smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CCN(c2cc(CNC(=O)NCCN3CCOCC3)ccn2)CC1 ZINC000047617824 483613132 /nfs/dbraw/zinc/61/31/32/483613132.db2.gz PGJBKYKHPATZCB-UHFFFAOYSA-N 2 0 362.478 -0.035 20 0 FBADRP NC(=O)C1CCN(C(=O)C[NH+]2CCC(C[NH+]3CCOCC3)CC2)CC1 ZINC000051957037 843819187 /nfs/dbraw/zinc/81/91/87/843819187.db2.gz NQNQSUNQMJZNOL-UHFFFAOYSA-N 2 0 352.479 -0.246 20 0 FBADRP CC(=O)N1CCN(C(=O)C[NH+]2CCC(C[NH+]3CCOCC3)CC2)CC1 ZINC000051957886 243112615 /nfs/dbraw/zinc/11/26/15/243112615.db2.gz GVWQAMOGIFIROQ-UHFFFAOYSA-N 2 0 352.479 -0.279 20 0 FBADRP CS(=O)(=O)NC[C@@H]1CCCN(CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000052694737 658940437 /nfs/dbraw/zinc/94/04/37/658940437.db2.gz DFAJNVGOWBAFES-AWEZNQCLSA-N 2 0 372.535 -0.009 20 0 FBADRP CS(=O)(=O)NC[C@H]1CCCN(CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000052694740 658940420 /nfs/dbraw/zinc/94/04/20/658940420.db2.gz DFAJNVGOWBAFES-CQSZACIVSA-N 2 0 372.535 -0.009 20 0 FBADRP CN(C)C(=O)CN1CCN(C(=O)C[NH+]2CCC(CC[NH+](C)C)CC2)CC1 ZINC000056523845 484524229 /nfs/dbraw/zinc/52/42/29/484524229.db2.gz HCPTWLIYUMXSSY-UHFFFAOYSA-N 2 0 367.538 -0.118 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C1CCC2(CC1)NC(=O)NC2=O ZINC000067304641 484452412 /nfs/dbraw/zinc/45/24/12/484452412.db2.gz MHIDYWDOFBGUEY-UHFFFAOYSA-N 2 0 353.467 -0.293 20 0 FBADRP COCCC[N@@H+]1CCCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000073251450 484470826 /nfs/dbraw/zinc/47/08/26/484470826.db2.gz SNVRVFFHONHQCD-MRXNPFEDSA-N 2 0 354.495 -0.033 20 0 FBADRP COCCC[N@@H+]1CCCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000073251454 484471212 /nfs/dbraw/zinc/47/12/12/484471212.db2.gz SNVRVFFHONHQCD-INIZCTEOSA-N 2 0 354.495 -0.033 20 0 FBADRP CC[NH+]1CCN(CC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000073378192 484471367 /nfs/dbraw/zinc/47/13/67/484471367.db2.gz MIVDTKBKKKUUND-UHFFFAOYSA-N 2 0 351.495 -0.610 20 0 FBADRP CC[NH+]1CCN(CCCNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000073697691 484473233 /nfs/dbraw/zinc/47/32/33/484473233.db2.gz FTKHRLYFLJUWOX-MRXNPFEDSA-N 2 0 353.511 -0.460 20 0 FBADRP CC[NH+]1CCN(CCCNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000073697695 484472194 /nfs/dbraw/zinc/47/21/94/484472194.db2.gz FTKHRLYFLJUWOX-INIZCTEOSA-N 2 0 353.511 -0.460 20 0 FBADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CC1=O ZINC000073729049 484473160 /nfs/dbraw/zinc/47/31/60/484473160.db2.gz YSRDKBFLZNMXJN-SJORKVTESA-N 2 0 365.522 -0.365 20 0 FBADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CC1=O ZINC000073729050 484472796 /nfs/dbraw/zinc/47/27/96/484472796.db2.gz YSRDKBFLZNMXJN-IAGOWNOFSA-N 2 0 365.522 -0.365 20 0 FBADRP C[NH+](C)CCN1C[C@H](C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)CC1=O ZINC000074029520 484473374 /nfs/dbraw/zinc/47/33/74/484473374.db2.gz IAWSDBNUWVQFIW-HZPDHXFCSA-N 2 0 352.479 -0.423 20 0 FBADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)CC1=O ZINC000074029522 484472543 /nfs/dbraw/zinc/47/25/43/484472543.db2.gz IAWSDBNUWVQFIW-CVEARBPZSA-N 2 0 352.479 -0.423 20 0 FBADRP C[NH+](C)CCN1C[C@H](C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)CC1=O ZINC000074029524 484473241 /nfs/dbraw/zinc/47/32/41/484473241.db2.gz IAWSDBNUWVQFIW-JKSUJKDBSA-N 2 0 352.479 -0.423 20 0 FBADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)CC1=O ZINC000074029526 484472581 /nfs/dbraw/zinc/47/25/81/484472581.db2.gz IAWSDBNUWVQFIW-HOTGVXAUSA-N 2 0 352.479 -0.423 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C1 ZINC000074188600 484721403 /nfs/dbraw/zinc/72/14/03/484721403.db2.gz RVSDNZADADJTOD-HZPDHXFCSA-N 2 0 354.495 -0.131 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C1 ZINC000074188603 484721366 /nfs/dbraw/zinc/72/13/66/484721366.db2.gz RVSDNZADADJTOD-CVEARBPZSA-N 2 0 354.495 -0.131 20 0 FBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000074363240 484472330 /nfs/dbraw/zinc/47/23/30/484472330.db2.gz IRPWNZKTOCVSNE-MRXNPFEDSA-N 2 0 353.511 -0.508 20 0 FBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000074363243 484472671 /nfs/dbraw/zinc/47/26/71/484472671.db2.gz IRPWNZKTOCVSNE-INIZCTEOSA-N 2 0 353.511 -0.508 20 0 FBADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000074676254 483877217 /nfs/dbraw/zinc/87/72/17/483877217.db2.gz WATYIBAEANVLES-MRXNPFEDSA-N 2 0 367.538 -0.119 20 0 FBADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000074676257 483877033 /nfs/dbraw/zinc/87/70/33/483877033.db2.gz WATYIBAEANVLES-INIZCTEOSA-N 2 0 367.538 -0.119 20 0 FBADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CCNS(C)(=O)=O)CC1 ZINC000076324701 484760586 /nfs/dbraw/zinc/76/05/86/484760586.db2.gz XVGLNHZMOFTDKX-UHFFFAOYSA-N 2 0 362.540 -0.048 20 0 FBADRP NC(=O)[C@H]1CCCN(C(=O)C[NH+]2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000076682788 483878313 /nfs/dbraw/zinc/87/83/13/483878313.db2.gz MFTORSLEOWYZEE-INIZCTEOSA-N 2 0 352.479 -0.246 20 0 FBADRP NC(=O)[C@@H]1CCCN(C(=O)C[NH+]2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000076682790 483877863 /nfs/dbraw/zinc/87/78/63/483877863.db2.gz MFTORSLEOWYZEE-MRXNPFEDSA-N 2 0 352.479 -0.246 20 0 FBADRP CCC[N@H+](CCO)CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000076951586 484764868 /nfs/dbraw/zinc/76/48/68/484764868.db2.gz NNRSEKZOGCQRSS-UHFFFAOYSA-N 2 0 361.450 -0.284 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000077595772 657416779 /nfs/dbraw/zinc/41/67/79/657416779.db2.gz QVFOJXJJBDWZEU-QGZVFWFLSA-N 2 0 353.511 -0.014 20 0 FBADRP CNC(=O)CN1CCC(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000077775756 484778285 /nfs/dbraw/zinc/77/82/85/484778285.db2.gz MWFZOHGLDSQLAW-UHFFFAOYSA-N 2 0 356.515 -0.668 20 0 FBADRP Cn1cc(N2CC[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C2=O)cn1 ZINC000077835566 484778691 /nfs/dbraw/zinc/77/86/91/484778691.db2.gz QDOYBQHCUZXBBN-HNNXBMFYSA-N 2 0 365.482 -0.340 20 0 FBADRP Cn1cc(N2CC[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C2=O)cn1 ZINC000077835569 484777639 /nfs/dbraw/zinc/77/76/39/484777639.db2.gz QDOYBQHCUZXBBN-OAHLLOKOSA-N 2 0 365.482 -0.340 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cn(CC(N)=O)nn1 ZINC000079886165 484817306 /nfs/dbraw/zinc/81/73/06/484817306.db2.gz TVBPACDXXXLINK-CYBMUJFWSA-N 2 0 351.455 -0.749 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cn(CC(N)=O)nn1 ZINC000079886174 484817675 /nfs/dbraw/zinc/81/76/75/484817675.db2.gz TVBPACDXXXLINK-ZDUSSCGKSA-N 2 0 351.455 -0.749 20 0 FBADRP CN(CCCNC(=O)CN1CCC[C@H](c2ncc[nH]2)C1)S(C)(=O)=O ZINC000080961464 484025298 /nfs/dbraw/zinc/02/52/98/484025298.db2.gz BXCGHAUTYWCJOE-ZDUSSCGKSA-N 2 0 357.480 -0.013 20 0 FBADRP CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)CC1 ZINC000080961565 484025082 /nfs/dbraw/zinc/02/50/82/484025082.db2.gz XEGXBTQLQUUAJE-HNNXBMFYSA-N 2 0 362.478 -0.179 20 0 FBADRP CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)CC1 ZINC000080961569 484024803 /nfs/dbraw/zinc/02/48/03/484024803.db2.gz XEGXBTQLQUUAJE-OAHLLOKOSA-N 2 0 362.478 -0.179 20 0 FBADRP Cc1cc(N2CCC([N@H+](C)CC(=O)N3CCNC(=O)C3)CC2)nc(C)n1 ZINC000080967741 484023660 /nfs/dbraw/zinc/02/36/60/484023660.db2.gz XGEIMXCMYCHVOB-UHFFFAOYSA-N 2 0 360.462 -0.048 20 0 FBADRP CN(CC[NH+](C)C)C(=O)c1cc(S(=O)(=O)N(C)CC[NH+](C)C)c[nH]1 ZINC000081060864 484023467 /nfs/dbraw/zinc/02/34/67/484023467.db2.gz GZAKUBFPQSDYAE-UHFFFAOYSA-N 2 0 359.496 -0.170 20 0 FBADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCN(CC[NH+]3CCCC3)CC2)CC1=O ZINC000081235337 484027174 /nfs/dbraw/zinc/02/71/74/484027174.db2.gz RULRYZOFKQHNII-QGZVFWFLSA-N 2 0 365.522 -0.364 20 0 FBADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CCN(CC[NH+]3CCCC3)CC2)CC1=O ZINC000081235339 484025970 /nfs/dbraw/zinc/02/59/70/484025970.db2.gz RULRYZOFKQHNII-KRWDZBQOSA-N 2 0 365.522 -0.364 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)CN2CC[NH+](CC)CC2)CC1 ZINC000081348928 484026779 /nfs/dbraw/zinc/02/67/79/484026779.db2.gz QUZCFGVNDLJFKU-UHFFFAOYSA-N 2 0 353.511 -0.364 20 0 FBADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCCN(CC[NH+](C)C)CC2)CC1=O ZINC000081354823 483801424 /nfs/dbraw/zinc/80/14/24/483801424.db2.gz LSVBGHVHFKDCTB-MRXNPFEDSA-N 2 0 353.511 -0.508 20 0 FBADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CCCN(CC[NH+](C)C)CC2)CC1=O ZINC000081354824 484026649 /nfs/dbraw/zinc/02/66/49/484026649.db2.gz LSVBGHVHFKDCTB-INIZCTEOSA-N 2 0 353.511 -0.508 20 0 FBADRP CN(C)CC[NH+]1CCC(CNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000081397021 484835021 /nfs/dbraw/zinc/83/50/21/484835021.db2.gz WFMZOTMFGKWWQX-QGZVFWFLSA-N 2 0 367.538 -0.214 20 0 FBADRP CN(C)CC[NH+]1CCC(CNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000081397022 484835183 /nfs/dbraw/zinc/83/51/83/484835183.db2.gz WFMZOTMFGKWWQX-KRWDZBQOSA-N 2 0 367.538 -0.214 20 0 FBADRP C[NH+](C)CCN1C[C@H](C(=O)N2CC[NH+](C3CCOCC3)CC2)CC1=O ZINC000082991899 484030838 /nfs/dbraw/zinc/03/08/38/484030838.db2.gz FEYSCPPUGVJHJV-OAHLLOKOSA-N 2 0 352.479 -0.280 20 0 FBADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CC[NH+](C3CCOCC3)CC2)CC1=O ZINC000082991901 484032235 /nfs/dbraw/zinc/03/22/35/484032235.db2.gz FEYSCPPUGVJHJV-HNNXBMFYSA-N 2 0 352.479 -0.280 20 0 FBADRP CN(C(=O)C1(O)CCCC1)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000086584111 485222830 /nfs/dbraw/zinc/22/28/30/485222830.db2.gz NYVYZNBQLIPEDX-UHFFFAOYSA-N 2 0 366.506 -0.012 20 0 FBADRP CCN1CCO[C@H](C(=O)N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)C1 ZINC000088305275 484035925 /nfs/dbraw/zinc/03/59/25/484035925.db2.gz VKUATOUVDFHCTO-HOTGVXAUSA-N 2 0 352.479 -0.138 20 0 FBADRP CCN1CCO[C@@H](C(=O)N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)C1 ZINC000088305276 484035694 /nfs/dbraw/zinc/03/56/94/484035694.db2.gz VKUATOUVDFHCTO-JKSUJKDBSA-N 2 0 352.479 -0.138 20 0 FBADRP Nc1nc(-n2cccn2)cc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)[nH+]1 ZINC000092895027 484042906 /nfs/dbraw/zinc/04/29/06/484042906.db2.gz KMXQIAOWPBVBTR-UHFFFAOYSA-N 2 0 356.434 -0.011 20 0 FBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2cc(-n3cccn3)nc(N)[nH+]2)CC1 ZINC000092922843 484043037 /nfs/dbraw/zinc/04/30/37/484043037.db2.gz VHIQVESNCFQUPB-ZDUSSCGKSA-N 2 0 356.434 -0.013 20 0 FBADRP CC[NH+]1CCC(NC(=O)CN2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000103151016 484583006 /nfs/dbraw/zinc/58/30/06/484583006.db2.gz XHCPDXZDUMJUMD-UHFFFAOYSA-N 2 0 365.522 -0.173 20 0 FBADRP C[C@@H]1C[N@@H+](C[C@H](O)CN2CCN(C(=O)C[NH+]3CCCC3)CC2)C[C@H](C)O1 ZINC000103168789 484472186 /nfs/dbraw/zinc/47/21/86/484472186.db2.gz BQTGPBLQEPRYTR-FGTMMUONSA-N 2 0 368.522 -0.304 20 0 FBADRP C[C@@H]1C[NH+](C[C@H](O)CN2CCN(C(=O)C[NH+]3CCCC3)CC2)C[C@@H](C)O1 ZINC000103168793 484472317 /nfs/dbraw/zinc/47/23/17/484472317.db2.gz BQTGPBLQEPRYTR-KZNAEPCWSA-N 2 0 368.522 -0.304 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000103212883 484472076 /nfs/dbraw/zinc/47/20/76/484472076.db2.gz GOEBISUXHAHRRG-UHFFFAOYSA-N 2 0 361.446 -0.358 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000104102658 484476153 /nfs/dbraw/zinc/47/61/53/484476153.db2.gz CEYPFQMFBDACFM-UHFFFAOYSA-N 2 0 367.479 -0.224 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCN2CC[NH+](C)CC2)CC1=O ZINC000105317643 535552913 /nfs/dbraw/zinc/55/29/13/535552913.db2.gz IKMXXEWLGARCMD-IAGOWNOFSA-N 2 0 365.522 -0.317 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCCN2CC[NH+](C)CC2)CC1=O ZINC000105317650 243136876 /nfs/dbraw/zinc/13/68/76/243136876.db2.gz IKMXXEWLGARCMD-SJORKVTESA-N 2 0 365.522 -0.317 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000106386126 485176962 /nfs/dbraw/zinc/17/69/62/485176962.db2.gz LFRFVJCGQQZTHZ-KSZLIROESA-N 2 0 370.538 -0.058 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000106386128 485176558 /nfs/dbraw/zinc/17/65/58/485176558.db2.gz LFRFVJCGQQZTHZ-FGTMMUONSA-N 2 0 370.538 -0.058 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000106386130 485177286 /nfs/dbraw/zinc/17/72/86/485177286.db2.gz LFRFVJCGQQZTHZ-KURKYZTESA-N 2 0 370.538 -0.058 20 0 FBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000106526710 484501271 /nfs/dbraw/zinc/50/12/71/484501271.db2.gz ZHIHCIRJRLLGNB-INIZCTEOSA-N 2 0 354.543 -0.053 20 0 FBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000106526712 484500878 /nfs/dbraw/zinc/50/08/78/484500878.db2.gz ZHIHCIRJRLLGNB-MRXNPFEDSA-N 2 0 354.543 -0.053 20 0 FBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000106900523 484507033 /nfs/dbraw/zinc/50/70/33/484507033.db2.gz REQPZVVSQFTLRA-HOTGVXAUSA-N 2 0 368.526 -0.491 20 0 FBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000106900524 484506534 /nfs/dbraw/zinc/50/65/34/484506534.db2.gz REQPZVVSQFTLRA-CVEARBPZSA-N 2 0 368.526 -0.491 20 0 FBADRP CNC(=O)[C@H]1CCC[N@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000111269853 243157113 /nfs/dbraw/zinc/15/71/13/243157113.db2.gz FYKLGUAMKWIFQP-JKSUJKDBSA-N 2 0 354.495 -0.083 20 0 FBADRP CNC(=O)[C@H]1CCC[N@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000111269855 243154799 /nfs/dbraw/zinc/15/47/99/243154799.db2.gz FYKLGUAMKWIFQP-HOTGVXAUSA-N 2 0 354.495 -0.083 20 0 FBADRP C[NH+](C)CCNC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000118094096 243160399 /nfs/dbraw/zinc/16/03/99/243160399.db2.gz JRHRUYPWSWAFKJ-UHFFFAOYSA-N 2 0 363.418 -0.228 20 0 FBADRP C[NH+](C)C[C@](C)(O)CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000121030869 485245346 /nfs/dbraw/zinc/24/53/46/485245346.db2.gz KPNMUJILCYGAHE-GOSISDBHSA-N 2 0 364.494 -0.055 20 0 FBADRP C[NH+](C)C[C@@](C)(O)CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000121030976 485245033 /nfs/dbraw/zinc/24/50/33/485245033.db2.gz KPNMUJILCYGAHE-SFHVURJKSA-N 2 0 364.494 -0.055 20 0 FBADRP C[NH+](C)C[C@](C)(O)CNC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000121401934 535972313 /nfs/dbraw/zinc/97/23/13/535972313.db2.gz AIRQAGUFWWCIFZ-GOSISDBHSA-N 2 0 364.494 -0.055 20 0 FBADRP C[NH+](C)C[C@@](C)(O)CNC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000121402062 243168832 /nfs/dbraw/zinc/16/88/32/243168832.db2.gz AIRQAGUFWWCIFZ-SFHVURJKSA-N 2 0 364.494 -0.055 20 0 FBADRP OCCC[NH+]1CCN(c2cc(N3CC[NH+](CCCO)CC3)ncn2)CC1 ZINC000123067087 485267587 /nfs/dbraw/zinc/26/75/87/485267587.db2.gz PUSUQXRWLGNLMX-UHFFFAOYSA-N 2 0 364.494 -0.515 20 0 FBADRP C[NH+](C)C[C@](C)(O)CNC(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000123844300 535972213 /nfs/dbraw/zinc/97/22/13/535972213.db2.gz IBCSKQOTNBKLJT-GOSISDBHSA-N 2 0 364.494 -0.055 20 0 FBADRP C[NH+](C)C[C@@](C)(O)CNC(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000123844517 243168938 /nfs/dbraw/zinc/16/89/38/243168938.db2.gz IBCSKQOTNBKLJT-SFHVURJKSA-N 2 0 364.494 -0.055 20 0 FBADRP C[C@H]1C[C@H](N(C)CC(=O)N2CCN(CC(=O)N(C)C)CC2)CC[N@@H+]1C ZINC000123897157 484518752 /nfs/dbraw/zinc/51/87/52/484518752.db2.gz TZOSGWMBIJWRET-JKSUJKDBSA-N 2 0 353.511 -0.367 20 0 FBADRP C[C@@H]1C[C@@H](N(C)CC(=O)N2CCN(CC(=O)N(C)C)CC2)CC[N@@H+]1C ZINC000123897430 484519296 /nfs/dbraw/zinc/51/92/96/484519296.db2.gz TZOSGWMBIJWRET-CVEARBPZSA-N 2 0 353.511 -0.367 20 0 FBADRP C[C@H]1C[C@@H](N(C)CC(=O)N2CCN(CC(=O)N(C)C)CC2)CC[N@@H+]1C ZINC000123897658 484518567 /nfs/dbraw/zinc/51/85/67/484518567.db2.gz TZOSGWMBIJWRET-HOTGVXAUSA-N 2 0 353.511 -0.367 20 0 FBADRP C[NH+]1CCCN(C(=O)[C@@]2(CC(=O)N3CCC[N@@H+](C)CC3)CC[NH2+]C2)CC1 ZINC000125300222 484523596 /nfs/dbraw/zinc/52/35/96/484523596.db2.gz BDNVWWHNBVRVNK-LJQANCHMSA-N 3 0 365.522 -0.316 20 0 FBADRP C[NH+]1CCCN(C(=O)[C@]2(CC(=O)N3CCC[N@@H+](C)CC3)CC[NH2+]C2)CC1 ZINC000125300457 484523150 /nfs/dbraw/zinc/52/31/50/484523150.db2.gz BDNVWWHNBVRVNK-IBGZPJMESA-N 3 0 365.522 -0.316 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cn1ccc(=O)[nH]c1=O ZINC000125560328 484524987 /nfs/dbraw/zinc/52/49/87/484524987.db2.gz LXNRIHQUYLINMX-CQSZACIVSA-N 2 0 351.451 -0.589 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cn1ccc(=O)[nH]c1=O ZINC000125560592 484524481 /nfs/dbraw/zinc/52/44/81/484524481.db2.gz LXNRIHQUYLINMX-AWEZNQCLSA-N 2 0 351.451 -0.589 20 0 FBADRP CC[NH+]1CCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)CC1 ZINC000128020983 484558355 /nfs/dbraw/zinc/55/83/55/484558355.db2.gz USXPGIIJESJRHO-INIZCTEOSA-N 2 0 355.527 -0.167 20 0 FBADRP C[N@H+](CCCN1CC[NH+](C)CC1)CC(=O)N1CCC2(CC1)OCCO2 ZINC000129791499 661572873 /nfs/dbraw/zinc/57/28/73/661572873.db2.gz CTPUIZVNNQDRDW-UHFFFAOYSA-N 2 0 354.495 -0.079 20 0 FBADRP Cc1ccn(C)c(=O)c1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000130534062 484662993 /nfs/dbraw/zinc/66/29/93/484662993.db2.gz WCVCTMROZVEGKC-UHFFFAOYSA-N 2 0 351.451 -0.416 20 0 FBADRP Cc1nccn1CCC[N@@H+](C)CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000130543298 484662434 /nfs/dbraw/zinc/66/24/34/484662434.db2.gz GLPVCJGRJCMZHI-UHFFFAOYSA-N 2 0 364.494 -0.254 20 0 FBADRP CCn1cc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccc1=O ZINC000130543973 484662790 /nfs/dbraw/zinc/66/27/90/484662790.db2.gz YQEPPDLKSQXYCS-UHFFFAOYSA-N 2 0 351.451 -0.242 20 0 FBADRP Cc1cc(=O)n(C)cc1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000130589727 484665253 /nfs/dbraw/zinc/66/52/53/484665253.db2.gz OXILZBMXRNMBSE-UHFFFAOYSA-N 2 0 351.451 -0.416 20 0 FBADRP C[NH+]1CCN(c2cc(C(=O)N3CCC[C@H](C(=O)NCC[NH3+])C3)ccn2)CC1 ZINC000132169906 536418953 /nfs/dbraw/zinc/41/89/53/536418953.db2.gz PDOFYJHSULCOSM-INIZCTEOSA-N 2 0 374.489 -0.240 20 0 FBADRP C[NH+]1CCN(c2cc(C(=O)N3CCC[C@@H](C(=O)NCC[NH3+])C3)ccn2)CC1 ZINC000132170079 536419148 /nfs/dbraw/zinc/41/91/48/536419148.db2.gz PDOFYJHSULCOSM-MRXNPFEDSA-N 2 0 374.489 -0.240 20 0 FBADRP Cn1c2ncn(CCN3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)c2c(=O)n(C)c1=O ZINC000139987890 243181997 /nfs/dbraw/zinc/18/19/97/243181997.db2.gz XJOOCZWBYCZARE-ZIAGYGMSSA-N 2 0 360.462 -0.150 20 0 FBADRP Cn1c2ncn(CCN3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)c2c(=O)n(C)c1=O ZINC000139988037 243183641 /nfs/dbraw/zinc/18/36/41/243183641.db2.gz XJOOCZWBYCZARE-KGLIPLIRSA-N 2 0 360.462 -0.150 20 0 FBADRP C[C@@H](CNC(=O)N1CC[NH+](CC(C)(C)O)CC1)C[NH+]1CCN(C)CC1 ZINC000151976175 243188117 /nfs/dbraw/zinc/18/81/17/243188117.db2.gz ZJNWTUINHVTGSO-INIZCTEOSA-N 2 0 355.527 -0.032 20 0 FBADRP C[C@H](CNC(=O)N1CC[NH+](CC(C)(C)O)CC1)C[NH+]1CCN(C)CC1 ZINC000151976250 243186014 /nfs/dbraw/zinc/18/60/14/243186014.db2.gz ZJNWTUINHVTGSO-MRXNPFEDSA-N 2 0 355.527 -0.032 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@](C)(O)C[NH+](C)C)CC1=O ZINC000152633352 535554326 /nfs/dbraw/zinc/55/43/26/535554326.db2.gz HSCLUMRWLDKTHY-RKVPGOIHSA-N 2 0 354.495 -0.252 20 0 FBADRP O=C(CN(CCO)CCN1CCOCC1)NC1CC[NH+](C2CC2)CC1 ZINC000152981608 660092241 /nfs/dbraw/zinc/09/22/41/660092241.db2.gz HTGDASLADFZHRN-UHFFFAOYSA-N 2 0 354.495 -0.644 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC000153201523 485185489 /nfs/dbraw/zinc/18/54/89/485185489.db2.gz DLNXDDGKMAENST-CQSZACIVSA-N 2 0 359.496 -0.042 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC000153201660 485184881 /nfs/dbraw/zinc/18/48/81/485184881.db2.gz DLNXDDGKMAENST-AWEZNQCLSA-N 2 0 359.496 -0.042 20 0 FBADRP CC[NH+]1CCN([C@@H]2CCN(CC(=O)NCC(=O)NC(C)(C)C)C2)CC1 ZINC000155662966 484084458 /nfs/dbraw/zinc/08/44/58/484084458.db2.gz SBPVEFOSGNQVQM-OAHLLOKOSA-N 2 0 353.511 -0.271 20 0 FBADRP CC[NH+]1CCN([C@H]2CCN(CC(=O)NCC(=O)NC(C)(C)C)C2)CC1 ZINC000155663059 484085014 /nfs/dbraw/zinc/08/50/14/484085014.db2.gz SBPVEFOSGNQVQM-HNNXBMFYSA-N 2 0 353.511 -0.271 20 0 FBADRP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000156003462 485259320 /nfs/dbraw/zinc/25/93/20/485259320.db2.gz DVXLSZLRLICREH-JKSUJKDBSA-N 2 0 353.511 -0.461 20 0 FBADRP CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000156003585 485259436 /nfs/dbraw/zinc/25/94/36/485259436.db2.gz DVXLSZLRLICREH-HZPDHXFCSA-N 2 0 353.511 -0.461 20 0 FBADRP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000156003705 485259291 /nfs/dbraw/zinc/25/92/91/485259291.db2.gz DVXLSZLRLICREH-HOTGVXAUSA-N 2 0 353.511 -0.461 20 0 FBADRP CC[NH+]1CCN([C@H](C)CNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000156003823 485259697 /nfs/dbraw/zinc/25/96/97/485259697.db2.gz DVXLSZLRLICREH-CVEARBPZSA-N 2 0 353.511 -0.461 20 0 FBADRP CN(CCN1CCOCC1)CC1(C[N@H+](C)CCN2CCOCC2)COC1 ZINC000157995370 485279101 /nfs/dbraw/zinc/27/91/01/485279101.db2.gz DBEAZRYWCFDTAO-UHFFFAOYSA-N 2 0 370.538 -0.469 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCCN2CC[NH2+]CC2)CC1=O ZINC000158763066 484306707 /nfs/dbraw/zinc/30/67/07/484306707.db2.gz FPIBBDMPDZYXCO-IAGOWNOFSA-N 2 0 365.522 -0.269 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCCCN2CC[NH2+]CC2)CC1=O ZINC000158763230 484307191 /nfs/dbraw/zinc/30/71/91/484307191.db2.gz FPIBBDMPDZYXCO-SJORKVTESA-N 2 0 365.522 -0.269 20 0 FBADRP Cn1cc(S(=O)(=O)NCC[N@H+](C)CCCN2CC[NH+](C)CC2)cn1 ZINC000162000038 484206416 /nfs/dbraw/zinc/20/64/16/484206416.db2.gz UNPSXSHLNPLZDA-UHFFFAOYSA-N 2 0 358.512 -0.732 20 0 FBADRP CC[NH+]1CCC(NC(=O)CN2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000162337011 243201243 /nfs/dbraw/zinc/20/12/43/243201243.db2.gz IWMMXZQRMFQOLL-KRWDZBQOSA-N 2 0 365.522 -0.175 20 0 FBADRP CC[NH+]1CCC(NC(=O)CN2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000162337126 243202084 /nfs/dbraw/zinc/20/20/84/243202084.db2.gz IWMMXZQRMFQOLL-QGZVFWFLSA-N 2 0 365.522 -0.175 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000171153032 535118494 /nfs/dbraw/zinc/11/84/94/535118494.db2.gz VRNQGOFABMFGKP-QGZVFWFLSA-N 2 0 370.538 -0.152 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000171153037 535110447 /nfs/dbraw/zinc/11/04/47/535110447.db2.gz VRNQGOFABMFGKP-KRWDZBQOSA-N 2 0 370.538 -0.152 20 0 FBADRP CN(Cc1cnn(C)c1)C(=O)C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000171561494 484072514 /nfs/dbraw/zinc/07/25/14/484072514.db2.gz CVWAAVCDDOQBAQ-UHFFFAOYSA-N 2 0 364.494 -0.232 20 0 FBADRP CCN1CCN(C(=O)[C@@H](C)[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)CC1 ZINC000171658645 484008220 /nfs/dbraw/zinc/00/82/20/484008220.db2.gz WYLADQBXDOFBRL-MRXNPFEDSA-N 2 0 367.538 -0.071 20 0 FBADRP CCN1CCN(C(=O)[C@H](C)[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)CC1 ZINC000171658648 484008638 /nfs/dbraw/zinc/00/86/38/484008638.db2.gz WYLADQBXDOFBRL-INIZCTEOSA-N 2 0 367.538 -0.071 20 0 FBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCCC(=O)N1CCN(C)CC1 ZINC000171711052 484007857 /nfs/dbraw/zinc/00/78/57/484007857.db2.gz NVKJDSOHFJUAOK-HNNXBMFYSA-N 2 0 354.499 -0.914 20 0 FBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCCC(=O)N1CCN(C)CC1 ZINC000171711055 484008338 /nfs/dbraw/zinc/00/83/38/484008338.db2.gz NVKJDSOHFJUAOK-OAHLLOKOSA-N 2 0 354.499 -0.914 20 0 FBADRP CC(C)(CNC(=O)CN1CC[C@H](C[NH+]2CCOCC2)C1)N1CCOCC1 ZINC000172934033 484030775 /nfs/dbraw/zinc/03/07/75/484030775.db2.gz NUGKBMIVDMOHJB-QGZVFWFLSA-N 2 0 368.522 -0.133 20 0 FBADRP CC(C)(CNC(=O)CN1CC[C@@H](C[NH+]2CCOCC2)C1)N1CCOCC1 ZINC000172934041 484030638 /nfs/dbraw/zinc/03/06/38/484030638.db2.gz NUGKBMIVDMOHJB-KRWDZBQOSA-N 2 0 368.522 -0.133 20 0 FBADRP CN1CCC([NH+]2CCC(NC(=O)C(C)(C)NS(C)(=O)=O)CC2)CC1 ZINC000173348900 243213864 /nfs/dbraw/zinc/21/38/64/243213864.db2.gz OVVDUKCXODKYGR-UHFFFAOYSA-N 2 0 360.524 -0.011 20 0 FBADRP Cn1cc(S(=O)(=O)NCCN2CCC(C[NH+]3CCOCC3)CC2)cn1 ZINC000173538782 243213163 /nfs/dbraw/zinc/21/31/63/243213163.db2.gz ZJKAMMQLKVJQPR-UHFFFAOYSA-N 2 0 371.507 -0.257 20 0 FBADRP CC[C@@H](CO)[NH+]1CCN(CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000174136771 243216034 /nfs/dbraw/zinc/21/60/34/243216034.db2.gz FQOFKZYGSPUYCN-ZWKOTPCHSA-N 2 0 370.538 -0.152 20 0 FBADRP CC[C@H](CO)[NH+]1CCN(CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000174136785 243218292 /nfs/dbraw/zinc/21/82/92/243218292.db2.gz FQOFKZYGSPUYCN-QZTJIDSGSA-N 2 0 370.538 -0.152 20 0 FBADRP CC[C@@H](CO)[NH+]1CCN(CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000174136798 243218435 /nfs/dbraw/zinc/21/84/35/243218435.db2.gz FQOFKZYGSPUYCN-ROUUACIJSA-N 2 0 370.538 -0.152 20 0 FBADRP CC[C@H](CO)[NH+]1CCN(CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000174136813 243218541 /nfs/dbraw/zinc/21/85/41/243218541.db2.gz FQOFKZYGSPUYCN-MSOLQXFVSA-N 2 0 370.538 -0.152 20 0 FBADRP CCN1CCO[C@@H](C(=O)NCCCN2CCN(c3ncccn3)CC2)C1 ZINC000174534942 243215198 /nfs/dbraw/zinc/21/51/98/243215198.db2.gz FMJQZLZELIDZOJ-MRXNPFEDSA-N 2 0 362.478 -0.174 20 0 FBADRP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+](C)CCCN2CC[NH+](C)CC2)CC1 ZINC000174724283 243216303 /nfs/dbraw/zinc/21/63/03/243216303.db2.gz HMXBTLPVZNAETC-INIZCTEOSA-N 2 0 353.511 -0.365 20 0 FBADRP CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+](C)CCCN2CC[NH+](C)CC2)CC1 ZINC000174724294 243218762 /nfs/dbraw/zinc/21/87/62/243218762.db2.gz HMXBTLPVZNAETC-MRXNPFEDSA-N 2 0 353.511 -0.365 20 0 FBADRP C[N@H+](CCCN1CC[NH+](C)CC1)CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000174724566 484048204 /nfs/dbraw/zinc/04/82/04/484048204.db2.gz DLLCPAPOXJWZTF-UHFFFAOYSA-N 2 0 365.522 -0.364 20 0 FBADRP C[N@H+](CCCN1CC[NH+](C)CC1)CC(=O)NC(=O)NCC(F)(F)F ZINC000174728851 484048101 /nfs/dbraw/zinc/04/81/01/484048101.db2.gz RCCRGGJFSGKNEX-UHFFFAOYSA-N 2 0 353.389 -0.056 20 0 FBADRP C[C@@H](CNC(=O)NCC1CC[NH+](CCO)CC1)C[NH+]1CCN(C)CC1 ZINC000174824909 484203929 /nfs/dbraw/zinc/20/39/29/484203929.db2.gz YKXBLRLGYARKBV-INIZCTEOSA-N 2 0 355.527 -0.127 20 0 FBADRP C[C@H](CNC(=O)NCC1CC[NH+](CCO)CC1)C[NH+]1CCN(C)CC1 ZINC000174824921 484203979 /nfs/dbraw/zinc/20/39/79/484203979.db2.gz YKXBLRLGYARKBV-MRXNPFEDSA-N 2 0 355.527 -0.127 20 0 FBADRP CN1CCN(C(=O)CCNC(=O)NCCN2CCC([NH+](C)C)CC2)CC1 ZINC000175601625 484055247 /nfs/dbraw/zinc/05/52/47/484055247.db2.gz JFJSOIPWAILMCC-UHFFFAOYSA-N 2 0 368.526 -0.524 20 0 FBADRP O=C1NC[C@@H]2C[NH+](CCCCC[N@@H+]3CCN4C(=O)NC[C@H]4C3)CCN12 ZINC000175877996 243221182 /nfs/dbraw/zinc/22/11/82/243221182.db2.gz ILALCDZQRDEVDA-GASCZTMLSA-N 2 0 350.467 -0.425 20 0 FBADRP O=C1NC[C@@H]2C[NH+](CCCCC[N@@H+]3CCN4C(=O)NC[C@@H]4C3)CCN12 ZINC000175878004 243221489 /nfs/dbraw/zinc/22/14/89/243221489.db2.gz ILALCDZQRDEVDA-HUUCEWRRSA-N 2 0 350.467 -0.425 20 0 FBADRP O=C1NC[C@@H]2C[NH+](CCCCCC[N@@H+]3CCN4C(=O)NC[C@H]4C3)CCN12 ZINC000175925583 243220918 /nfs/dbraw/zinc/22/09/18/243220918.db2.gz CCBICUYVAVAUNQ-IYBDPMFKSA-N 2 0 364.494 -0.034 20 0 FBADRP O=C1NC[C@@H]2C[NH+](CCCCCC[N@@H+]3CCN4C(=O)NC[C@@H]4C3)CCN12 ZINC000175925603 243222447 /nfs/dbraw/zinc/22/24/47/243222447.db2.gz CCBICUYVAVAUNQ-HZPDHXFCSA-N 2 0 364.494 -0.034 20 0 FBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000176163901 483535913 /nfs/dbraw/zinc/53/59/13/483535913.db2.gz YFNNCGHJBRVENM-IRXDYDNUSA-N 2 0 353.511 -0.014 20 0 FBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000176163918 243219505 /nfs/dbraw/zinc/21/95/05/243219505.db2.gz YFNNCGHJBRVENM-SJORKVTESA-N 2 0 353.511 -0.014 20 0 FBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000176163930 483536992 /nfs/dbraw/zinc/53/69/92/483536992.db2.gz YFNNCGHJBRVENM-DLBZAZTESA-N 2 0 353.511 -0.014 20 0 FBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000176163945 243220776 /nfs/dbraw/zinc/22/07/76/243220776.db2.gz YFNNCGHJBRVENM-IAGOWNOFSA-N 2 0 353.511 -0.014 20 0 FBADRP C[NH+](C)CCN1C[C@H](C(=O)NCCN2CCC([NH+](C)C)CC2)CC1=O ZINC000177118227 484224883 /nfs/dbraw/zinc/22/48/83/484224883.db2.gz DOEPAYMEJGXRPY-OAHLLOKOSA-N 2 0 353.511 -0.461 20 0 FBADRP C[NH+](C)CCN1C[C@@H](C(=O)NCCN2CCC([NH+](C)C)CC2)CC1=O ZINC000177118242 484225146 /nfs/dbraw/zinc/22/51/46/484225146.db2.gz DOEPAYMEJGXRPY-HNNXBMFYSA-N 2 0 353.511 -0.461 20 0 FBADRP CNC(=O)[C@@H]1CCC[NH+](CCOCC[N@H+]2CCC[C@H](C(=O)NC)C2)C1 ZINC000178699684 484234760 /nfs/dbraw/zinc/23/47/60/484234760.db2.gz HERBDIVBSRRIBY-IYBDPMFKSA-N 2 0 354.495 -0.081 20 0 FBADRP CNC(=O)[C@H]1CCC[NH+](CCOCC[N@H+]2CCC[C@H](C(=O)NC)C2)C1 ZINC000178699699 484234211 /nfs/dbraw/zinc/23/42/11/484234211.db2.gz HERBDIVBSRRIBY-HOTGVXAUSA-N 2 0 354.495 -0.081 20 0 FBADRP C[C@@H]1CN(S(=O)(=O)N2CC[NH+](CC3CC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000178958825 243229645 /nfs/dbraw/zinc/22/96/45/243229645.db2.gz BAHUHISQTQBDQL-GASCZTMLSA-N 2 0 360.524 -0.042 20 0 FBADRP C[C@H]1CN(S(=O)(=O)N2CC[NH+](CC3CC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000178958833 243229627 /nfs/dbraw/zinc/22/96/27/243229627.db2.gz BAHUHISQTQBDQL-GJZGRUSLSA-N 2 0 360.524 -0.042 20 0 FBADRP C[C@@H]1CN(S(=O)(=O)N2CC[NH+](CC3CC[NH2+]CC3)CC2)C[C@@H](C)O1 ZINC000178958843 243231539 /nfs/dbraw/zinc/23/15/39/243231539.db2.gz BAHUHISQTQBDQL-HUUCEWRRSA-N 2 0 360.524 -0.042 20 0 FBADRP COC(=O)Cn1cc(CC[N@H+](C)CCN(C)C2CC[NH+](C)CC2)nn1 ZINC000180965084 484212497 /nfs/dbraw/zinc/21/24/97/484212497.db2.gz IOVUBBPQZMUCHC-UHFFFAOYSA-N 2 0 352.483 -0.049 20 0 FBADRP CNC(=O)[C@H]1CCC[NH+](CC2(C[N@H+]3CCC[C@H](C(=O)NC)C3)COC2)C1 ZINC000182163056 484264698 /nfs/dbraw/zinc/26/46/98/484264698.db2.gz MWMRPOWLYVLMFJ-HOTGVXAUSA-N 2 0 366.506 -0.081 20 0 FBADRP COC(=O)CCNC(=O)CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182613252 484502410 /nfs/dbraw/zinc/50/24/10/484502410.db2.gz LDFOHLGXAFBKLK-XYPWUTKMSA-N 2 0 352.479 -0.092 20 0 FBADRP O=C(C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1)N1CCNC(=O)C1 ZINC000182958857 243238401 /nfs/dbraw/zinc/23/84/01/243238401.db2.gz OOMYIQPCMJWVPC-UHFFFAOYSA-N 2 0 352.479 -0.231 20 0 FBADRP CN(CCC[NH+]1CCN(C)CC1)CC(=O)NCCCN1CCCC1=O ZINC000182962637 484287446 /nfs/dbraw/zinc/28/74/46/484287446.db2.gz IZRFIZMTZINJOZ-UHFFFAOYSA-N 2 0 353.511 -0.316 20 0 FBADRP CC[N@H+](CCO)CCNC(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[NH+]2CC)C1 ZINC000183919372 243240306 /nfs/dbraw/zinc/24/03/06/243240306.db2.gz JMOGVWLBVSBQKG-HZPDHXFCSA-N 2 0 354.495 -0.250 20 0 FBADRP CC[N@H+](CCO)CCNC(=O)[C@@H]1CC(=O)N(C[C@@H]2CCC[NH+]2CC)C1 ZINC000183919391 243237713 /nfs/dbraw/zinc/23/77/13/243237713.db2.gz JMOGVWLBVSBQKG-CVEARBPZSA-N 2 0 354.495 -0.250 20 0 FBADRP CN1CC[NH+](CCC(C)(C)NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000184169673 484290853 /nfs/dbraw/zinc/29/08/53/484290853.db2.gz NEGXLNAXRYEYSV-MRXNPFEDSA-N 2 0 367.538 -0.071 20 0 FBADRP CN1CC[NH+](CCC(C)(C)NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000184169694 484289139 /nfs/dbraw/zinc/28/91/39/484289139.db2.gz NEGXLNAXRYEYSV-INIZCTEOSA-N 2 0 367.538 -0.071 20 0 FBADRP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NCCC(=O)N1CCN(C)CC1 ZINC000185136706 484290748 /nfs/dbraw/zinc/29/07/48/484290748.db2.gz RDBSOSJMTRBYPQ-INIZCTEOSA-N 2 0 368.526 -0.524 20 0 FBADRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCCC(=O)N1CCN(C)CC1 ZINC000185136725 484290217 /nfs/dbraw/zinc/29/02/17/484290217.db2.gz RDBSOSJMTRBYPQ-MRXNPFEDSA-N 2 0 368.526 -0.524 20 0 FBADRP OCC[NH+]1CCCN(c2cc(N3CCC[N@@H+](CCO)CC3)ncn2)CC1 ZINC000185358888 243244519 /nfs/dbraw/zinc/24/45/19/243244519.db2.gz YCENAWQNFALFDP-UHFFFAOYSA-N 2 0 364.494 -0.515 20 0 FBADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000186973747 483842505 /nfs/dbraw/zinc/84/25/05/483842505.db2.gz YSXDUUDZBWCKFY-HUUCEWRRSA-N 2 0 354.495 -0.300 20 0 FBADRP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000186973763 483842698 /nfs/dbraw/zinc/84/26/98/483842698.db2.gz YSXDUUDZBWCKFY-LSDHHAIUSA-N 2 0 354.495 -0.300 20 0 FBADRP CC[N@H+](CCO)CCNC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000187104663 243249172 /nfs/dbraw/zinc/24/91/72/243249172.db2.gz NHMQOGJJXCSVMN-UHFFFAOYSA-N 2 0 364.494 -0.053 20 0 FBADRP CC[N@H+](CCO)CCNC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000187114563 243246457 /nfs/dbraw/zinc/24/64/57/243246457.db2.gz DSTCCCCIHSEGIZ-UHFFFAOYSA-N 2 0 364.494 -0.053 20 0 FBADRP CC[N@H+](CCO)CCNC(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000187233626 243246565 /nfs/dbraw/zinc/24/65/65/243246565.db2.gz SZPAFVNEXCAMKQ-UHFFFAOYSA-N 2 0 364.494 -0.053 20 0 FBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)C1 ZINC000187982855 484367275 /nfs/dbraw/zinc/36/72/75/484367275.db2.gz YBEMOYASPSXHDC-GVDBMIGSSA-N 2 0 354.495 -0.383 20 0 FBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)C1 ZINC000187982884 484367578 /nfs/dbraw/zinc/36/75/78/484367578.db2.gz YBEMOYASPSXHDC-YESZJQIVSA-N 2 0 354.495 -0.383 20 0 FBADRP C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC[N@@H+]1CC(C)(C)O ZINC000188743265 484002260 /nfs/dbraw/zinc/00/22/60/484002260.db2.gz ARMGAHVJXXXKRE-HUUCEWRRSA-N 2 0 354.495 -0.300 20 0 FBADRP C[C@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC[N@@H+]1CC(C)(C)O ZINC000188743287 484002956 /nfs/dbraw/zinc/00/29/56/484002956.db2.gz ARMGAHVJXXXKRE-LSDHHAIUSA-N 2 0 354.495 -0.300 20 0 FBADRP C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCC[N@H+]2C)O1 ZINC000189493829 484362879 /nfs/dbraw/zinc/36/28/79/484362879.db2.gz SPRVPHOWSZQVRH-YHUYYLMFSA-N 2 0 352.479 -0.045 20 0 FBADRP O=C(C[NH+]1CCCC1)N1CCN(S(=O)(=O)CC[NH+]2CCCC2)CC1 ZINC000189590395 483455615 /nfs/dbraw/zinc/45/56/15/483455615.db2.gz CTRJYRHLLNGYQY-UHFFFAOYSA-N 2 0 358.508 -0.348 20 0 FBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)CC[NH+]2CCCC2)CC1 ZINC000189734748 536369839 /nfs/dbraw/zinc/36/98/39/536369839.db2.gz METIICMBDNVIML-OAHLLOKOSA-N 2 0 358.508 -0.350 20 0 FBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)CC[NH+]2CCCC2)CC1 ZINC000189734765 243254078 /nfs/dbraw/zinc/25/40/78/243254078.db2.gz METIICMBDNVIML-HNNXBMFYSA-N 2 0 358.508 -0.350 20 0 FBADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC[C@](C)(O)C[NH+](C)C ZINC000192812621 484319211 /nfs/dbraw/zinc/31/92/11/484319211.db2.gz UGJOUTPMLHQRPH-HNNXBMFYSA-N 2 0 361.512 -0.348 20 0 FBADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000192812637 484319430 /nfs/dbraw/zinc/31/94/30/484319430.db2.gz UGJOUTPMLHQRPH-OAHLLOKOSA-N 2 0 361.512 -0.348 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CC[NH+](C[C@@H](C)O)C[C@H]2C)C1 ZINC000192825157 535117821 /nfs/dbraw/zinc/11/78/21/535117821.db2.gz QCZIIOLASDYVBD-KZNAEPCWSA-N 2 0 370.538 -0.154 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CC[NH+](C[C@@H](C)O)C[C@@H]2C)C1 ZINC000192825169 535119070 /nfs/dbraw/zinc/11/90/70/535119070.db2.gz QCZIIOLASDYVBD-RCCFBDPRSA-N 2 0 370.538 -0.154 20 0 FBADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCCN1CC[NH+](C)CC1 ZINC000192927057 484320424 /nfs/dbraw/zinc/32/04/24/484320424.db2.gz MZIQSBWRCOGHNH-UHFFFAOYSA-N 2 0 372.539 -0.413 20 0 FBADRP CC(C)N(CCCNC(=O)CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)S(C)(=O)=O ZINC000193639729 243258461 /nfs/dbraw/zinc/25/84/61/243258461.db2.gz BNWTYOWMMCVGKA-GASCZTMLSA-N 2 0 360.524 -0.344 20 0 FBADRP CC[NH+]1CCN(CCC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1 ZINC000193707155 535677208 /nfs/dbraw/zinc/67/72/08/535677208.db2.gz OXIUAVMDIZUNMF-MRXNPFEDSA-N 2 0 353.511 -0.140 20 0 FBADRP CC[NH+]1CCN(CCC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CC1 ZINC000193707169 535676119 /nfs/dbraw/zinc/67/61/19/535676119.db2.gz OXIUAVMDIZUNMF-INIZCTEOSA-N 2 0 353.511 -0.140 20 0 FBADRP Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@@H+]2CCCC[C@H]2CO)CC1 ZINC000194183557 484424165 /nfs/dbraw/zinc/42/41/65/484424165.db2.gz VJSYQSCJQUQRTQ-AWEZNQCLSA-N 2 0 373.461 -0.141 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCN2CC[NH2+]CC2)CC1=O ZINC000236832748 243260302 /nfs/dbraw/zinc/26/03/02/243260302.db2.gz FKRLLCDLJOIQTN-JKSUJKDBSA-N 2 0 351.495 -0.659 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCCN2CC[NH2+]CC2)CC1=O ZINC000236839143 243260447 /nfs/dbraw/zinc/26/04/47/243260447.db2.gz FKRLLCDLJOIQTN-HOTGVXAUSA-N 2 0 351.495 -0.659 20 0 FBADRP CN1CC[N@H+](CCCNC(=O)CN2CCNCC2=O)[C@@H](c2ccccc2)C1 ZINC000237202361 483955222 /nfs/dbraw/zinc/95/52/22/483955222.db2.gz BNOBMRHIJHSYLL-GOSISDBHSA-N 2 0 373.501 -0.087 20 0 FBADRP C[C@H]1CN(Cc2cccc(CNC(=O)CN3CCNCC3=O)c2)CCO1 ZINC000237636812 484388188 /nfs/dbraw/zinc/38/81/88/484388188.db2.gz VMMYPXMUDPYASQ-HNNXBMFYSA-N 2 0 360.458 -0.045 20 0 FBADRP O=C(C[NH2+]C[C@@H]1CCCO1)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000237889731 485132007 /nfs/dbraw/zinc/13/20/07/485132007.db2.gz XOOVRDDQGNPERX-JYJNAYRXSA-N 2 0 352.479 -0.138 20 0 FBADRP O=C(C[NH2+]C[C@H]1CCCO1)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000237923365 485137913 /nfs/dbraw/zinc/13/79/13/485137913.db2.gz XOOVRDDQGNPERX-XHSDSOJGSA-N 2 0 352.479 -0.138 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)C1 ZINC000246411361 484950080 /nfs/dbraw/zinc/95/00/80/484950080.db2.gz RVSDNZADADJTOD-HOTGVXAUSA-N 2 0 354.495 -0.131 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)C1 ZINC000246411376 484950427 /nfs/dbraw/zinc/95/04/27/484950427.db2.gz RVSDNZADADJTOD-JKSUJKDBSA-N 2 0 354.495 -0.131 20 0 FBADRP O=C1NC[C@H]2C[NH+](CCCCCC[N@@H+]3CCN4C(=O)NC[C@H]4C3)CCN12 ZINC000246424276 243270357 /nfs/dbraw/zinc/27/03/57/243270357.db2.gz CCBICUYVAVAUNQ-HOTGVXAUSA-N 2 0 364.494 -0.034 20 0 FBADRP O=C1NC[C@H]2C[NH+](CCCCC[N@@H+]3CCN4C(=O)NC[C@H]4C3)CCN12 ZINC000246491929 243269677 /nfs/dbraw/zinc/26/96/77/243269677.db2.gz ILALCDZQRDEVDA-GJZGRUSLSA-N 2 0 350.467 -0.425 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@](C)(O)C[NH+](C)C)CC1=O ZINC000246502990 243269727 /nfs/dbraw/zinc/26/97/27/243269727.db2.gz HSCLUMRWLDKTHY-DAYGRLMNSA-N 2 0 354.495 -0.252 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@](C)(O)C[NH+](C)C)CC1=O ZINC000246503002 243269713 /nfs/dbraw/zinc/26/97/13/243269713.db2.gz HSCLUMRWLDKTHY-HDMKZQKVSA-N 2 0 354.495 -0.252 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@](C)(O)C[NH+](C)C)CC1=O ZINC000246503017 535554241 /nfs/dbraw/zinc/55/42/41/535554241.db2.gz HSCLUMRWLDKTHY-IIDMSEBBSA-N 2 0 354.495 -0.252 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCCN2CC[NH2+]CC2)CC1=O ZINC000246672303 484963973 /nfs/dbraw/zinc/96/39/73/484963973.db2.gz FPIBBDMPDZYXCO-DLBZAZTESA-N 2 0 365.522 -0.269 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCCCN2CC[NH2+]CC2)CC1=O ZINC000246672324 484963235 /nfs/dbraw/zinc/96/32/35/484963235.db2.gz FPIBBDMPDZYXCO-IRXDYDNUSA-N 2 0 365.522 -0.269 20 0 FBADRP CNC(=O)[C@@H]1CCC[NH+](CCOCC[N@H+]2CCC[C@@H](C(=O)NC)C2)C1 ZINC000246933105 484967891 /nfs/dbraw/zinc/96/78/91/484967891.db2.gz HERBDIVBSRRIBY-HZPDHXFCSA-N 2 0 354.495 -0.081 20 0 FBADRP CNC(=O)[C@@H]1CCC[N@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000247483605 243270710 /nfs/dbraw/zinc/27/07/10/243270710.db2.gz FYKLGUAMKWIFQP-CVEARBPZSA-N 2 0 354.495 -0.083 20 0 FBADRP CNC(=O)[C@@H]1CCC[N@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000247483616 243273360 /nfs/dbraw/zinc/27/33/60/243273360.db2.gz FYKLGUAMKWIFQP-HZPDHXFCSA-N 2 0 354.495 -0.083 20 0 FBADRP CNC(=O)[C@@H]1CCC[NH+](CC2(C[N@H+]3CCC[C@@H](C(=O)NC)C3)COC2)C1 ZINC000248423031 484553777 /nfs/dbraw/zinc/55/37/77/484553777.db2.gz MWMRPOWLYVLMFJ-HZPDHXFCSA-N 2 0 366.506 -0.081 20 0 FBADRP CC[N@H+](CCO)CCNC(=O)[C@H]1CC(=O)N(C[C@@H]2CCC[NH+]2CC)C1 ZINC000248634174 243276977 /nfs/dbraw/zinc/27/69/77/243276977.db2.gz JMOGVWLBVSBQKG-HOTGVXAUSA-N 2 0 354.495 -0.250 20 0 FBADRP CC[N@H+](CCO)CCNC(=O)[C@H]1CC(=O)N(C[C@H]2CCC[NH+]2CC)C1 ZINC000248634181 243277347 /nfs/dbraw/zinc/27/73/47/243277347.db2.gz JMOGVWLBVSBQKG-JKSUJKDBSA-N 2 0 354.495 -0.250 20 0 FBADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCN(CCO)[C@@H](C)C1 ZINC000248665238 484980417 /nfs/dbraw/zinc/98/04/17/484980417.db2.gz LOVXINWLXBWWFV-ZDUSSCGKSA-N 2 0 373.523 -0.251 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CC[NH+](C[C@H](C)O)C[C@H]2C)C1 ZINC000249292597 535116711 /nfs/dbraw/zinc/11/67/11/535116711.db2.gz QCZIIOLASDYVBD-FGTMMUONSA-N 2 0 370.538 -0.154 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CC[NH+](C[C@H](C)O)C[C@@H]2C)C1 ZINC000249292601 535118894 /nfs/dbraw/zinc/11/88/94/535118894.db2.gz QCZIIOLASDYVBD-OKZBNKHCSA-N 2 0 370.538 -0.154 20 0 FBADRP C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC[N@@H+]1CC(C)(C)O ZINC000249293087 484990444 /nfs/dbraw/zinc/99/04/44/484990444.db2.gz ARMGAHVJXXXKRE-CABCVRRESA-N 2 0 354.495 -0.300 20 0 FBADRP C[C@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC[N@@H+]1CC(C)(C)O ZINC000249293089 484989974 /nfs/dbraw/zinc/98/99/74/484989974.db2.gz ARMGAHVJXXXKRE-GJZGRUSLSA-N 2 0 354.495 -0.300 20 0 FBADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000249428570 484991019 /nfs/dbraw/zinc/99/10/19/484991019.db2.gz YSXDUUDZBWCKFY-CABCVRRESA-N 2 0 354.495 -0.300 20 0 FBADRP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000249428572 484991679 /nfs/dbraw/zinc/99/16/79/484991679.db2.gz YSXDUUDZBWCKFY-GJZGRUSLSA-N 2 0 354.495 -0.300 20 0 FBADRP C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2CCC[N@H+]2C)O1 ZINC000249584996 484768867 /nfs/dbraw/zinc/76/88/67/484768867.db2.gz SPRVPHOWSZQVRH-FPCVCCKLSA-N 2 0 352.479 -0.045 20 0 FBADRP Cn1c(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc(=O)n(C)c1=O ZINC000261646557 243279970 /nfs/dbraw/zinc/27/99/70/243279970.db2.gz AALCBSSQCPIQPM-DZGCQCFKSA-N 2 0 363.462 -0.836 20 0 FBADRP Cn1c(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc(=O)n(C)c1=O ZINC000261646560 243281612 /nfs/dbraw/zinc/28/16/12/243281612.db2.gz AALCBSSQCPIQPM-HIFRSBDPSA-N 2 0 363.462 -0.836 20 0 FBADRP Cn1c(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc(=O)n(C)c1=O ZINC000261646564 243280564 /nfs/dbraw/zinc/28/05/64/243280564.db2.gz AALCBSSQCPIQPM-UKRRQHHQSA-N 2 0 363.462 -0.836 20 0 FBADRP Cn1c(C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc(=O)n(C)c1=O ZINC000261646568 243279228 /nfs/dbraw/zinc/27/92/28/243279228.db2.gz AALCBSSQCPIQPM-ZFWWWQNUSA-N 2 0 363.462 -0.836 20 0 FBADRP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261657136 243281173 /nfs/dbraw/zinc/28/11/73/243281173.db2.gz AVRBWYJNKICXPR-IPYPFGDCSA-N 2 0 365.478 -0.057 20 0 FBADRP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261657139 243281064 /nfs/dbraw/zinc/28/10/64/243281064.db2.gz AVRBWYJNKICXPR-NFAWXSAZSA-N 2 0 365.478 -0.057 20 0 FBADRP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261657142 243281509 /nfs/dbraw/zinc/28/15/09/243281509.db2.gz AVRBWYJNKICXPR-UMVBOHGHSA-N 2 0 365.478 -0.057 20 0 FBADRP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261657145 243279384 /nfs/dbraw/zinc/27/93/84/243279384.db2.gz AVRBWYJNKICXPR-VNHYZAJKSA-N 2 0 365.478 -0.057 20 0 FBADRP NS(=O)(=O)c1ccc(OCC[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000261674524 243279715 /nfs/dbraw/zinc/27/97/15/243279715.db2.gz MBZTZGXKWARUNH-CYBMUJFWSA-N 2 0 370.475 -0.500 20 0 FBADRP NS(=O)(=O)c1ccc(OCC[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000261674526 243281097 /nfs/dbraw/zinc/28/10/97/243281097.db2.gz MBZTZGXKWARUNH-ZDUSSCGKSA-N 2 0 370.475 -0.500 20 0 FBADRP Cn1ncc2c1ncnc2N1CCN(C(=O)CN2CC[C@](C)(C[NH3+])C2)CC1 ZINC000261707321 243284691 /nfs/dbraw/zinc/28/46/91/243284691.db2.gz ILOTXZQHKNOPAB-GOSISDBHSA-N 3 0 372.477 -0.317 20 0 FBADRP Cn1ncc2c1ncnc2N1CCN(C(=O)CN2CC[C@@](C)(C[NH3+])C2)CC1 ZINC000261707322 243282642 /nfs/dbraw/zinc/28/26/42/243282642.db2.gz ILOTXZQHKNOPAB-SFHVURJKSA-N 3 0 372.477 -0.317 20 0 FBADRP O=S(=O)(CCNC1=[NH+]CCCN1)N1CCN(c2ccccn2)CC1 ZINC000261716733 243283625 /nfs/dbraw/zinc/28/36/25/243283625.db2.gz FGMSDPHVXROQFR-UHFFFAOYSA-N 2 0 352.464 -0.528 20 0 FBADRP CN1CCN(S(=O)(=O)N2CCN(C(=O)CC[C@H]3CC[NH2+]C3)CC2)CC1 ZINC000261730196 243283999 /nfs/dbraw/zinc/28/39/99/243283999.db2.gz FTHURFHQRRYHHZ-HNNXBMFYSA-N 2 0 373.523 -0.988 20 0 FBADRP CN1CCN(S(=O)(=O)N2CCN(C(=O)CC[C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000261730197 243283372 /nfs/dbraw/zinc/28/33/72/243283372.db2.gz FTHURFHQRRYHHZ-OAHLLOKOSA-N 2 0 373.523 -0.988 20 0 FBADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)NC(=O)NC2CCCCC2)C1 ZINC000261744595 243283674 /nfs/dbraw/zinc/28/36/74/243283674.db2.gz TWUQXUDUJXOPJM-CYBMUJFWSA-N 2 0 353.467 -0.068 20 0 FBADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC(=O)NC(=O)NC2CCCCC2)C1 ZINC000261744598 243282457 /nfs/dbraw/zinc/28/24/57/243282457.db2.gz TWUQXUDUJXOPJM-ZDUSSCGKSA-N 2 0 353.467 -0.068 20 0 FBADRP O=C(CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)N1CCOCC1 ZINC000261758349 243282220 /nfs/dbraw/zinc/28/22/20/243282220.db2.gz FREXDOZCVYWXBB-CVEARBPZSA-N 2 0 352.479 -0.185 20 0 FBADRP O=C(CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)N1CCOCC1 ZINC000261758350 243283571 /nfs/dbraw/zinc/28/35/71/243283571.db2.gz FREXDOZCVYWXBB-HOTGVXAUSA-N 2 0 352.479 -0.185 20 0 FBADRP O=C(CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)N1CCOCC1 ZINC000261758351 243284571 /nfs/dbraw/zinc/28/45/71/243284571.db2.gz FREXDOZCVYWXBB-HZPDHXFCSA-N 2 0 352.479 -0.185 20 0 FBADRP O=C(CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)N1CCOCC1 ZINC000261758352 243284811 /nfs/dbraw/zinc/28/48/11/243284811.db2.gz FREXDOZCVYWXBB-JKSUJKDBSA-N 2 0 352.479 -0.185 20 0 FBADRP CC[NH+]1CCN(CCC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000261760650 535682050 /nfs/dbraw/zinc/68/20/50/535682050.db2.gz FWJIOLOPWHXRFO-AWEZNQCLSA-N 2 0 365.444 -0.034 20 0 FBADRP CC[NH+]1CCN(CCC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000261760652 243282287 /nfs/dbraw/zinc/28/22/87/243282287.db2.gz FWJIOLOPWHXRFO-CQSZACIVSA-N 2 0 365.444 -0.034 20 0 FBADRP CCN1CCO[C@H](C(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C1 ZINC000261762979 243283733 /nfs/dbraw/zinc/28/37/33/243283733.db2.gz GBJATTMCNSNXOT-OAGGEKHMSA-N 2 0 352.479 -0.186 20 0 FBADRP CCN1CCO[C@H](C(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C1 ZINC000261762981 243282864 /nfs/dbraw/zinc/28/28/64/243282864.db2.gz GBJATTMCNSNXOT-PMPSAXMXSA-N 2 0 352.479 -0.186 20 0 FBADRP CCN1CCO[C@H](C(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C1 ZINC000261762983 243283180 /nfs/dbraw/zinc/28/31/80/243283180.db2.gz GBJATTMCNSNXOT-XHSDSOJGSA-N 2 0 352.479 -0.186 20 0 FBADRP CC1(C)NC(=O)N(CC[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C1=O ZINC000261829350 534980733 /nfs/dbraw/zinc/98/07/33/534980733.db2.gz KUTQIPBVMKLRAT-KBPBESRZSA-N 2 0 365.478 -0.103 20 0 FBADRP CC1(C)NC(=O)N(CC[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C1=O ZINC000261829351 534980420 /nfs/dbraw/zinc/98/04/20/534980420.db2.gz KUTQIPBVMKLRAT-KGLIPLIRSA-N 2 0 365.478 -0.103 20 0 FBADRP CC1(C)NC(=O)N(CC[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C1=O ZINC000261829353 534979715 /nfs/dbraw/zinc/97/97/15/534979715.db2.gz KUTQIPBVMKLRAT-UONOGXRCSA-N 2 0 365.478 -0.103 20 0 FBADRP CC1(C)NC(=O)N(CC[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C1=O ZINC000261829355 534980586 /nfs/dbraw/zinc/98/05/86/534980586.db2.gz KUTQIPBVMKLRAT-ZIAGYGMSSA-N 2 0 365.478 -0.103 20 0 FBADRP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)[C@@H]3CC[C@H](C[NH3+])O3)CC2)C1 ZINC000261883641 535213204 /nfs/dbraw/zinc/21/32/04/535213204.db2.gz UVMIFQVHVULXGK-IKGGRYGDSA-N 2 0 354.495 -0.254 20 0 FBADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)[C@@H]3CC[C@H](C[NH3+])O3)CC2)C1 ZINC000261883644 243288680 /nfs/dbraw/zinc/28/86/80/243288680.db2.gz UVMIFQVHVULXGK-ZACQAIPSSA-N 2 0 354.495 -0.254 20 0 FBADRP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261893484 243290052 /nfs/dbraw/zinc/29/00/52/243290052.db2.gz AOJPJVLYPGQIML-BFHYXJOUSA-N 2 0 353.467 -0.199 20 0 FBADRP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261893486 243289686 /nfs/dbraw/zinc/28/96/86/243289686.db2.gz AOJPJVLYPGQIML-IHRRRGAJSA-N 2 0 353.467 -0.199 20 0 FBADRP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261893488 243289230 /nfs/dbraw/zinc/28/92/30/243289230.db2.gz AOJPJVLYPGQIML-MELADBBJSA-N 2 0 353.467 -0.199 20 0 FBADRP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261893491 243288856 /nfs/dbraw/zinc/28/88/56/243288856.db2.gz AOJPJVLYPGQIML-MJBXVCDLSA-N 2 0 353.467 -0.199 20 0 FBADRP CC[NH+]1CCN(CC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000261910539 535658522 /nfs/dbraw/zinc/65/85/22/535658522.db2.gz SWHLCEXATRBTIT-CYBMUJFWSA-N 2 0 351.417 -0.424 20 0 FBADRP CC[NH+]1CCN(CC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000261910540 535659476 /nfs/dbraw/zinc/65/94/76/535659476.db2.gz SWHLCEXATRBTIT-ZDUSSCGKSA-N 2 0 351.417 -0.424 20 0 FBADRP CC[NH+]1CCN(CC(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000261934930 243289248 /nfs/dbraw/zinc/28/92/48/243289248.db2.gz WRSREFRMPRPZLF-DLBZAZTESA-N 2 0 365.522 -0.269 20 0 FBADRP CC[NH+]1CCN(CC(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000261934934 243289118 /nfs/dbraw/zinc/28/91/18/243289118.db2.gz WRSREFRMPRPZLF-IAGOWNOFSA-N 2 0 365.522 -0.269 20 0 FBADRP CC[NH+]1CCN(CC(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000261934936 243289049 /nfs/dbraw/zinc/28/90/49/243289049.db2.gz WRSREFRMPRPZLF-IRXDYDNUSA-N 2 0 365.522 -0.269 20 0 FBADRP CC[NH+]1CCN(CC(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000261934938 243292285 /nfs/dbraw/zinc/29/22/85/243292285.db2.gz WRSREFRMPRPZLF-SJORKVTESA-N 2 0 365.522 -0.269 20 0 FBADRP C[NH2+]CCC1CC[NH+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC000261986819 243291427 /nfs/dbraw/zinc/29/14/27/243291427.db2.gz KJOIGUGUTWVYHI-UHFFFAOYSA-N 2 0 353.511 -0.460 20 0 FBADRP Cn1ncc2c1ncnc2N1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000262009616 243295306 /nfs/dbraw/zinc/29/53/06/243295306.db2.gz FIDCRGRSTTVIKJ-UHFFFAOYSA-N 2 0 358.450 -0.693 20 0 FBADRP O=C(C[N@H+](CCC(=O)N1CC[NH2+]CC1)C[C@@H]1CCCO1)N1CCCC1 ZINC000262031241 243294757 /nfs/dbraw/zinc/29/47/57/243294757.db2.gz GXPQWCZJBOARLT-INIZCTEOSA-N 2 0 352.479 -0.088 20 0 FBADRP O=C(C[N@H+](CCC(=O)N1CC[NH2+]CC1)C[C@H]1CCCO1)N1CCCC1 ZINC000262031242 243293369 /nfs/dbraw/zinc/29/33/69/243293369.db2.gz GXPQWCZJBOARLT-MRXNPFEDSA-N 2 0 352.479 -0.088 20 0 FBADRP Cn1cc(C(=O)NCC2CC[NH+](CCC(=O)N3CC[NH2+]CC3)CC2)cn1 ZINC000262041218 243293937 /nfs/dbraw/zinc/29/39/37/243293937.db2.gz HPKMDNXOWUETLK-UHFFFAOYSA-N 2 0 362.478 -0.316 20 0 FBADRP C[C@@H](C(=O)N1CCCC1)N1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000262056210 243294526 /nfs/dbraw/zinc/29/45/26/243294526.db2.gz ISMKBEDHEZYOQU-INIZCTEOSA-N 2 0 351.495 -0.563 20 0 FBADRP C[C@H](C(=O)N1CCCC1)N1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000262056213 243295809 /nfs/dbraw/zinc/29/58/09/243295809.db2.gz ISMKBEDHEZYOQU-MRXNPFEDSA-N 2 0 351.495 -0.563 20 0 FBADRP C[C@@H](C(=O)NC1CCCC1)N1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000262058917 243293908 /nfs/dbraw/zinc/29/39/08/243293908.db2.gz IYULJBVYUKBZCI-INIZCTEOSA-N 2 0 365.522 -0.127 20 0 FBADRP C[C@H](C(=O)NC1CCCC1)N1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000262058920 243294690 /nfs/dbraw/zinc/29/46/90/243294690.db2.gz IYULJBVYUKBZCI-MRXNPFEDSA-N 2 0 365.522 -0.127 20 0 FBADRP CN1CCN(C(=O)CC2CC[NH+](CCC(=O)N3CC[NH2+]CC3)CC2)CC1 ZINC000262077902 243296370 /nfs/dbraw/zinc/29/63/70/243296370.db2.gz KJZOSKARWJFQOX-UHFFFAOYSA-N 2 0 365.522 -0.316 20 0 FBADRP C[NH+]1CCC[C@@H]1CNC(=O)[C@@]1(CC(=O)NC[C@H]2CCC[N@H+]2C)CC[NH2+]C1 ZINC000262101239 536372026 /nfs/dbraw/zinc/37/20/26/536372026.db2.gz ZGIFWOAKVWGATJ-GPMSIDNRSA-N 3 0 365.522 -0.223 20 0 FBADRP C[NH+]1CCC[C@@H]1CNC(=O)[C@]1(CC(=O)NC[C@H]2CCC[N@H+]2C)CC[NH2+]C1 ZINC000262101250 243297342 /nfs/dbraw/zinc/29/73/42/243297342.db2.gz ZGIFWOAKVWGATJ-MDZRGWNJSA-N 3 0 365.522 -0.223 20 0 FBADRP CCN(CC)C(=O)CN1CCC[N@H+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000262117282 243296705 /nfs/dbraw/zinc/29/67/05/243296705.db2.gz NBGPUWTUVHHTAQ-UHFFFAOYSA-N 2 0 353.511 -0.316 20 0 FBADRP COCC[C@]1(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC[NH2+]C1 ZINC000262139114 243299627 /nfs/dbraw/zinc/29/96/27/243299627.db2.gz XBLGKZBSMHPSKR-GXTWGEPZSA-N 2 0 352.401 -0.045 20 0 FBADRP COCC[C@@]1(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC[NH2+]C1 ZINC000262139117 243298882 /nfs/dbraw/zinc/29/88/82/243298882.db2.gz XBLGKZBSMHPSKR-JSGCOSHPSA-N 2 0 352.401 -0.045 20 0 FBADRP COCC[C@@]1(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC[NH2+]C1 ZINC000262139121 243298811 /nfs/dbraw/zinc/29/88/11/243298811.db2.gz XBLGKZBSMHPSKR-OCCSQVGLSA-N 2 0 352.401 -0.045 20 0 FBADRP COCC[C@]1(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC[NH2+]C1 ZINC000262139123 243299449 /nfs/dbraw/zinc/29/94/49/243299449.db2.gz XBLGKZBSMHPSKR-TZMCWYRMSA-N 2 0 352.401 -0.045 20 0 FBADRP CN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000262148758 536017268 /nfs/dbraw/zinc/01/72/68/536017268.db2.gz YQCSFJQAKMLZHV-UHFFFAOYSA-N 2 0 354.476 -0.200 20 0 FBADRP CN(C(=O)c1ccc(NC(=O)CNC(=O)C[NH3+])cc1)[C@H]1CCC[N@H+](C)C1 ZINC000262357403 243312995 /nfs/dbraw/zinc/31/29/95/243312995.db2.gz GDHSRLQLIGGOHY-HNNXBMFYSA-N 2 0 361.446 -0.134 20 0 FBADRP CN(C(=O)c1ccc(NC(=O)CNC(=O)C[NH3+])cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000262357407 243313244 /nfs/dbraw/zinc/31/32/44/243313244.db2.gz GDHSRLQLIGGOHY-OAHLLOKOSA-N 2 0 361.446 -0.134 20 0 FBADRP COCC1(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC[NH2+]CC1 ZINC000262357628 243313693 /nfs/dbraw/zinc/31/36/93/243313693.db2.gz JSZWOVAJUDSJSB-UHFFFAOYSA-N 2 0 352.479 -0.231 20 0 FBADRP C[C@@H](NC(=O)CNC(=O)C[NH3+])c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000262358276 243312710 /nfs/dbraw/zinc/31/27/10/243312710.db2.gz GHOBZTUNBOPJRC-GFCCVEGCSA-N 2 0 351.426 -0.170 20 0 FBADRP C[C@H](NC(=O)CNC(=O)C[NH3+])c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000262358279 243313617 /nfs/dbraw/zinc/31/36/17/243313617.db2.gz GHOBZTUNBOPJRC-LBPRGKRZSA-N 2 0 351.426 -0.170 20 0 FBADRP C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)C[C@H]2COCC[NH2+]2)CC1 ZINC000262372350 243312255 /nfs/dbraw/zinc/31/22/55/243312255.db2.gz LWZKIFSRFOGKEO-CVEARBPZSA-N 2 0 352.479 -0.090 20 0 FBADRP C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)C[C@H]2COCC[NH2+]2)CC1 ZINC000262372351 243314040 /nfs/dbraw/zinc/31/40/40/243314040.db2.gz LWZKIFSRFOGKEO-HOTGVXAUSA-N 2 0 352.479 -0.090 20 0 FBADRP C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)C[C@@H]2COCC[NH2+]2)CC1 ZINC000262372353 243312436 /nfs/dbraw/zinc/31/24/36/243312436.db2.gz LWZKIFSRFOGKEO-HZPDHXFCSA-N 2 0 352.479 -0.090 20 0 FBADRP C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)C[C@@H]2COCC[NH2+]2)CC1 ZINC000262372354 243314208 /nfs/dbraw/zinc/31/42/08/243314208.db2.gz LWZKIFSRFOGKEO-JKSUJKDBSA-N 2 0 352.479 -0.090 20 0 FBADRP COc1cc(CN2CCN(C(=O)CNC(=O)C[NH3+])CC2)cc(OC)c1 ZINC000262383378 243312813 /nfs/dbraw/zinc/31/28/13/243312813.db2.gz KURPTIRUSLYXSC-UHFFFAOYSA-N 2 0 350.419 -0.577 20 0 FBADRP C[NH+](C)CCN1C[C@H](C(=O)Nc2ccccc2C(=O)NCC[NH3+])CC1=O ZINC000262412137 243315526 /nfs/dbraw/zinc/31/55/26/243315526.db2.gz OFQPBPSVXKVBHM-CYBMUJFWSA-N 2 0 361.446 -0.276 20 0 FBADRP C[NH+](C)CCN1C[C@@H](C(=O)Nc2ccccc2C(=O)NCC[NH3+])CC1=O ZINC000262412139 535878837 /nfs/dbraw/zinc/87/88/37/535878837.db2.gz OFQPBPSVXKVBHM-ZDUSSCGKSA-N 2 0 361.446 -0.276 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCCN2CC[NH2+]CC2)CC1=O ZINC000262503532 243320691 /nfs/dbraw/zinc/32/06/91/243320691.db2.gz FKRLLCDLJOIQTN-CVEARBPZSA-N 2 0 351.495 -0.659 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCN2CC[NH2+]CC2)CC1=O ZINC000262503533 535552750 /nfs/dbraw/zinc/55/27/50/535552750.db2.gz FKRLLCDLJOIQTN-HZPDHXFCSA-N 2 0 351.495 -0.659 20 0 FBADRP O=C(NCC[NH+]1CCCC1)c1ccc(CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)cc1 ZINC000262564168 243325085 /nfs/dbraw/zinc/32/50/85/243325085.db2.gz XITYFDIOUQOOHL-DLBZAZTESA-N 2 0 360.458 -0.149 20 0 FBADRP O=C(NCC[NH+]1CCCC1)c1ccc(CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)cc1 ZINC000262564175 243325418 /nfs/dbraw/zinc/32/54/18/243325418.db2.gz XITYFDIOUQOOHL-IAGOWNOFSA-N 2 0 360.458 -0.149 20 0 FBADRP O=C(NCC[NH+]1CCCC1)c1ccc(CNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)cc1 ZINC000262564181 243324807 /nfs/dbraw/zinc/32/48/07/243324807.db2.gz XITYFDIOUQOOHL-IRXDYDNUSA-N 2 0 360.458 -0.149 20 0 FBADRP O=C(NCC[NH+]1CCCC1)c1ccc(CNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)cc1 ZINC000262564188 243326395 /nfs/dbraw/zinc/32/63/95/243326395.db2.gz XITYFDIOUQOOHL-SJORKVTESA-N 2 0 360.458 -0.149 20 0 FBADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)[C@H]3C[NH2+]CCO3)c2)C1 ZINC000262645751 243328789 /nfs/dbraw/zinc/32/87/89/243328789.db2.gz NSXBNFZBZXPWJB-DLBZAZTESA-N 2 0 360.458 -0.012 20 0 FBADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)[C@H]3C[NH2+]CCO3)c2)C1 ZINC000262645753 243327790 /nfs/dbraw/zinc/32/77/90/243327790.db2.gz NSXBNFZBZXPWJB-IAGOWNOFSA-N 2 0 360.458 -0.012 20 0 FBADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)[C@@H]3C[NH2+]CCO3)c2)C1 ZINC000262645755 243328480 /nfs/dbraw/zinc/32/84/80/243328480.db2.gz NSXBNFZBZXPWJB-IRXDYDNUSA-N 2 0 360.458 -0.012 20 0 FBADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)[C@@H]3C[NH2+]CCO3)c2)C1 ZINC000262645758 243327315 /nfs/dbraw/zinc/32/73/15/243327315.db2.gz NSXBNFZBZXPWJB-SJORKVTESA-N 2 0 360.458 -0.012 20 0 FBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C[C@@H]2CSCC[NH2+]2)cn1 ZINC000262753087 535883209 /nfs/dbraw/zinc/88/32/09/535883209.db2.gz GYLGFQGAYQYEMO-GFCCVEGCSA-N 2 0 354.480 -0.406 20 0 FBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C[C@H]2CSCC[NH2+]2)cn1 ZINC000262753088 535882995 /nfs/dbraw/zinc/88/29/95/535882995.db2.gz GYLGFQGAYQYEMO-LBPRGKRZSA-N 2 0 354.480 -0.406 20 0 FBADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CC1=O ZINC000262789501 535880941 /nfs/dbraw/zinc/88/09/41/535880941.db2.gz MWBJFENTOQEXOY-CABCVRRESA-N 2 0 367.494 -0.757 20 0 FBADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CC1=O ZINC000262789508 535877164 /nfs/dbraw/zinc/87/71/64/535877164.db2.gz MWBJFENTOQEXOY-GJZGRUSLSA-N 2 0 367.494 -0.757 20 0 FBADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1=O ZINC000262789515 535881040 /nfs/dbraw/zinc/88/10/40/535881040.db2.gz MWBJFENTOQEXOY-HUUCEWRRSA-N 2 0 367.494 -0.757 20 0 FBADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1=O ZINC000262789521 535877634 /nfs/dbraw/zinc/87/76/34/535877634.db2.gz MWBJFENTOQEXOY-LSDHHAIUSA-N 2 0 367.494 -0.757 20 0 FBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000262942713 535049552 /nfs/dbraw/zinc/04/95/52/535049552.db2.gz AERRSMMIGBQEPA-KRWDZBQOSA-N 2 0 364.494 -0.095 20 0 FBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000262945913 243343840 /nfs/dbraw/zinc/34/38/40/243343840.db2.gz AVJVQFHTCXCUSR-KRWDZBQOSA-N 2 0 362.478 -0.451 20 0 FBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000263252113 243349534 /nfs/dbraw/zinc/34/95/34/243349534.db2.gz PGOPPBDQPKMXEM-INIZCTEOSA-N 2 0 362.478 -0.451 20 0 FBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000263256461 243349401 /nfs/dbraw/zinc/34/94/01/243349401.db2.gz QVLBUMNVUPOQRZ-KRWDZBQOSA-N 2 0 362.478 -0.451 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)CNC(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000263262461 243350728 /nfs/dbraw/zinc/35/07/28/243350728.db2.gz TULVKFDPAGULJY-INIZCTEOSA-N 2 0 355.483 -0.902 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cn(C)c(=O)[nH]c1=O ZINC000263852311 243364041 /nfs/dbraw/zinc/36/40/41/243364041.db2.gz ZCBOYUXHPJFTFS-CYBMUJFWSA-N 2 0 351.451 -0.026 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cn(C)c(=O)[nH]c1=O ZINC000263852315 535594162 /nfs/dbraw/zinc/59/41/62/535594162.db2.gz ZCBOYUXHPJFTFS-ZDUSSCGKSA-N 2 0 351.451 -0.026 20 0 FBADRP O=C(CN1CCC(=O)NC1=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000264833541 484337197 /nfs/dbraw/zinc/33/71/97/484337197.db2.gz JNYXPMPJFWUBCD-UHFFFAOYSA-N 2 0 374.445 -0.348 20 0 FBADRP O=C(CN1CC(=O)NC1=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000264855480 484338413 /nfs/dbraw/zinc/33/84/13/484338413.db2.gz NWZTYDSSKJNBDS-UHFFFAOYSA-N 2 0 360.418 -0.738 20 0 FBADRP CN1C(=O)C(=O)N(CC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C1=O ZINC000264870919 243426818 /nfs/dbraw/zinc/42/68/18/243426818.db2.gz GPKHKRKBJMYYPU-UHFFFAOYSA-N 2 0 355.439 -0.861 20 0 FBADRP COC[C@@H](O)CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000265395604 484367541 /nfs/dbraw/zinc/36/75/41/484367541.db2.gz NOFIKBNEUWWVOJ-INIZCTEOSA-N 2 0 351.451 -0.100 20 0 FBADRP COC[C@H](O)CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000265395605 484367567 /nfs/dbraw/zinc/36/75/67/484367567.db2.gz NOFIKBNEUWWVOJ-MRXNPFEDSA-N 2 0 351.451 -0.100 20 0 FBADRP C[NH+]1CCN(CCNC(=O)CC[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000266310542 484409913 /nfs/dbraw/zinc/40/99/13/484409913.db2.gz SPKFFUSUPYIZEN-UHFFFAOYSA-N 2 0 360.506 -0.043 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000266816730 484426040 /nfs/dbraw/zinc/42/60/40/484426040.db2.gz HBNCPDYYFNVBNK-KRWDZBQOSA-N 2 0 360.506 -0.044 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000266816733 484425562 /nfs/dbraw/zinc/42/55/62/484425562.db2.gz HBNCPDYYFNVBNK-QGZVFWFLSA-N 2 0 360.506 -0.044 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1[nH]c(=O)[nH]c(=O)c1N ZINC000266834274 484427501 /nfs/dbraw/zinc/42/75/01/484427501.db2.gz MWSMMOKIJGWEDF-LLVKDONJSA-N 2 0 352.439 -0.042 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1[nH]c(=O)[nH]c(=O)c1N ZINC000266834277 484427773 /nfs/dbraw/zinc/42/77/73/484427773.db2.gz MWSMMOKIJGWEDF-NSHDSACASA-N 2 0 352.439 -0.042 20 0 FBADRP NC(=O)c1nccnc1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000266854899 484428820 /nfs/dbraw/zinc/42/88/20/484428820.db2.gz SGCJNZOBUKDEAV-UHFFFAOYSA-N 2 0 369.429 -0.087 20 0 FBADRP COC(=O)c1cn(CC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)nn1 ZINC000266991475 484434149 /nfs/dbraw/zinc/43/41/49/484434149.db2.gz JFWSTMQSAYFFMC-UHFFFAOYSA-N 2 0 354.455 -0.203 20 0 FBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)Cn1cc(S(N)(=O)=O)cn1 ZINC000267168944 484441576 /nfs/dbraw/zinc/44/15/76/484441576.db2.gz LTGWSASUSVCNIX-UHFFFAOYSA-N 2 0 374.511 -0.738 20 0 FBADRP Cn1c(=O)[nH]cc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1=O ZINC000267600793 484462254 /nfs/dbraw/zinc/46/22/54/484462254.db2.gz MSXITDJBGBAMOP-UHFFFAOYSA-N 2 0 372.429 -0.177 20 0 FBADRP CNS(=O)(=O)CC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000267658458 484466550 /nfs/dbraw/zinc/46/65/50/484466550.db2.gz SNNNWJAAFGPPEP-UHFFFAOYSA-N 2 0 355.464 -0.741 20 0 FBADRP C[NH+](C)CCN1C[C@@H](C(=O)Nc2ccc(N3CC[NH2+]CC3)cn2)CC1=O ZINC000269175002 483449418 /nfs/dbraw/zinc/44/94/18/483449418.db2.gz XIVBXFZZZHDFID-AWEZNQCLSA-N 2 0 360.462 -0.160 20 0 FBADRP C[NH+](C)CCN1C[C@H](C(=O)Nc2ccc(N3CC[NH2+]CC3)cn2)CC1=O ZINC000269175005 483449568 /nfs/dbraw/zinc/44/95/68/483449568.db2.gz XIVBXFZZZHDFID-CQSZACIVSA-N 2 0 360.462 -0.160 20 0 FBADRP C[NH+](C)CCOc1ccccc1N1CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000269307798 483454394 /nfs/dbraw/zinc/45/43/94/483454394.db2.gz VAMRRAXQXQAQKW-HZPDHXFCSA-N 2 0 362.474 -0.002 20 0 FBADRP C[NH+](C)CCOc1ccccc1N1CCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000269307799 483453614 /nfs/dbraw/zinc/45/36/14/483453614.db2.gz VAMRRAXQXQAQKW-JKSUJKDBSA-N 2 0 362.474 -0.002 20 0 FBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NCC1(CO)COC1 ZINC000269564886 483468614 /nfs/dbraw/zinc/46/86/14/483468614.db2.gz FDBJYPBHJXZLHA-UHFFFAOYSA-N 2 0 363.462 -0.098 20 0 FBADRP Cn1cc([C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)NC(=O)[C@H]2CCC[NH+]2C)cn1 ZINC000269776497 483482813 /nfs/dbraw/zinc/48/28/13/483482813.db2.gz DQRGPYGIBULDGP-ARFHVFGLSA-N 2 0 362.478 -0.118 20 0 FBADRP Cn1cc([C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)NC(=O)[C@H]2CCC[NH+]2C)cn1 ZINC000269776500 483482772 /nfs/dbraw/zinc/48/27/72/483482772.db2.gz DQRGPYGIBULDGP-BZUAXINKSA-N 2 0 362.478 -0.118 20 0 FBADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)cc1 ZINC000269913604 483490371 /nfs/dbraw/zinc/49/03/71/483490371.db2.gz OHIMZZMVXHQZDU-GOSISDBHSA-N 2 0 366.462 -0.006 20 0 FBADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)cc1 ZINC000269913605 483490448 /nfs/dbraw/zinc/49/04/48/483490448.db2.gz OHIMZZMVXHQZDU-SFHVURJKSA-N 2 0 366.462 -0.006 20 0 FBADRP C[NH+](C)C/C=C/C(=O)NCCOCCOCCNC(=O)/C=C/C[NH+](C)C ZINC000270279349 483502815 /nfs/dbraw/zinc/50/28/15/483502815.db2.gz XQYCVLHFYLSDPN-KQQUZDAGSA-N 2 0 370.494 -0.512 20 0 FBADRP CCS(=O)(=O)NCC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000270354485 483504394 /nfs/dbraw/zinc/50/43/94/483504394.db2.gz POXNOFIXQDKCHK-UHFFFAOYSA-N 2 0 369.491 -0.351 20 0 FBADRP COCC(=O)N(C)CC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000270369536 483505628 /nfs/dbraw/zinc/50/56/28/483505628.db2.gz UWSWIIPVRUERGY-UHFFFAOYSA-N 2 0 363.462 -0.185 20 0 FBADRP O=C(C[C@@H]1NC(=O)NC1=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000270743823 483516134 /nfs/dbraw/zinc/51/61/34/483516134.db2.gz YDXMLGNIJAPLOK-AWEZNQCLSA-N 2 0 360.418 -0.692 20 0 FBADRP CC[N@H+](CCCC1CC[NH+](CC(=O)NC(N)=O)CC1)CC(=O)NC(N)=O ZINC000270880465 483524477 /nfs/dbraw/zinc/52/44/77/483524477.db2.gz OTRUIWQEGTXZIF-UHFFFAOYSA-N 2 0 370.454 -0.810 20 0 FBADRP Cn1cnn(CC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1=O ZINC000272510137 483584826 /nfs/dbraw/zinc/58/48/26/483584826.db2.gz YGKHLXUUWWOZDH-UHFFFAOYSA-N 2 0 359.434 -0.695 20 0 FBADRP [NH3+]CC(=O)NCC(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000274416560 483644387 /nfs/dbraw/zinc/64/43/87/483644387.db2.gz KDHYKYBFQHXZKZ-UHFFFAOYSA-N 2 0 361.490 -0.225 20 0 FBADRP C[NH+](C)CCOc1ccccc1N1CCN(C(=O)CNC(=O)C[NH3+])CC1 ZINC000274452984 483646320 /nfs/dbraw/zinc/64/63/20/483646320.db2.gz STQXZWCUSCQALF-UHFFFAOYSA-N 2 0 363.462 -0.650 20 0 FBADRP [NH3+]CC(=O)NCC(=O)NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000274470095 483647576 /nfs/dbraw/zinc/64/75/76/483647576.db2.gz XCDYNXFXRCAIEL-UHFFFAOYSA-N 2 0 352.410 -0.140 20 0 FBADRP CC[N@H+](CCO)CCNC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000274491362 483648922 /nfs/dbraw/zinc/64/89/22/483648922.db2.gz STDPPBIXXGTCCM-UHFFFAOYSA-N 2 0 366.462 -0.004 20 0 FBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1C[C@@H](O)C[C@H]1CO ZINC000274970536 483663574 /nfs/dbraw/zinc/66/35/74/483663574.db2.gz SVMDXLGLQWPURO-IRXDYDNUSA-N 2 0 363.462 -0.269 20 0 FBADRP NC(=O)[C@H]1CC[C@@H](C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)O1 ZINC000279628331 244169115 /nfs/dbraw/zinc/16/91/15/244169115.db2.gz BLVWYPIQJZVIDQ-CVEARBPZSA-N 2 0 361.446 -0.257 20 0 FBADRP NC(=O)[C@@H]1CC[C@@H](C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)O1 ZINC000279628334 244169625 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FBADRP O=C(CN1CCOCC1=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000280769005 244201309 /nfs/dbraw/zinc/20/13/09/244201309.db2.gz YVJXYFGYKXIPDA-UHFFFAOYSA-N 2 0 361.446 -0.431 20 0 FBADRP C[C@H]1C[N@H+](CCC(=O)N2CCN(C)CC2)CCN1c1nccn2cnnc12 ZINC000282647838 244268419 /nfs/dbraw/zinc/26/84/19/244268419.db2.gz CEDUONJWQJAFOS-HNNXBMFYSA-N 2 0 372.477 -0.201 20 0 FBADRP C[C@@H]1C[N@H+](CCC(=O)N2CCN(C)CC2)CCN1c1nccn2cnnc12 ZINC000282647842 244266997 /nfs/dbraw/zinc/26/69/97/244266997.db2.gz CEDUONJWQJAFOS-OAHLLOKOSA-N 2 0 372.477 -0.201 20 0 FBADRP C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)NCCCn1ccnc1 ZINC000283154294 244284483 /nfs/dbraw/zinc/28/44/83/244284483.db2.gz FNKZAEOQECUPFV-AWEZNQCLSA-N 2 0 351.451 -0.307 20 0 FBADRP C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)NCCCn1ccnc1 ZINC000283154298 244285893 /nfs/dbraw/zinc/28/58/93/244285893.db2.gz FNKZAEOQECUPFV-CQSZACIVSA-N 2 0 351.451 -0.307 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000283262498 244291561 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CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000287114210 483747534 /nfs/dbraw/zinc/74/75/34/483747534.db2.gz XSAXMQFXZWSZGY-SQNIBIBYSA-N 2 0 373.501 -0.090 20 0 FBADRP COC(=O)COCC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000287313801 483750824 /nfs/dbraw/zinc/75/08/24/483750824.db2.gz KHLHHNNAYFSSCM-UHFFFAOYSA-N 2 0 350.419 -0.101 20 0 FBADRP CN(C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1COC[C@H]1O ZINC000287601096 483755437 /nfs/dbraw/zinc/75/54/37/483755437.db2.gz RDGQSICHAIFLMF-IAGOWNOFSA-N 2 0 363.462 -0.005 20 0 FBADRP CN(CC[NH+](C)C)C(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000288112801 483765640 /nfs/dbraw/zinc/76/56/40/483765640.db2.gz KVODFRKMTNIXAF-KRWDZBQOSA-N 2 0 362.474 -0.111 20 0 FBADRP CN(CC[NH+](C)C)C(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000288112803 483765542 /nfs/dbraw/zinc/76/55/42/483765542.db2.gz KVODFRKMTNIXAF-QGZVFWFLSA-N 2 0 362.474 -0.111 20 0 FBADRP CN(CC[NH+](C)C)C(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000288630834 483774682 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351.455 -0.372 20 0 FBADRP C[C@@H]1[C@H](O)CCC[N@@H+]1CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000296165440 483827924 /nfs/dbraw/zinc/82/79/24/483827924.db2.gz KSVMJMMGFURIGF-UKRRQHHQSA-N 2 0 373.461 -0.143 20 0 FBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCOC[C@@H](O)C1 ZINC000297369115 483832157 /nfs/dbraw/zinc/83/21/57/483832157.db2.gz VRLGGMTZXWDGLY-KRWDZBQOSA-N 2 0 363.462 -0.004 20 0 FBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCOC[C@H](O)C1 ZINC000297369119 483832285 /nfs/dbraw/zinc/83/22/85/483832285.db2.gz VRLGGMTZXWDGLY-QGZVFWFLSA-N 2 0 363.462 -0.004 20 0 FBADRP Cc1nccc(N2CCN(C(=O)C(=O)N3CC[N@@H+]4CCC[C@H]4C3)CC2)n1 ZINC000297743533 483836788 /nfs/dbraw/zinc/83/67/88/483836788.db2.gz OLMMHEYNAQCRJS-HNNXBMFYSA-N 2 0 358.446 -0.260 20 0 FBADRP Cc1nccc(N2CCN(C(=O)C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)CC2)n1 ZINC000297743535 483837230 /nfs/dbraw/zinc/83/72/30/483837230.db2.gz OLMMHEYNAQCRJS-OAHLLOKOSA-N 2 0 358.446 -0.260 20 0 FBADRP Cn1cc(CN2CCCN(C(=O)C(=O)N3CC[N@@H+]4CCC[C@H]4C3)CC2)cn1 ZINC000297746027 483836962 /nfs/dbraw/zinc/83/69/62/483836962.db2.gz PAEORANGKBNFPE-KRWDZBQOSA-N 2 0 374.489 -0.239 20 0 FBADRP Cn1cc(CN2CCCN(C(=O)C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)CC2)cn1 ZINC000297746029 483836995 /nfs/dbraw/zinc/83/69/95/483836995.db2.gz PAEORANGKBNFPE-QGZVFWFLSA-N 2 0 374.489 -0.239 20 0 FBADRP Cn1ncc2c1ncnc2N1CCN(C(=O)CN2CCC[N@H+](C)CC2)CC1 ZINC000298098904 483844680 /nfs/dbraw/zinc/84/46/80/483844680.db2.gz WZNXLLBVIXXNRZ-UHFFFAOYSA-N 2 0 372.477 -0.351 20 0 FBADRP Cn1c(=O)ccn(CC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1=O ZINC000299434850 244639931 /nfs/dbraw/zinc/63/99/31/244639931.db2.gz RWVCUJJOZATYEP-UHFFFAOYSA-N 2 0 353.467 -0.721 20 0 FBADRP NS(=O)(=O)CCNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000299536797 483865168 /nfs/dbraw/zinc/86/51/68/483865168.db2.gz UIDWAUPKQHLUSD-UHFFFAOYSA-N 2 0 370.479 -0.819 20 0 FBADRP CN1CC(=O)N(CC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000299562699 483865405 /nfs/dbraw/zinc/86/54/05/483865405.db2.gz NRUBOZREHTVMPA-UHFFFAOYSA-N 2 0 374.445 -0.396 20 0 FBADRP C[C@H](NS(C)(=O)=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000299575651 483865858 /nfs/dbraw/zinc/86/58/58/483865858.db2.gz QHFDKNGOVRRKHX-AWEZNQCLSA-N 2 0 369.491 -0.352 20 0 FBADRP C[C@@H](NS(C)(=O)=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000299575656 483865662 /nfs/dbraw/zinc/86/56/62/483865662.db2.gz QHFDKNGOVRRKHX-CQSZACIVSA-N 2 0 369.491 -0.352 20 0 FBADRP Cn1cc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c(=O)[nH]c1=O ZINC000299617529 483866217 /nfs/dbraw/zinc/86/62/17/483866217.db2.gz YXEHPBTXHIIXRE-UHFFFAOYSA-N 2 0 372.429 -0.177 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cn1ccc(=O)n(C)c1=O ZINC000299726097 483867880 /nfs/dbraw/zinc/86/78/80/483867880.db2.gz QXIPPWVRIYLBAA-HNNXBMFYSA-N 2 0 365.478 -0.579 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cn1ccc(=O)n(C)c1=O ZINC000299726098 483867614 /nfs/dbraw/zinc/86/76/14/483867614.db2.gz QXIPPWVRIYLBAA-OAHLLOKOSA-N 2 0 365.478 -0.579 20 0 FBADRP C[C@H](O)C[NH+]1CCN(c2cc(N3CC[NH+](C[C@H](C)O)CC3)ncn2)CC1 ZINC000302341070 484518810 /nfs/dbraw/zinc/51/88/10/484518810.db2.gz ADHZYMOTFWJJGF-HOTGVXAUSA-N 2 0 364.494 -0.518 20 0 FBADRP C[C@@H](O)C[NH+]1CCN(c2cc(N3CC[NH+](C[C@@H](C)O)CC3)ncn2)CC1 ZINC000302440093 484519836 /nfs/dbraw/zinc/51/98/36/484519836.db2.gz ADHZYMOTFWJJGF-HZPDHXFCSA-N 2 0 364.494 -0.518 20 0 FBADRP C[C@H]1CN(c2cc(N3CC[N@H+](CCO)[C@@H](C)C3)ncn2)CC[NH+]1CCO ZINC000302442132 484518916 /nfs/dbraw/zinc/51/89/16/484518916.db2.gz QQCVRYWWXYCMBW-HOTGVXAUSA-N 2 0 364.494 -0.518 20 0 FBADRP C[C@@H]1CN(c2cc(N3CC[N@H+](CCO)[C@H](C)C3)ncn2)CC[NH+]1CCO ZINC000302442138 484519938 /nfs/dbraw/zinc/51/99/38/484519938.db2.gz QQCVRYWWXYCMBW-HZPDHXFCSA-N 2 0 364.494 -0.518 20 0 FBADRP CC(=O)N1CCN(C(=O)C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)CC1 ZINC000303371530 483879908 /nfs/dbraw/zinc/87/99/08/483879908.db2.gz VJMYSFXXABUIBP-HNNXBMFYSA-N 2 0 354.495 -0.298 20 0 FBADRP CC(=O)N1CCN(C(=O)C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)CC1 ZINC000303371531 483879652 /nfs/dbraw/zinc/87/96/52/483879652.db2.gz VJMYSFXXABUIBP-OAHLLOKOSA-N 2 0 354.495 -0.298 20 0 FBADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)N2CCC[C@@H](C(N)=O)C2)CC1 ZINC000303396578 484152131 /nfs/dbraw/zinc/15/21/31/484152131.db2.gz ZSUMTOYTRJVDPG-GDBMZVCRSA-N 2 0 354.495 -0.265 20 0 FBADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)N2CCC[C@@H](C(N)=O)C2)CC1 ZINC000303396579 484151945 /nfs/dbraw/zinc/15/19/45/484151945.db2.gz ZSUMTOYTRJVDPG-GOEBONIOSA-N 2 0 354.495 -0.265 20 0 FBADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)N2CCC[C@H](C(N)=O)C2)CC1 ZINC000303396580 484151988 /nfs/dbraw/zinc/15/19/88/484151988.db2.gz ZSUMTOYTRJVDPG-HOCLYGCPSA-N 2 0 354.495 -0.265 20 0 FBADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)N2CCC[C@H](C(N)=O)C2)CC1 ZINC000303396581 484152291 /nfs/dbraw/zinc/15/22/91/484152291.db2.gz ZSUMTOYTRJVDPG-ZBFHGGJFSA-N 2 0 354.495 -0.265 20 0 FBADRP COC(=O)CCN(C)S(=O)(=O)N(CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000325031758 484505078 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364.490 -0.279 20 0 FBADRP C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CC(=O)N(CCN4CCOCC4)C3)C2)C1 ZINC000329452084 484247733 /nfs/dbraw/zinc/24/77/33/484247733.db2.gz LSTJYFPUUJXIHS-QFBILLFUSA-N 2 0 364.490 -0.279 20 0 FBADRP C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC(=O)N(CCN4CCOCC4)C3)C2)C1 ZINC000329452087 484248216 /nfs/dbraw/zinc/24/82/16/484248216.db2.gz LSTJYFPUUJXIHS-VQIMIIECSA-N 2 0 364.490 -0.279 20 0 FBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(CCN4CCOCC4)C3)[C@@H]2C1 ZINC000329463199 484247197 /nfs/dbraw/zinc/24/71/97/484247197.db2.gz UGOAKBIIPWNXJQ-BRWVUGGUSA-N 2 0 364.490 -0.280 20 0 FBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC(=O)N(CCN4CCOCC4)C3)[C@H]2C1 ZINC000329463200 484247177 /nfs/dbraw/zinc/24/71/77/484247177.db2.gz UGOAKBIIPWNXJQ-IKGGRYGDSA-N 2 0 364.490 -0.280 20 0 FBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC(=O)N(CCN4CCOCC4)C3)[C@@H]2C1 ZINC000329463201 484246994 /nfs/dbraw/zinc/24/69/94/484246994.db2.gz UGOAKBIIPWNXJQ-IXDOHACOSA-N 2 0 364.490 -0.280 20 0 FBADRP 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ZINC000329675071 484278657 /nfs/dbraw/zinc/27/86/57/484278657.db2.gz OWSGGSHFOSXAOP-UHFFFAOYSA-N 2 0 358.508 -0.145 20 0 FBADRP C[N@H+]1C[C@H]2CN(C(=O)CCN3CCN(C(=O)[C@@H]4CCCO4)CC3)C[C@H]2C1 ZINC000330227066 484319613 /nfs/dbraw/zinc/31/96/13/484319613.db2.gz BVASGGMVLFRAHY-BBWFWOEESA-N 2 0 364.490 -0.280 20 0 FBADRP C[N@H+]1C[C@H]2CN(C(=O)CCN3CCN(C(=O)[C@H]4CCCO4)CC3)C[C@H]2C1 ZINC000330227070 484319213 /nfs/dbraw/zinc/31/92/13/484319213.db2.gz BVASGGMVLFRAHY-IXDOHACOSA-N 2 0 364.490 -0.280 20 0 FBADRP C[C@@H]1CN(C(=O)[C@@H]2CN(C)CCO2)C[C@H](C)N1C(=O)[C@@H]1CN(C)CCO1 ZINC000330241399 484319431 /nfs/dbraw/zinc/31/94/31/484319431.db2.gz BSGRLCRCURZVOD-FZKCQIBNSA-N 2 0 368.478 -0.905 20 0 FBADRP C[C@@H]1CN(C(=O)[C@H]2CN(C)CCO2)C[C@H](C)N1C(=O)[C@H]1CN(C)CCO1 ZINC000330241404 484318774 /nfs/dbraw/zinc/31/87/74/484318774.db2.gz BSGRLCRCURZVOD-QKPAOTATSA-N 2 0 368.478 -0.905 20 0 FBADRP C[C@@H]1CN(C(=O)[C@H]2CN(C)CCO2)C[C@H](C)N1C(=O)[C@@H]1CN(C)CCO1 ZINC000330241406 484318594 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FBADRP CC(C)NC(=O)CN(C)CC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000330768921 483944382 /nfs/dbraw/zinc/94/43/82/483944382.db2.gz SWLLGYTUOGMOQB-OAHLLOKOSA-N 2 0 367.494 -0.792 20 0 FBADRP CC(C)[NH+]1CCC(NC(=O)CN2CCN(C(=O)C[NH+](C)C)CC2)CC1 ZINC000330799121 483947110 /nfs/dbraw/zinc/94/71/10/483947110.db2.gz YMISXNVMVLPISU-UHFFFAOYSA-N 2 0 353.511 -0.319 20 0 FBADRP CC[NH+](CC)CCS(=O)(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000330862598 483951246 /nfs/dbraw/zinc/95/12/46/483951246.db2.gz SUWGMPLXNIVTCJ-HNNXBMFYSA-N 2 0 360.524 -0.104 20 0 FBADRP CC[NH+](CC)CCS(=O)(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000330863062 483950995 /nfs/dbraw/zinc/95/09/95/483950995.db2.gz SUWGMPLXNIVTCJ-OAHLLOKOSA-N 2 0 360.524 -0.104 20 0 FBADRP CNS(=O)(=O)NC1CC[NH+](CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000330918473 536297958 /nfs/dbraw/zinc/29/79/58/536297958.db2.gz NDQCJXLEDAUIMY-UHFFFAOYSA-N 2 0 361.556 -0.079 20 0 FBADRP CC[NH+]1CCC(NC(=O)C[N@H+](C)C2CCN(S(C)(=O)=O)CC2)CC1 ZINC000330966367 483961256 /nfs/dbraw/zinc/96/12/56/483961256.db2.gz QHYHVSULXADBAG-UHFFFAOYSA-N 2 0 360.524 -0.057 20 0 FBADRP C[NH+](C)C(C)(C)CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000331225093 484084518 /nfs/dbraw/zinc/08/45/18/484084518.db2.gz ZRHWMQKNZWGMHL-UHFFFAOYSA-N 2 0 350.467 0.545 20 0 FBADRP CN(C(=O)C(=O)NC1CC[NH+](C2CCCCC2)CC1)[C@H]1C[NH2+]C[C@@H]1O ZINC000331366147 244843061 /nfs/dbraw/zinc/84/30/61/244843061.db2.gz CXEMASUVIITIDO-HOTGVXAUSA-N 2 0 352.479 -0.309 20 0 FBADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000331375680 484321954 /nfs/dbraw/zinc/32/19/54/484321954.db2.gz DCBBLBNLMKDKFX-GDBMZVCRSA-N 2 0 368.478 -0.855 20 0 FBADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NC[C@H]1CN(C)CCO1 ZINC000331375681 484322285 /nfs/dbraw/zinc/32/22/85/484322285.db2.gz DCBBLBNLMKDKFX-ZBFHGGJFSA-N 2 0 368.478 -0.855 20 0 FBADRP C[NH+](C)[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000331377201 484322737 /nfs/dbraw/zinc/32/27/37/484322737.db2.gz CQGTVKNPOWTFJY-BZUAXINKSA-N 2 0 352.479 -0.357 20 0 FBADRP C[NH+](C)[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000331377218 484323853 /nfs/dbraw/zinc/32/38/53/484323853.db2.gz CQGTVKNPOWTFJY-OAGGEKHMSA-N 2 0 352.479 -0.357 20 0 FBADRP C[NH+](C)[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C1 ZINC000331377220 484323560 /nfs/dbraw/zinc/32/35/60/484323560.db2.gz CQGTVKNPOWTFJY-OWCLPIDISA-N 2 0 352.479 -0.357 20 0 FBADRP C[NH+](C)[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C1 ZINC000331377222 484323985 /nfs/dbraw/zinc/32/39/85/484323985.db2.gz CQGTVKNPOWTFJY-PMPSAXMXSA-N 2 0 352.479 -0.357 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000331377553 484324374 /nfs/dbraw/zinc/32/43/74/484324374.db2.gz DYJCYJQJRQAMQN-KRWDZBQOSA-N 2 0 365.522 -0.175 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000331377557 484323750 /nfs/dbraw/zinc/32/37/50/484323750.db2.gz DYJCYJQJRQAMQN-QGZVFWFLSA-N 2 0 365.522 -0.175 20 0 FBADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000331387886 484324786 /nfs/dbraw/zinc/32/47/86/484324786.db2.gz ILTQKDSNGFOGHW-CVEARBPZSA-N 2 0 351.495 -0.566 20 0 FBADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C1 ZINC000331387887 484323902 /nfs/dbraw/zinc/32/39/02/484323902.db2.gz ILTQKDSNGFOGHW-HOTGVXAUSA-N 2 0 351.495 -0.566 20 0 FBADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000331387889 484323428 /nfs/dbraw/zinc/32/34/28/484323428.db2.gz ILTQKDSNGFOGHW-HZPDHXFCSA-N 2 0 351.495 -0.566 20 0 FBADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C1 ZINC000331387891 484324329 /nfs/dbraw/zinc/32/43/29/484324329.db2.gz ILTQKDSNGFOGHW-JKSUJKDBSA-N 2 0 351.495 -0.566 20 0 FBADRP CC1CC[NH+](C2CCC(NC(=O)C(=O)N(C)[C@H]3C[NH2+]C[C@@H]3O)CC2)CC1 ZINC000331392828 484324800 /nfs/dbraw/zinc/32/48/00/484324800.db2.gz AZOBIXUHKKHLFR-GQGLESIBSA-N 2 0 366.506 -0.063 20 0 FBADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000331396328 484325930 /nfs/dbraw/zinc/32/59/30/484325930.db2.gz GCJLXDNSYRQVCG-ARFHVFGLSA-N 2 0 352.479 -0.329 20 0 FBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000331396329 484325578 /nfs/dbraw/zinc/32/55/78/484325578.db2.gz GCJLXDNSYRQVCG-BZUAXINKSA-N 2 0 352.479 -0.329 20 0 FBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000331396330 484325869 /nfs/dbraw/zinc/32/58/69/484325869.db2.gz GCJLXDNSYRQVCG-OAGGEKHMSA-N 2 0 352.479 -0.329 20 0 FBADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000331396331 484326144 /nfs/dbraw/zinc/32/61/44/484326144.db2.gz GCJLXDNSYRQVCG-XHSDSOJGSA-N 2 0 352.479 -0.329 20 0 FBADRP C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000331397888 484325649 /nfs/dbraw/zinc/32/56/49/484325649.db2.gz GPCAFEDWSOZPAU-OAHLLOKOSA-N 2 0 352.479 -0.232 20 0 FBADRP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)[N@H+](C)C1 ZINC000331416765 484327619 /nfs/dbraw/zinc/32/76/19/484327619.db2.gz DKYKVPOXJAKPAU-GVRJEKJASA-N 2 0 352.479 -0.250 20 0 FBADRP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)[N@H+](C)C1 ZINC000331416784 484327477 /nfs/dbraw/zinc/32/74/77/484327477.db2.gz DKYKVPOXJAKPAU-QXKUPLGCSA-N 2 0 352.479 -0.250 20 0 FBADRP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)[N@H+](C)C1 ZINC000331416785 484326924 /nfs/dbraw/zinc/32/69/24/484326924.db2.gz DKYKVPOXJAKPAU-RFBLXINOSA-N 2 0 352.479 -0.250 20 0 FBADRP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)[N@H+](C)C1 ZINC000331416787 484327725 /nfs/dbraw/zinc/32/77/25/484327725.db2.gz DKYKVPOXJAKPAU-UVPYHEFZSA-N 2 0 352.479 -0.250 20 0 FBADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000331422454 484327150 /nfs/dbraw/zinc/32/71/50/484327150.db2.gz KZSIBVMWSYMVQA-ARFHVFGLSA-N 2 0 352.479 -0.186 20 0 FBADRP C[C@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000331422457 484327167 /nfs/dbraw/zinc/32/71/67/484327167.db2.gz KZSIBVMWSYMVQA-BZUAXINKSA-N 2 0 352.479 -0.186 20 0 FBADRP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000331422460 484327362 /nfs/dbraw/zinc/32/73/62/484327362.db2.gz KZSIBVMWSYMVQA-OAGGEKHMSA-N 2 0 352.479 -0.186 20 0 FBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000331422462 484327177 /nfs/dbraw/zinc/32/71/77/484327177.db2.gz KZSIBVMWSYMVQA-XHSDSOJGSA-N 2 0 352.479 -0.186 20 0 FBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1(C)C ZINC000331434292 484327258 /nfs/dbraw/zinc/32/72/58/484327258.db2.gz QTKRDVCTLYQMFI-ARFHVFGLSA-N 2 0 365.522 -0.286 20 0 FBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1(C)C ZINC000331434293 484327219 /nfs/dbraw/zinc/32/72/19/484327219.db2.gz QTKRDVCTLYQMFI-HRCADAONSA-N 2 0 365.522 -0.286 20 0 FBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC1(C)C ZINC000331434294 484327395 /nfs/dbraw/zinc/32/73/95/484327395.db2.gz QTKRDVCTLYQMFI-JYJNAYRXSA-N 2 0 365.522 -0.286 20 0 FBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC1(C)C ZINC000331434296 484327204 /nfs/dbraw/zinc/32/72/04/484327204.db2.gz QTKRDVCTLYQMFI-XHSDSOJGSA-N 2 0 365.522 -0.286 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C[C@H]1[NH+](C)C ZINC000331453260 244850387 /nfs/dbraw/zinc/85/03/87/244850387.db2.gz XYEWPZOQMDITEM-DZUCGIPZSA-N 2 0 366.506 -0.111 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C[C@H]1[NH+](C)C ZINC000331453286 484330665 /nfs/dbraw/zinc/33/06/65/484330665.db2.gz XYEWPZOQMDITEM-MWQQHZPXSA-N 2 0 366.506 -0.111 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C[C@@H]1[NH+](C)C ZINC000331453290 484331294 /nfs/dbraw/zinc/33/12/94/484331294.db2.gz XYEWPZOQMDITEM-MXASKKJJSA-N 2 0 366.506 -0.111 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C[C@@H]1[NH+](C)C ZINC000331453295 484331239 /nfs/dbraw/zinc/33/12/39/484331239.db2.gz XYEWPZOQMDITEM-SIXLDLHFSA-N 2 0 366.506 -0.111 20 0 FBADRP [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)C1 ZINC000331462208 484330699 /nfs/dbraw/zinc/33/06/99/484330699.db2.gz FNWDJIKRPOMZQM-MRXNPFEDSA-N 2 0 352.479 -0.103 20 0 FBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N2CC[NH+]3CCC[C@H]3C2)CC1(C)C ZINC000331462346 484330564 /nfs/dbraw/zinc/33/05/64/484330564.db2.gz FRAJRCXLUVKUKY-HNNXBMFYSA-N 2 0 351.495 -0.565 20 0 FBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N2CC[NH+]3CCC[C@@H]3C2)CC1(C)C ZINC000331462352 484330748 /nfs/dbraw/zinc/33/07/48/484330748.db2.gz FRAJRCXLUVKUKY-OAHLLOKOSA-N 2 0 351.495 -0.565 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000331474754 484332089 /nfs/dbraw/zinc/33/20/89/484332089.db2.gz VBGGHIJRHYSAPN-KRWDZBQOSA-N 2 0 365.522 -0.175 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000331474758 244854104 /nfs/dbraw/zinc/85/41/04/244854104.db2.gz VBGGHIJRHYSAPN-QGZVFWFLSA-N 2 0 365.522 -0.175 20 0 FBADRP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)[NH+](C)C1 ZINC000331491252 484334350 /nfs/dbraw/zinc/33/43/50/484334350.db2.gz JFFMOEIMCZBWCP-FXUDXRNXSA-N 2 0 352.479 -0.284 20 0 FBADRP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)[NH+](C)C1 ZINC000331491257 484333434 /nfs/dbraw/zinc/33/34/34/484333434.db2.gz JFFMOEIMCZBWCP-UGUYLWEFSA-N 2 0 352.479 -0.284 20 0 FBADRP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)[NH+](C)C1 ZINC000331491261 484334659 /nfs/dbraw/zinc/33/46/59/484334659.db2.gz JFFMOEIMCZBWCP-VGWMRTNUSA-N 2 0 352.479 -0.284 20 0 FBADRP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)[NH+](C)C1 ZINC000331491264 484333667 /nfs/dbraw/zinc/33/36/67/484333667.db2.gz JFFMOEIMCZBWCP-YHUYYLMFSA-N 2 0 352.479 -0.284 20 0 FBADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000331499366 484334012 /nfs/dbraw/zinc/33/40/12/484334012.db2.gz KTHXRUPQSCLEME-CVEARBPZSA-N 2 0 365.522 -0.176 20 0 FBADRP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000331499402 484334231 /nfs/dbraw/zinc/33/42/31/484334231.db2.gz KTHXRUPQSCLEME-HOTGVXAUSA-N 2 0 365.522 -0.176 20 0 FBADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000331499412 484333299 /nfs/dbraw/zinc/33/32/99/484333299.db2.gz KTHXRUPQSCLEME-HZPDHXFCSA-N 2 0 365.522 -0.176 20 0 FBADRP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000331499421 484333764 /nfs/dbraw/zinc/33/37/64/484333764.db2.gz KTHXRUPQSCLEME-JKSUJKDBSA-N 2 0 365.522 -0.176 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)CC[NH2+]1 ZINC000331526898 484336202 /nfs/dbraw/zinc/33/62/02/484336202.db2.gz OLUMTGVPZUISBG-HNNXBMFYSA-N 2 0 352.479 -0.232 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)CC[NH2+]1 ZINC000331526900 484335839 /nfs/dbraw/zinc/33/58/39/484335839.db2.gz OLUMTGVPZUISBG-OAHLLOKOSA-N 2 0 352.479 -0.232 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000331557239 484338432 /nfs/dbraw/zinc/33/84/32/484338432.db2.gz GEAIDQQNABIGBL-CVEARBPZSA-N 2 0 351.495 -0.565 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000331557243 484337728 /nfs/dbraw/zinc/33/77/28/484337728.db2.gz GEAIDQQNABIGBL-HOTGVXAUSA-N 2 0 351.495 -0.565 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000331557246 484337247 /nfs/dbraw/zinc/33/72/47/484337247.db2.gz GEAIDQQNABIGBL-HZPDHXFCSA-N 2 0 351.495 -0.565 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000331557249 484338058 /nfs/dbraw/zinc/33/80/58/484338058.db2.gz GEAIDQQNABIGBL-JKSUJKDBSA-N 2 0 351.495 -0.565 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)C[C@H]1[NH3+] ZINC000331565654 484339904 /nfs/dbraw/zinc/33/99/04/484339904.db2.gz CKRZHFBRBJCTBA-GDBMZVCRSA-N 2 0 352.479 -0.247 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)C[C@H]1[NH3+] ZINC000331565655 484339318 /nfs/dbraw/zinc/33/93/18/484339318.db2.gz CKRZHFBRBJCTBA-GOEBONIOSA-N 2 0 352.479 -0.247 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)C[C@@H]1[NH3+] ZINC000331565656 484340217 /nfs/dbraw/zinc/34/02/17/484340217.db2.gz CKRZHFBRBJCTBA-HOCLYGCPSA-N 2 0 352.479 -0.247 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)C[C@@H]1[NH3+] ZINC000331565657 484339689 /nfs/dbraw/zinc/33/96/89/484339689.db2.gz CKRZHFBRBJCTBA-ZBFHGGJFSA-N 2 0 352.479 -0.247 20 0 FBADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000331590930 484340972 /nfs/dbraw/zinc/34/09/72/484340972.db2.gz YLPGTTURFPCYLZ-HNNXBMFYSA-N 2 0 352.479 -0.232 20 0 FBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000331590932 484341805 /nfs/dbraw/zinc/34/18/05/484341805.db2.gz YLPGTTURFPCYLZ-OAHLLOKOSA-N 2 0 352.479 -0.232 20 0 FBADRP [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000331596627 244864886 /nfs/dbraw/zinc/86/48/86/244864886.db2.gz HRKBZAOGJGOVTI-HNNXBMFYSA-N 2 0 365.478 -0.907 20 0 FBADRP [NH3+]C[C@H]1CCCCN1C(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000331596629 484343604 /nfs/dbraw/zinc/34/36/04/484343604.db2.gz HRKBZAOGJGOVTI-OAHLLOKOSA-N 2 0 365.478 -0.907 20 0 FBADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N2CC[NH2+][C@H](C)C2)CC1 ZINC000331596815 484343176 /nfs/dbraw/zinc/34/31/76/484343176.db2.gz HWWAIOXDLOCCPW-BRWVUGGUSA-N 2 0 365.522 -0.176 20 0 FBADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N2CC[NH2+][C@H](C)C2)CC1 ZINC000331596817 484343262 /nfs/dbraw/zinc/34/32/62/484343262.db2.gz HWWAIOXDLOCCPW-IKGGRYGDSA-N 2 0 365.522 -0.176 20 0 FBADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)CC1 ZINC000331596819 484343204 /nfs/dbraw/zinc/34/32/04/484343204.db2.gz HWWAIOXDLOCCPW-YESZJQIVSA-N 2 0 365.522 -0.176 20 0 FBADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N2CC[NH2+][C@H](C)C2)CC1 ZINC000331596820 484343431 /nfs/dbraw/zinc/34/34/31/484343431.db2.gz HWWAIOXDLOCCPW-ZACQAIPSSA-N 2 0 365.522 -0.176 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000331639836 484346765 /nfs/dbraw/zinc/34/67/65/484346765.db2.gz MRDGBKKWYVMEFN-DLBZAZTESA-N 2 0 365.522 -0.461 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000331639837 484345731 /nfs/dbraw/zinc/34/57/31/484345731.db2.gz MRDGBKKWYVMEFN-IAGOWNOFSA-N 2 0 365.522 -0.461 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000331639838 484347007 /nfs/dbraw/zinc/34/70/07/484347007.db2.gz MRDGBKKWYVMEFN-IRXDYDNUSA-N 2 0 365.522 -0.461 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000331639839 484346136 /nfs/dbraw/zinc/34/61/36/484346136.db2.gz MRDGBKKWYVMEFN-SJORKVTESA-N 2 0 365.522 -0.461 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000331641113 484346180 /nfs/dbraw/zinc/34/61/80/484346180.db2.gz IRJAKYWXDMGJHH-ARFHVFGLSA-N 2 0 351.495 -0.709 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000331641114 484347196 /nfs/dbraw/zinc/34/71/96/484347196.db2.gz IRJAKYWXDMGJHH-BZUAXINKSA-N 2 0 351.495 -0.709 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000331641115 484347070 /nfs/dbraw/zinc/34/70/70/484347070.db2.gz IRJAKYWXDMGJHH-HRCADAONSA-N 2 0 351.495 -0.709 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000331641116 484345945 /nfs/dbraw/zinc/34/59/45/484345945.db2.gz IRJAKYWXDMGJHH-OWCLPIDISA-N 2 0 351.495 -0.709 20 0 FBADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CC1 ZINC000331653209 484348799 /nfs/dbraw/zinc/34/87/99/484348799.db2.gz RVSQBECZZSNGIY-BRWVUGGUSA-N 2 0 365.522 -0.047 20 0 FBADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CC1 ZINC000331653220 484347706 /nfs/dbraw/zinc/34/77/06/484347706.db2.gz RVSQBECZZSNGIY-IXDOHACOSA-N 2 0 365.522 -0.047 20 0 FBADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CC1 ZINC000331653229 484348146 /nfs/dbraw/zinc/34/81/46/484348146.db2.gz RVSQBECZZSNGIY-YESZJQIVSA-N 2 0 365.522 -0.047 20 0 FBADRP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)[NH+](C)C1 ZINC000331656015 484347911 /nfs/dbraw/zinc/34/79/11/484347911.db2.gz POKXQERXTNCEBL-FZKCQIBNSA-N 2 0 352.479 -0.141 20 0 FBADRP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)[NH+](C)C1 ZINC000331656022 484348730 /nfs/dbraw/zinc/34/87/30/484348730.db2.gz POKXQERXTNCEBL-UGUYLWEFSA-N 2 0 352.479 -0.141 20 0 FBADRP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)[NH+](C)C1 ZINC000331656073 484348073 /nfs/dbraw/zinc/34/80/73/484348073.db2.gz POKXQERXTNCEBL-VGWMRTNUSA-N 2 0 352.479 -0.141 20 0 FBADRP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)[NH+](C)C1 ZINC000331656075 484347840 /nfs/dbraw/zinc/34/78/40/484347840.db2.gz POKXQERXTNCEBL-WCVJEAGWSA-N 2 0 352.479 -0.141 20 0 FBADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2C)CC1 ZINC000331676994 484352212 /nfs/dbraw/zinc/35/22/12/484352212.db2.gz XYEPZCRVRZSWIQ-BBWFWOEESA-N 2 0 365.522 -0.176 20 0 FBADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2C)CC1 ZINC000331676997 484352257 /nfs/dbraw/zinc/35/22/57/484352257.db2.gz XYEPZCRVRZSWIQ-BRWVUGGUSA-N 2 0 365.522 -0.176 20 0 FBADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2C)CC1 ZINC000331677002 484351607 /nfs/dbraw/zinc/35/16/07/484351607.db2.gz XYEPZCRVRZSWIQ-IXDOHACOSA-N 2 0 365.522 -0.176 20 0 FBADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2C)CC1 ZINC000331677007 484351679 /nfs/dbraw/zinc/35/16/79/484351679.db2.gz XYEPZCRVRZSWIQ-YESZJQIVSA-N 2 0 365.522 -0.176 20 0 FBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)n1 ZINC000331713148 484100234 /nfs/dbraw/zinc/10/02/34/484100234.db2.gz DIYQJKYOLSRGBH-HNNXBMFYSA-N 2 0 362.478 0.470 20 0 FBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)n1 ZINC000331713150 484099409 /nfs/dbraw/zinc/09/94/09/484099409.db2.gz DIYQJKYOLSRGBH-OAHLLOKOSA-N 2 0 362.478 0.470 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C[C@H]1[NH+](C)C ZINC000331761724 484356277 /nfs/dbraw/zinc/35/62/77/484356277.db2.gz FBNNOPDMDGXPCI-BRWVUGGUSA-N 2 0 366.506 -0.034 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C[C@@H]1[NH+](C)C ZINC000331761725 484355792 /nfs/dbraw/zinc/35/57/92/484355792.db2.gz FBNNOPDMDGXPCI-IKGGRYGDSA-N 2 0 366.506 -0.034 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C[C@H]1[NH+](C)C ZINC000331761726 484356871 /nfs/dbraw/zinc/35/68/71/484356871.db2.gz FBNNOPDMDGXPCI-IXDOHACOSA-N 2 0 366.506 -0.034 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C[C@@H]1[NH+](C)C ZINC000331761727 484356313 /nfs/dbraw/zinc/35/63/13/484356313.db2.gz FBNNOPDMDGXPCI-ZACQAIPSSA-N 2 0 366.506 -0.034 20 0 FBADRP CC1(C)CN(C(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC[NH2+]1 ZINC000331762534 484356764 /nfs/dbraw/zinc/35/67/64/484356764.db2.gz CBKDWHIRZILTHJ-HNNXBMFYSA-N 2 0 352.479 -0.232 20 0 FBADRP CC1(C)CN(C(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CC[NH2+]1 ZINC000331762535 484356862 /nfs/dbraw/zinc/35/68/62/484356862.db2.gz CBKDWHIRZILTHJ-OAHLLOKOSA-N 2 0 352.479 -0.232 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)[C@H](C)C[NH2+]1 ZINC000331765742 484356052 /nfs/dbraw/zinc/35/60/52/484356052.db2.gz CUFWFRBHRPYYLJ-BZUAXINKSA-N 2 0 352.479 -0.234 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)[C@H](C)C[NH2+]1 ZINC000331765745 484356679 /nfs/dbraw/zinc/35/66/79/484356679.db2.gz CUFWFRBHRPYYLJ-OAGGEKHMSA-N 2 0 352.479 -0.234 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)[C@@H](C)C[NH2+]1 ZINC000331765747 484356601 /nfs/dbraw/zinc/35/66/01/484356601.db2.gz CUFWFRBHRPYYLJ-OWCLPIDISA-N 2 0 352.479 -0.234 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)[C@@H](C)C[NH2+]1 ZINC000331765749 484356469 /nfs/dbraw/zinc/35/64/69/484356469.db2.gz CUFWFRBHRPYYLJ-PMPSAXMXSA-N 2 0 352.479 -0.234 20 0 FBADRP CN(C(=O)C(=O)N1CC[NH+](CC2CCCCC2)CC1)[C@H]1C[NH2+]C[C@@H]1O ZINC000331822569 484361020 /nfs/dbraw/zinc/36/10/20/484361020.db2.gz OZCOEMRVJXVDDT-HOTGVXAUSA-N 2 0 352.479 -0.498 20 0 FBADRP C[NH+](C)[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000331826396 484360321 /nfs/dbraw/zinc/36/03/21/484360321.db2.gz WUMMSARXGZXTMM-HOTGVXAUSA-N 2 0 352.479 -0.280 20 0 FBADRP C[NH+](C)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000331826398 484361033 /nfs/dbraw/zinc/36/10/33/484361033.db2.gz WUMMSARXGZXTMM-JKSUJKDBSA-N 2 0 352.479 -0.280 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C[C@@H](C)[NH2+]1 ZINC000331837546 484361242 /nfs/dbraw/zinc/36/12/42/484361242.db2.gz SWPQSJNIJBDXMG-BZUAXINKSA-N 2 0 352.479 -0.234 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C[C@@H](C)[NH2+]1 ZINC000331837547 484361151 /nfs/dbraw/zinc/36/11/51/484361151.db2.gz SWPQSJNIJBDXMG-OAGGEKHMSA-N 2 0 352.479 -0.234 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C[C@H](C)[NH2+]1 ZINC000331837548 484360342 /nfs/dbraw/zinc/36/03/42/484360342.db2.gz SWPQSJNIJBDXMG-OWCLPIDISA-N 2 0 352.479 -0.234 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C[C@H](C)[NH2+]1 ZINC000331837549 484360533 /nfs/dbraw/zinc/36/05/33/484360533.db2.gz SWPQSJNIJBDXMG-XHSDSOJGSA-N 2 0 352.479 -0.234 20 0 FBADRP C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000331844589 484362598 /nfs/dbraw/zinc/36/25/98/484362598.db2.gz BLMVBZYBXZBJTD-FMKPAKJESA-N 2 0 352.479 -0.188 20 0 FBADRP C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000331844590 484361616 /nfs/dbraw/zinc/36/16/16/484361616.db2.gz BLMVBZYBXZBJTD-IIAWOOMASA-N 2 0 352.479 -0.188 20 0 FBADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000331844591 484362583 /nfs/dbraw/zinc/36/25/83/484362583.db2.gz BLMVBZYBXZBJTD-IJEWVQPXSA-N 2 0 352.479 -0.188 20 0 FBADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000331844592 484361872 /nfs/dbraw/zinc/36/18/72/484361872.db2.gz BLMVBZYBXZBJTD-LZWOXQAQSA-N 2 0 352.479 -0.188 20 0 FBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000331847339 484362632 /nfs/dbraw/zinc/36/26/32/484362632.db2.gz FZKRNGKRXHQGIU-QLFBSQMISA-N 2 0 365.478 -0.863 20 0 FBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000331847342 484362700 /nfs/dbraw/zinc/36/27/00/484362700.db2.gz FZKRNGKRXHQGIU-RBSFLKMASA-N 2 0 365.478 -0.863 20 0 FBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000331847343 484362466 /nfs/dbraw/zinc/36/24/66/484362466.db2.gz FZKRNGKRXHQGIU-RRFJBIMHSA-N 2 0 365.478 -0.863 20 0 FBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000331847344 484362082 /nfs/dbraw/zinc/36/20/82/484362082.db2.gz FZKRNGKRXHQGIU-SOUVJXGZSA-N 2 0 365.478 -0.863 20 0 FBADRP [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000331860863 484363977 /nfs/dbraw/zinc/36/39/77/484363977.db2.gz XTZVZOCPIUHIPI-HOTGVXAUSA-N 2 0 352.479 -0.103 20 0 FBADRP [NH3+]C[C@H]1CCCCN1C(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000331860870 484364400 /nfs/dbraw/zinc/36/44/00/484364400.db2.gz XTZVZOCPIUHIPI-JKSUJKDBSA-N 2 0 352.479 -0.103 20 0 FBADRP CN1CCC([NH+]2CCC(NC(=O)C(=O)N3CC[C@H]([NH+](C)C)C3)CC2)CC1 ZINC000331872505 484364041 /nfs/dbraw/zinc/36/40/41/484364041.db2.gz NHCXQFIXUVGWEN-KRWDZBQOSA-N 2 0 365.522 -0.176 20 0 FBADRP CN1CCC([NH+]2CCC(NC(=O)C(=O)N3CC[C@@H]([NH+](C)C)C3)CC2)CC1 ZINC000331872507 484364422 /nfs/dbraw/zinc/36/44/22/484364422.db2.gz NHCXQFIXUVGWEN-QGZVFWFLSA-N 2 0 365.522 -0.176 20 0 FBADRP CC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](C3CCOCC3)C[C@H]2C)C1 ZINC000331882411 484365172 /nfs/dbraw/zinc/36/51/72/484365172.db2.gz QASBGIBLIDWSHL-CABCVRRESA-N 2 0 352.479 -0.092 20 0 FBADRP CC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](C3CCOCC3)C[C@H]2C)C1 ZINC000331882415 484365497 /nfs/dbraw/zinc/36/54/97/484365497.db2.gz QASBGIBLIDWSHL-HUUCEWRRSA-N 2 0 352.479 -0.092 20 0 FBADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)CC2)CC1 ZINC000331888626 484365090 /nfs/dbraw/zinc/36/50/90/484365090.db2.gz RXJOYZPPXHPXJL-HNNXBMFYSA-N 2 0 351.495 -0.519 20 0 FBADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000331888630 484365099 /nfs/dbraw/zinc/36/50/99/484365099.db2.gz RXJOYZPPXHPXJL-OAHLLOKOSA-N 2 0 351.495 -0.519 20 0 FBADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000331898086 484366894 /nfs/dbraw/zinc/36/68/94/484366894.db2.gz IORWHACJCXMCIL-FMKPAKJESA-N 2 0 352.479 -0.058 20 0 FBADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000331898089 484367159 /nfs/dbraw/zinc/36/71/59/484367159.db2.gz IORWHACJCXMCIL-IIAWOOMASA-N 2 0 352.479 -0.058 20 0 FBADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000331898090 484366245 /nfs/dbraw/zinc/36/62/45/484366245.db2.gz IORWHACJCXMCIL-IJEWVQPXSA-N 2 0 352.479 -0.058 20 0 FBADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000331898093 484366981 /nfs/dbraw/zinc/36/69/81/484366981.db2.gz IORWHACJCXMCIL-YCPHGPKFSA-N 2 0 352.479 -0.058 20 0 FBADRP C[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)CC1 ZINC000331916738 484366291 /nfs/dbraw/zinc/36/62/91/484366291.db2.gz BUTKNDLOPGIBID-UHFFFAOYSA-N 2 0 352.479 -0.232 20 0 FBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000331917207 484366650 /nfs/dbraw/zinc/36/66/50/484366650.db2.gz SRUXJQREWCGSSU-KKUMJFAQSA-N 2 0 365.478 -0.992 20 0 FBADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000331917208 484367106 /nfs/dbraw/zinc/36/71/06/484367106.db2.gz SRUXJQREWCGSSU-RRFJBIMHSA-N 2 0 365.478 -0.992 20 0 FBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000331917209 484366767 /nfs/dbraw/zinc/36/67/67/484366767.db2.gz SRUXJQREWCGSSU-SOUVJXGZSA-N 2 0 365.478 -0.992 20 0 FBADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000331917210 484366740 /nfs/dbraw/zinc/36/67/40/484366740.db2.gz SRUXJQREWCGSSU-ZNMIVQPWSA-N 2 0 365.478 -0.992 20 0 FBADRP C[NH+]1CCC(NC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)CC1 ZINC000331942957 484370052 /nfs/dbraw/zinc/37/00/52/484370052.db2.gz GULYUODEDCGLKA-UHFFFAOYSA-N 2 0 352.479 -0.232 20 0 FBADRP [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)C1 ZINC000331982657 484370978 /nfs/dbraw/zinc/37/09/78/484370978.db2.gz NOXQYTXSWRBTAM-CVEARBPZSA-N 2 0 352.479 -0.057 20 0 FBADRP [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)C1 ZINC000331982661 484371163 /nfs/dbraw/zinc/37/11/63/484371163.db2.gz NOXQYTXSWRBTAM-HOTGVXAUSA-N 2 0 352.479 -0.057 20 0 FBADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)C1 ZINC000331982664 484371220 /nfs/dbraw/zinc/37/12/20/484371220.db2.gz NOXQYTXSWRBTAM-HZPDHXFCSA-N 2 0 352.479 -0.057 20 0 FBADRP [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)C1 ZINC000331982667 484371680 /nfs/dbraw/zinc/37/16/80/484371680.db2.gz NOXQYTXSWRBTAM-JKSUJKDBSA-N 2 0 352.479 -0.057 20 0 FBADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N[C@H]3CCC[NH2+]C3)CC2)CC1 ZINC000331993803 484371705 /nfs/dbraw/zinc/37/17/05/484371705.db2.gz AYIXGZOSBCCAAH-INIZCTEOSA-N 2 0 365.522 -0.128 20 0 FBADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N[C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC000331993806 484371211 /nfs/dbraw/zinc/37/12/11/484371211.db2.gz AYIXGZOSBCCAAH-MRXNPFEDSA-N 2 0 365.522 -0.128 20 0 FBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000332015913 484372716 /nfs/dbraw/zinc/37/27/16/484372716.db2.gz UNCGVPSPEBUOMZ-GDBMZVCRSA-N 2 0 352.479 -0.329 20 0 FBADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000332015914 484373083 /nfs/dbraw/zinc/37/30/83/484373083.db2.gz UNCGVPSPEBUOMZ-GOEBONIOSA-N 2 0 352.479 -0.329 20 0 FBADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000332015915 484372730 /nfs/dbraw/zinc/37/27/30/484372730.db2.gz UNCGVPSPEBUOMZ-HOCLYGCPSA-N 2 0 352.479 -0.329 20 0 FBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000332015916 484372267 /nfs/dbraw/zinc/37/22/67/484372267.db2.gz UNCGVPSPEBUOMZ-ZBFHGGJFSA-N 2 0 352.479 -0.329 20 0 FBADRP C[C@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000332025853 484374974 /nfs/dbraw/zinc/37/49/74/484374974.db2.gz XCTZMAOXJGNOFA-GDBMZVCRSA-N 2 0 352.479 -0.186 20 0 FBADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000332025854 484375360 /nfs/dbraw/zinc/37/53/60/484375360.db2.gz XCTZMAOXJGNOFA-GOEBONIOSA-N 2 0 352.479 -0.186 20 0 FBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000332025855 484374465 /nfs/dbraw/zinc/37/44/65/484374465.db2.gz XCTZMAOXJGNOFA-HOCLYGCPSA-N 2 0 352.479 -0.186 20 0 FBADRP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000332025856 484374038 /nfs/dbraw/zinc/37/40/38/484374038.db2.gz XCTZMAOXJGNOFA-ZBFHGGJFSA-N 2 0 352.479 -0.186 20 0 FBADRP C[C@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000332029791 484375199 /nfs/dbraw/zinc/37/51/99/484375199.db2.gz YRWMOBCUWWHDSC-GDBMZVCRSA-N 2 0 352.479 -0.186 20 0 FBADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000332029792 484374334 /nfs/dbraw/zinc/37/43/34/484374334.db2.gz YRWMOBCUWWHDSC-GOEBONIOSA-N 2 0 352.479 -0.186 20 0 FBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000332029793 484375137 /nfs/dbraw/zinc/37/51/37/484375137.db2.gz YRWMOBCUWWHDSC-HOCLYGCPSA-N 2 0 352.479 -0.186 20 0 FBADRP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000332029794 484375350 /nfs/dbraw/zinc/37/53/50/484375350.db2.gz YRWMOBCUWWHDSC-ZBFHGGJFSA-N 2 0 352.479 -0.186 20 0 FBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000332037975 484374625 /nfs/dbraw/zinc/37/46/25/484374625.db2.gz UAPCKXOPNRVGSO-GDBMZVCRSA-N 2 0 352.479 -0.329 20 0 FBADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000332037976 484375224 /nfs/dbraw/zinc/37/52/24/484375224.db2.gz UAPCKXOPNRVGSO-GOEBONIOSA-N 2 0 352.479 -0.329 20 0 FBADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000332037977 484374310 /nfs/dbraw/zinc/37/43/10/484374310.db2.gz UAPCKXOPNRVGSO-HOCLYGCPSA-N 2 0 352.479 -0.329 20 0 FBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000332037978 484374738 /nfs/dbraw/zinc/37/47/38/484374738.db2.gz UAPCKXOPNRVGSO-ZBFHGGJFSA-N 2 0 352.479 -0.329 20 0 FBADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000332045731 484373990 /nfs/dbraw/zinc/37/39/90/484373990.db2.gz KLDHHDBVTBOSMV-AWEZNQCLSA-N 2 0 352.479 -0.092 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000332046382 484374677 /nfs/dbraw/zinc/37/46/77/484374677.db2.gz SILDHEIAHAMDNB-ARFHVFGLSA-N 2 0 351.495 -0.709 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000332046385 484375024 /nfs/dbraw/zinc/37/50/24/484375024.db2.gz SILDHEIAHAMDNB-BZUAXINKSA-N 2 0 351.495 -0.709 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000332047151 484375256 /nfs/dbraw/zinc/37/52/56/484375256.db2.gz SILDHEIAHAMDNB-OAGGEKHMSA-N 2 0 351.495 -0.709 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000332047153 484373936 /nfs/dbraw/zinc/37/39/36/484373936.db2.gz SILDHEIAHAMDNB-XHSDSOJGSA-N 2 0 351.495 -0.709 20 0 FBADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000332051171 484377009 /nfs/dbraw/zinc/37/70/09/484377009.db2.gz LXYAVQQZRWWFEV-DZKIICNBSA-N 2 0 352.479 -0.188 20 0 FBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000332051173 484377102 /nfs/dbraw/zinc/37/71/02/484377102.db2.gz LXYAVQQZRWWFEV-IJEWVQPXSA-N 2 0 352.479 -0.188 20 0 FBADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000332051175 484376697 /nfs/dbraw/zinc/37/66/97/484376697.db2.gz LXYAVQQZRWWFEV-OFQRWUPVSA-N 2 0 352.479 -0.188 20 0 FBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000332051176 484376921 /nfs/dbraw/zinc/37/69/21/484376921.db2.gz LXYAVQQZRWWFEV-YCPHGPKFSA-N 2 0 352.479 -0.188 20 0 FBADRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000332082981 484379154 /nfs/dbraw/zinc/37/91/54/484379154.db2.gz AXMMWDKSMRMHCX-BZUAXINKSA-N 2 0 351.495 -0.566 20 0 FBADRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000332082982 484379109 /nfs/dbraw/zinc/37/91/09/484379109.db2.gz AXMMWDKSMRMHCX-OAGGEKHMSA-N 2 0 351.495 -0.566 20 0 FBADRP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000332082983 484377925 /nfs/dbraw/zinc/37/79/25/484377925.db2.gz AXMMWDKSMRMHCX-OWCLPIDISA-N 2 0 351.495 -0.566 20 0 FBADRP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000332082984 484378935 /nfs/dbraw/zinc/37/89/35/484378935.db2.gz AXMMWDKSMRMHCX-PMPSAXMXSA-N 2 0 351.495 -0.566 20 0 FBADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000332102404 484380063 /nfs/dbraw/zinc/38/00/63/484380063.db2.gz YUIDYRJNFLWLFU-FMKPAKJESA-N 2 0 352.479 -0.045 20 0 FBADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000332102415 484380577 /nfs/dbraw/zinc/38/05/77/484380577.db2.gz YUIDYRJNFLWLFU-IIAWOOMASA-N 2 0 352.479 -0.045 20 0 FBADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000332102418 484380213 /nfs/dbraw/zinc/38/02/13/484380213.db2.gz YUIDYRJNFLWLFU-IJEWVQPXSA-N 2 0 352.479 -0.045 20 0 FBADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000332102419 484380096 /nfs/dbraw/zinc/38/00/96/484380096.db2.gz YUIDYRJNFLWLFU-YCPHGPKFSA-N 2 0 352.479 -0.045 20 0 FBADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N3CCC[C@H]3C[NH3+])CC2)CC1 ZINC000332105280 484380445 /nfs/dbraw/zinc/38/04/45/484380445.db2.gz DLTZVIMWDQPSEV-KRWDZBQOSA-N 2 0 365.522 -0.047 20 0 FBADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N3CCC[C@@H]3C[NH3+])CC2)CC1 ZINC000332105283 535154324 /nfs/dbraw/zinc/15/43/24/535154324.db2.gz DLTZVIMWDQPSEV-QGZVFWFLSA-N 2 0 365.522 -0.047 20 0 FBADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N3C[C@H](C)[C@H]([NH3+])C3)CC2)CC1 ZINC000332106651 535154379 /nfs/dbraw/zinc/15/43/79/535154379.db2.gz DZJLCYHGEMIOIH-DOTOQJQBSA-N 2 0 365.522 -0.191 20 0 FBADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N3C[C@@H](C)[C@H]([NH3+])C3)CC2)CC1 ZINC000332106654 484380752 /nfs/dbraw/zinc/38/07/52/484380752.db2.gz DZJLCYHGEMIOIH-NVXWUHKLSA-N 2 0 365.522 -0.191 20 0 FBADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N3C[C@H]([NH3+])[C@@H](C)C3)CC2)CC1 ZINC000332106656 535154987 /nfs/dbraw/zinc/15/49/87/535154987.db2.gz DZJLCYHGEMIOIH-RDJZCZTQSA-N 2 0 365.522 -0.191 20 0 FBADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N3C[C@@H](C)[C@@H]([NH3+])C3)CC2)CC1 ZINC000332106658 484380166 /nfs/dbraw/zinc/38/01/66/484380166.db2.gz DZJLCYHGEMIOIH-WBVHZDCISA-N 2 0 365.522 -0.191 20 0 FBADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000332124799 484381350 /nfs/dbraw/zinc/38/13/50/484381350.db2.gz JBXBZMXOGDMXCL-GDBMZVCRSA-N 2 0 352.479 -0.139 20 0 FBADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000332124803 484381997 /nfs/dbraw/zinc/38/19/97/484381997.db2.gz JBXBZMXOGDMXCL-ZBFHGGJFSA-N 2 0 352.479 -0.139 20 0 FBADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)C1 ZINC000332137016 484383040 /nfs/dbraw/zinc/38/30/40/484383040.db2.gz MEUXVYMDYSBMGC-INIZCTEOSA-N 2 0 365.522 -0.176 20 0 FBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)C1 ZINC000332137017 484383214 /nfs/dbraw/zinc/38/32/14/484383214.db2.gz MEUXVYMDYSBMGC-MRXNPFEDSA-N 2 0 365.522 -0.176 20 0 FBADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N3CC[C@H]([NH3+])C3)CC2)CC1 ZINC000332157305 484383334 /nfs/dbraw/zinc/38/33/34/484383334.db2.gz RUWVDYORHFKKNR-HNNXBMFYSA-N 2 0 351.495 -0.437 20 0 FBADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N3CC[C@@H]([NH3+])C3)CC2)CC1 ZINC000332157306 484383290 /nfs/dbraw/zinc/38/32/90/484383290.db2.gz RUWVDYORHFKKNR-OAHLLOKOSA-N 2 0 351.495 -0.437 20 0 FBADRP C[NH+](C)[C@H]1CCN(C(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000332262881 484392366 /nfs/dbraw/zinc/39/23/66/484392366.db2.gz FGEGDRVQFNGSEV-INIZCTEOSA-N 2 0 352.479 -0.280 20 0 FBADRP C[NH+](C)[C@@H]1CCN(C(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000332262883 484392798 /nfs/dbraw/zinc/39/27/98/484392798.db2.gz FGEGDRVQFNGSEV-MRXNPFEDSA-N 2 0 352.479 -0.280 20 0 FBADRP C[NH+](C)C[C@H]1CN(C(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)CCO1 ZINC000332263262 484393040 /nfs/dbraw/zinc/39/30/40/484393040.db2.gz COOJKBJEHPLECZ-CVEARBPZSA-N 2 0 352.479 -0.377 20 0 FBADRP C[NH+](C)C[C@H]1CN(C(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)CCO1 ZINC000332263263 484392048 /nfs/dbraw/zinc/39/20/48/484392048.db2.gz COOJKBJEHPLECZ-HOTGVXAUSA-N 2 0 352.479 -0.377 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)CCO1 ZINC000332263264 484392032 /nfs/dbraw/zinc/39/20/32/484392032.db2.gz COOJKBJEHPLECZ-HZPDHXFCSA-N 2 0 352.479 -0.377 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)CCO1 ZINC000332263265 484392102 /nfs/dbraw/zinc/39/21/02/484392102.db2.gz COOJKBJEHPLECZ-JKSUJKDBSA-N 2 0 352.479 -0.377 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)CCO1 ZINC000332273282 484394030 /nfs/dbraw/zinc/39/40/30/484394030.db2.gz FRBVULNOSUVCES-CVEARBPZSA-N 2 0 352.479 -0.234 20 0 FBADRP C[NH+](C)C[C@H]1CN(C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)CCO1 ZINC000332273283 484394060 /nfs/dbraw/zinc/39/40/60/484394060.db2.gz FRBVULNOSUVCES-HOTGVXAUSA-N 2 0 352.479 -0.234 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)CCO1 ZINC000332273284 484394309 /nfs/dbraw/zinc/39/43/09/484394309.db2.gz FRBVULNOSUVCES-HZPDHXFCSA-N 2 0 352.479 -0.234 20 0 FBADRP C[NH+](C)C[C@H]1CN(C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)CCO1 ZINC000332273285 484393532 /nfs/dbraw/zinc/39/35/32/484393532.db2.gz FRBVULNOSUVCES-JKSUJKDBSA-N 2 0 352.479 -0.234 20 0 FBADRP C[NH+](C)[C@H]1CCN(C(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)C1 ZINC000332303854 484397232 /nfs/dbraw/zinc/39/72/32/484397232.db2.gz QTMPEOSOUJWZFI-INIZCTEOSA-N 2 0 352.479 -0.280 20 0 FBADRP C[NH+](C)[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)C1 ZINC000332303855 484397074 /nfs/dbraw/zinc/39/70/74/484397074.db2.gz QTMPEOSOUJWZFI-MRXNPFEDSA-N 2 0 352.479 -0.280 20 0 FBADRP C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)N3CC[C@H]([NH3+])C3)CC2)C[C@@H](C)O1 ZINC000332320115 484398110 /nfs/dbraw/zinc/39/81/10/484398110.db2.gz VREPZNJMPCQYIS-FMKPAKJESA-N 2 0 352.479 -0.106 20 0 FBADRP C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)N3CC[C@@H]([NH3+])C3)CC2)C[C@@H](C)O1 ZINC000332320117 484398044 /nfs/dbraw/zinc/39/80/44/484398044.db2.gz VREPZNJMPCQYIS-IIAWOOMASA-N 2 0 352.479 -0.106 20 0 FBADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)C(=O)N3CC[C@@H]([NH3+])C3)CC2)C[C@H](C)O1 ZINC000332320119 484398346 /nfs/dbraw/zinc/39/83/46/484398346.db2.gz VREPZNJMPCQYIS-IJEWVQPXSA-N 2 0 352.479 -0.106 20 0 FBADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)C(=O)N3CC[C@H]([NH3+])C3)CC2)C[C@H](C)O1 ZINC000332320121 484398990 /nfs/dbraw/zinc/39/89/90/484398990.db2.gz VREPZNJMPCQYIS-LZWOXQAQSA-N 2 0 352.479 -0.106 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)C[C@H]1[NH+](C)C ZINC000332337029 484400136 /nfs/dbraw/zinc/40/01/36/484400136.db2.gz UZGVMCGRPFGPFB-DOTOQJQBSA-N 2 0 366.506 -0.034 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)C[C@H]1[NH+](C)C ZINC000332337030 484399580 /nfs/dbraw/zinc/39/95/80/484399580.db2.gz UZGVMCGRPFGPFB-NVXWUHKLSA-N 2 0 366.506 -0.034 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)C[C@@H]1[NH+](C)C ZINC000332337032 484399464 /nfs/dbraw/zinc/39/94/64/484399464.db2.gz UZGVMCGRPFGPFB-RDJZCZTQSA-N 2 0 366.506 -0.034 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)C[C@@H]1[NH+](C)C ZINC000332337033 484400457 /nfs/dbraw/zinc/40/04/57/484400457.db2.gz UZGVMCGRPFGPFB-WBVHZDCISA-N 2 0 366.506 -0.034 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)C[C@H]1[NH+](C)C ZINC000332337870 484401445 /nfs/dbraw/zinc/40/14/45/484401445.db2.gz SBHRQQNZWUMWBA-DOTOQJQBSA-N 2 0 366.506 -0.034 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)C[C@H]1[NH+](C)C ZINC000332337872 484401333 /nfs/dbraw/zinc/40/13/33/484401333.db2.gz SBHRQQNZWUMWBA-NVXWUHKLSA-N 2 0 366.506 -0.034 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)C[C@@H]1[NH+](C)C ZINC000332337873 484401381 /nfs/dbraw/zinc/40/13/81/484401381.db2.gz SBHRQQNZWUMWBA-RDJZCZTQSA-N 2 0 366.506 -0.034 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)C[C@@H]1[NH+](C)C ZINC000332337874 484401550 /nfs/dbraw/zinc/40/15/50/484401550.db2.gz SBHRQQNZWUMWBA-WBVHZDCISA-N 2 0 366.506 -0.034 20 0 FBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+](C)[C@H](C)C3)C2)CC1 ZINC000332368593 484405671 /nfs/dbraw/zinc/40/56/71/484405671.db2.gz UQXSNHHLDWFGQU-BRWVUGGUSA-N 2 0 365.522 -0.176 20 0 FBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+](C)[C@@H](C)C3)C2)CC1 ZINC000332368598 484405205 /nfs/dbraw/zinc/40/52/05/484405205.db2.gz UQXSNHHLDWFGQU-GVDBMIGSSA-N 2 0 365.522 -0.176 20 0 FBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@H]3CC[N@H+](C)[C@H](C)C3)C2)CC1 ZINC000332368600 484405050 /nfs/dbraw/zinc/40/50/50/484405050.db2.gz UQXSNHHLDWFGQU-IXDOHACOSA-N 2 0 365.522 -0.176 20 0 FBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)CC1 ZINC000332368601 484404693 /nfs/dbraw/zinc/40/46/93/484404693.db2.gz UQXSNHHLDWFGQU-YESZJQIVSA-N 2 0 365.522 -0.176 20 0 FBADRP C[NH+](C)C[C@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)CCO1 ZINC000332392835 484406985 /nfs/dbraw/zinc/40/69/85/484406985.db2.gz KNKPUCWNPNBLAS-INIZCTEOSA-N 2 0 352.479 -0.138 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)CCO1 ZINC000332392838 484406736 /nfs/dbraw/zinc/40/67/36/484406736.db2.gz KNKPUCWNPNBLAS-MRXNPFEDSA-N 2 0 352.479 -0.138 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)CCO1 ZINC000332394982 484407336 /nfs/dbraw/zinc/40/73/36/484407336.db2.gz WPMMCNREKSGXDX-ARFHVFGLSA-N 2 0 352.479 -0.282 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)CCO1 ZINC000332394984 484407678 /nfs/dbraw/zinc/40/76/78/484407678.db2.gz WPMMCNREKSGXDX-BZUAXINKSA-N 2 0 352.479 -0.282 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)CCO1 ZINC000332394986 484406596 /nfs/dbraw/zinc/40/65/96/484406596.db2.gz WPMMCNREKSGXDX-OAGGEKHMSA-N 2 0 352.479 -0.282 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)CCO1 ZINC000332394988 484406905 /nfs/dbraw/zinc/40/69/05/484406905.db2.gz WPMMCNREKSGXDX-XHSDSOJGSA-N 2 0 352.479 -0.282 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CCO1 ZINC000332414527 484408618 /nfs/dbraw/zinc/40/86/18/484408618.db2.gz TULXWNVVHIGTSW-ARFHVFGLSA-N 2 0 352.479 -0.377 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CCO1 ZINC000332414528 484408879 /nfs/dbraw/zinc/40/88/79/484408879.db2.gz TULXWNVVHIGTSW-BZUAXINKSA-N 2 0 352.479 -0.377 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CCO1 ZINC000332414529 484408286 /nfs/dbraw/zinc/40/82/86/484408286.db2.gz TULXWNVVHIGTSW-HRCADAONSA-N 2 0 352.479 -0.377 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CCO1 ZINC000332414530 484408473 /nfs/dbraw/zinc/40/84/73/484408473.db2.gz TULXWNVVHIGTSW-OWCLPIDISA-N 2 0 352.479 -0.377 20 0 FBADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N3CC[NH2+]C[C@@H]3C)CC2)CC1 ZINC000332439698 484411523 /nfs/dbraw/zinc/41/15/23/484411523.db2.gz BYEXDUHUFMJMCH-INIZCTEOSA-N 2 0 365.522 -0.176 20 0 FBADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N3CC[NH2+]C[C@H]3C)CC2)CC1 ZINC000332439701 484412035 /nfs/dbraw/zinc/41/20/35/484412035.db2.gz BYEXDUHUFMJMCH-MRXNPFEDSA-N 2 0 365.522 -0.176 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@@H]([NH3+])[C@@H](C)C3)CC2)c1 ZINC000332465529 484414251 /nfs/dbraw/zinc/41/42/51/484414251.db2.gz KPTWEMZLNSNGLU-DZGCQCFKSA-N 2 0 361.446 -0.066 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@H]([NH3+])[C@H](C)C3)CC2)c1 ZINC000332465533 484413401 /nfs/dbraw/zinc/41/34/01/484413401.db2.gz KPTWEMZLNSNGLU-HIFRSBDPSA-N 2 0 361.446 -0.066 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@@H]([NH3+])[C@H](C)C3)CC2)c1 ZINC000332465543 484413697 /nfs/dbraw/zinc/41/36/97/484413697.db2.gz KPTWEMZLNSNGLU-UKRRQHHQSA-N 2 0 361.446 -0.066 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@H]([NH3+])[C@@H](C)C3)CC2)c1 ZINC000332465546 484414234 /nfs/dbraw/zinc/41/42/34/484414234.db2.gz KPTWEMZLNSNGLU-ZFWWWQNUSA-N 2 0 361.446 -0.066 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[NH2+]C(C)(C)C3)CC2)c1 ZINC000332466287 483406665 /nfs/dbraw/zinc/40/66/65/483406665.db2.gz KUZOXUZAHYFCRU-UHFFFAOYSA-N 2 0 361.446 -0.051 20 0 FBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CC1 ZINC000332489278 484416861 /nfs/dbraw/zinc/41/68/61/484416861.db2.gz UNVRUDZCOHFRLC-CABCVRRESA-N 2 0 365.478 -0.909 20 0 FBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCCC[C@H]2C[NH3+])CC1 ZINC000332489282 484416377 /nfs/dbraw/zinc/41/63/77/484416377.db2.gz UNVRUDZCOHFRLC-GJZGRUSLSA-N 2 0 365.478 -0.909 20 0 FBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CC1 ZINC000332489284 484416787 /nfs/dbraw/zinc/41/67/87/484416787.db2.gz UNVRUDZCOHFRLC-HUUCEWRRSA-N 2 0 365.478 -0.909 20 0 FBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCCC[C@H]2C[NH3+])CC1 ZINC000332489286 484417189 /nfs/dbraw/zinc/41/71/89/484417189.db2.gz UNVRUDZCOHFRLC-LSDHHAIUSA-N 2 0 365.478 -0.909 20 0 FBADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N3CC[NH2+][C@@H](C)C3)CC2)CC1 ZINC000332500092 484417084 /nfs/dbraw/zinc/41/70/84/484417084.db2.gz GCYPDOOMDCZMDG-INIZCTEOSA-N 2 0 365.522 -0.176 20 0 FBADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N3CC[NH2+][C@H](C)C3)CC2)CC1 ZINC000332500094 484416220 /nfs/dbraw/zinc/41/62/20/484416220.db2.gz GCYPDOOMDCZMDG-MRXNPFEDSA-N 2 0 365.522 -0.176 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3C[C@H](C)[NH2+][C@@H](C)C3)CC2)c1 ZINC000332505730 484418197 /nfs/dbraw/zinc/41/81/97/484418197.db2.gz XMCNGSQFEMKUBP-KBPBESRZSA-N 2 0 361.446 -0.052 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3C[C@@H](C)[NH2+][C@@H](C)C3)CC2)c1 ZINC000332505732 484417720 /nfs/dbraw/zinc/41/77/20/484417720.db2.gz XMCNGSQFEMKUBP-OKILXGFUSA-N 2 0 361.446 -0.052 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3C[C@@H](C)[NH2+][C@H](C)C3)CC2)c1 ZINC000332505734 484418825 /nfs/dbraw/zinc/41/88/25/484418825.db2.gz XMCNGSQFEMKUBP-ZIAGYGMSSA-N 2 0 361.446 -0.052 20 0 FBADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N3CCC[C@@H]([NH3+])C3)CC2)CC1 ZINC000332515872 484418928 /nfs/dbraw/zinc/41/89/28/484418928.db2.gz MLRVFDCILNQBLH-MRXNPFEDSA-N 2 0 365.522 -0.047 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)[C@@H](C)C[NH2+]1 ZINC000332516159 484417963 /nfs/dbraw/zinc/41/79/63/484417963.db2.gz HGMRXACIHMEVON-CABCVRRESA-N 2 0 352.479 -0.234 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)[C@@H](C)C[NH2+]1 ZINC000332516160 484419513 /nfs/dbraw/zinc/41/95/13/484419513.db2.gz HGMRXACIHMEVON-GJZGRUSLSA-N 2 0 352.479 -0.234 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)[C@H](C)C[NH2+]1 ZINC000332516161 484420241 /nfs/dbraw/zinc/42/02/41/484420241.db2.gz HGMRXACIHMEVON-HUUCEWRRSA-N 2 0 352.479 -0.234 20 0 FBADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000332516162 484419827 /nfs/dbraw/zinc/41/98/27/484419827.db2.gz HGMRXACIHMEVON-LSDHHAIUSA-N 2 0 352.479 -0.234 20 0 FBADRP [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000332522347 484419918 /nfs/dbraw/zinc/41/99/18/484419918.db2.gz LBBGUGSOJOSQSR-INIZCTEOSA-N 2 0 352.479 -0.103 20 0 FBADRP [NH3+]C[C@H]1CCCCN1C(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000332522350 484420354 /nfs/dbraw/zinc/42/03/54/484420354.db2.gz LBBGUGSOJOSQSR-MRXNPFEDSA-N 2 0 352.479 -0.103 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)[C@@H](C)C[NH2+]1 ZINC000332528060 484421786 /nfs/dbraw/zinc/42/17/86/484421786.db2.gz ONNKNPTVXWNUDV-CABCVRRESA-N 2 0 352.479 -0.234 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)[C@@H](C)C[NH2+]1 ZINC000332528062 484421128 /nfs/dbraw/zinc/42/11/28/484421128.db2.gz ONNKNPTVXWNUDV-GJZGRUSLSA-N 2 0 352.479 -0.234 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)[C@H](C)C[NH2+]1 ZINC000332528063 484421688 /nfs/dbraw/zinc/42/16/88/484421688.db2.gz ONNKNPTVXWNUDV-HUUCEWRRSA-N 2 0 352.479 -0.234 20 0 FBADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000332528065 484421444 /nfs/dbraw/zinc/42/14/44/484421444.db2.gz ONNKNPTVXWNUDV-LSDHHAIUSA-N 2 0 352.479 -0.234 20 0 FBADRP [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000332529018 484421398 /nfs/dbraw/zinc/42/13/98/484421398.db2.gz PDEJPDJZRCWQQE-INIZCTEOSA-N 2 0 352.479 -0.103 20 0 FBADRP [NH3+]C[C@H]1CCCCN1C(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000332529019 484421150 /nfs/dbraw/zinc/42/11/50/484421150.db2.gz PDEJPDJZRCWQQE-MRXNPFEDSA-N 2 0 352.479 -0.103 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)C[C@H](C)[NH2+]1 ZINC000332531642 484421575 /nfs/dbraw/zinc/42/15/75/484421575.db2.gz HJAFEYLCJRKQAJ-QLFBSQMISA-N 2 0 352.479 -0.093 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)C[C@@H](C)[NH2+]1 ZINC000332531645 484421262 /nfs/dbraw/zinc/42/12/62/484421262.db2.gz HJAFEYLCJRKQAJ-RBSFLKMASA-N 2 0 352.479 -0.093 20 0 FBADRP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000332531649 484421329 /nfs/dbraw/zinc/42/13/29/484421329.db2.gz HJAFEYLCJRKQAJ-SOUVJXGZSA-N 2 0 352.479 -0.093 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)C[C@H](C)[NH2+]1 ZINC000332533049 484421171 /nfs/dbraw/zinc/42/11/71/484421171.db2.gz GYECZEWEHSLCOJ-GASCZTMLSA-N 2 0 352.479 -0.234 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)C[C@H](C)[NH2+]1 ZINC000332533052 484421747 /nfs/dbraw/zinc/42/17/47/484421747.db2.gz GYECZEWEHSLCOJ-GJZGRUSLSA-N 2 0 352.479 -0.234 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)C[C@@H](C)[NH2+]1 ZINC000332533054 484421758 /nfs/dbraw/zinc/42/17/58/484421758.db2.gz GYECZEWEHSLCOJ-HUUCEWRRSA-N 2 0 352.479 -0.234 20 0 FBADRP CC1(C)CN(C(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)CC[NH2+]1 ZINC000332533928 484423268 /nfs/dbraw/zinc/42/32/68/484423268.db2.gz HUBGJYDWPVCIOK-UHFFFAOYSA-N 2 0 352.479 -0.232 20 0 FBADRP [NH3+]C[C@H]1CN(C(=O)C(=O)N2CC[NH+](CC3CCCCC3)CC2)CCO1 ZINC000332539520 484422597 /nfs/dbraw/zinc/42/25/97/484422597.db2.gz KCDBGQVVFRROAJ-INIZCTEOSA-N 2 0 352.479 -0.103 20 0 FBADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CC3CCCCC3)CC2)CCO1 ZINC000332539522 484422811 /nfs/dbraw/zinc/42/28/11/484422811.db2.gz KCDBGQVVFRROAJ-MRXNPFEDSA-N 2 0 352.479 -0.103 20 0 FBADRP CC1(C)CN(C(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)CC[NH2+]1 ZINC000332550592 484424517 /nfs/dbraw/zinc/42/45/17/484424517.db2.gz PLIJRXSBNGLKNX-UHFFFAOYSA-N 2 0 352.479 -0.232 20 0 FBADRP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)C1 ZINC000332555134 484424385 /nfs/dbraw/zinc/42/43/85/484424385.db2.gz RNWWSUCNVPESMX-CABCVRRESA-N 2 0 352.479 -0.092 20 0 FBADRP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)C1 ZINC000332555147 484424680 /nfs/dbraw/zinc/42/46/80/484424680.db2.gz RNWWSUCNVPESMX-HUUCEWRRSA-N 2 0 352.479 -0.092 20 0 FBADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000332563210 484425433 /nfs/dbraw/zinc/42/54/33/484425433.db2.gz WCZWSFNFJJALRT-CQSZACIVSA-N 2 0 352.479 -0.092 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)C[C@H](C)[NH2+]1 ZINC000332564516 484425681 /nfs/dbraw/zinc/42/56/81/484425681.db2.gz YNHUQWHYOGYDRY-GASCZTMLSA-N 2 0 352.479 -0.234 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)C[C@H](C)[NH2+]1 ZINC000332564520 484425831 /nfs/dbraw/zinc/42/58/31/484425831.db2.gz YNHUQWHYOGYDRY-GJZGRUSLSA-N 2 0 352.479 -0.234 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)C[C@@H](C)[NH2+]1 ZINC000332564523 484425129 /nfs/dbraw/zinc/42/51/29/484425129.db2.gz YNHUQWHYOGYDRY-HUUCEWRRSA-N 2 0 352.479 -0.234 20 0 FBADRP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)C1 ZINC000332566125 484426221 /nfs/dbraw/zinc/42/62/21/484426221.db2.gz ZHPRQFYYEUGIRA-INIZCTEOSA-N 2 0 352.479 -0.232 20 0 FBADRP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)C1 ZINC000332566126 484425348 /nfs/dbraw/zinc/42/53/48/484425348.db2.gz ZHPRQFYYEUGIRA-MRXNPFEDSA-N 2 0 352.479 -0.232 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3C[C@H](C)[NH2+]C[C@@H]3C)CC2)c1 ZINC000332569324 484425481 /nfs/dbraw/zinc/42/54/81/484425481.db2.gz YOSWFNNWWFESOX-KBPBESRZSA-N 2 0 361.446 -0.052 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3C[C@@H](C)[NH2+]C[C@@H]3C)CC2)c1 ZINC000332569325 484425235 /nfs/dbraw/zinc/42/52/35/484425235.db2.gz YOSWFNNWWFESOX-KGLIPLIRSA-N 2 0 361.446 -0.052 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3C[C@H](C)[NH2+]C[C@H]3C)CC2)c1 ZINC000332569326 484425521 /nfs/dbraw/zinc/42/55/21/484425521.db2.gz YOSWFNNWWFESOX-UONOGXRCSA-N 2 0 361.446 -0.052 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3C[C@@H](C)[NH2+]C[C@H]3C)CC2)c1 ZINC000332569327 484425950 /nfs/dbraw/zinc/42/59/50/484425950.db2.gz YOSWFNNWWFESOX-ZIAGYGMSSA-N 2 0 361.446 -0.052 20 0 FBADRP CC[C@@H]1CN(C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)C[C@@H]1N1CCOCC1 ZINC000332620180 484430196 /nfs/dbraw/zinc/43/01/96/484430196.db2.gz DTSWDTOGCKWMMQ-CABCVRRESA-N 2 0 352.479 -0.234 20 0 FBADRP CC[C@H]1CN(C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)C[C@@H]1N1CCOCC1 ZINC000332620182 484430601 /nfs/dbraw/zinc/43/06/01/484430601.db2.gz DTSWDTOGCKWMMQ-GJZGRUSLSA-N 2 0 352.479 -0.234 20 0 FBADRP CC[C@@H]1CN(C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)C[C@H]1N1CCOCC1 ZINC000332620184 484430464 /nfs/dbraw/zinc/43/04/64/484430464.db2.gz DTSWDTOGCKWMMQ-HUUCEWRRSA-N 2 0 352.479 -0.234 20 0 FBADRP CC[C@H]1CN(C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)C[C@H]1N1CCOCC1 ZINC000332620185 484430778 /nfs/dbraw/zinc/43/07/78/484430778.db2.gz DTSWDTOGCKWMMQ-LSDHHAIUSA-N 2 0 352.479 -0.234 20 0 FBADRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000332630793 484432255 /nfs/dbraw/zinc/43/22/55/484432255.db2.gz JLQHFJXKSDRHAZ-BZUAXINKSA-N 2 0 352.479 -0.139 20 0 FBADRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000332630795 484432715 /nfs/dbraw/zinc/43/27/15/484432715.db2.gz JLQHFJXKSDRHAZ-OAGGEKHMSA-N 2 0 352.479 -0.139 20 0 FBADRP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000332630797 484432203 /nfs/dbraw/zinc/43/22/03/484432203.db2.gz JLQHFJXKSDRHAZ-OWCLPIDISA-N 2 0 352.479 -0.139 20 0 FBADRP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000332630800 484431410 /nfs/dbraw/zinc/43/14/10/484431410.db2.gz JLQHFJXKSDRHAZ-PMPSAXMXSA-N 2 0 352.479 -0.139 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)CCO1 ZINC000332636892 484433955 /nfs/dbraw/zinc/43/39/55/484433955.db2.gz GRBBWZPEKWCTGP-DLBZAZTESA-N 2 0 366.506 -0.034 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)CCO1 ZINC000332636893 484434452 /nfs/dbraw/zinc/43/44/52/484434452.db2.gz GRBBWZPEKWCTGP-IAGOWNOFSA-N 2 0 366.506 -0.034 20 0 FBADRP C[NH+](C)C[C@H]1CN(C(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)CCO1 ZINC000332636895 484435016 /nfs/dbraw/zinc/43/50/16/484435016.db2.gz GRBBWZPEKWCTGP-IRXDYDNUSA-N 2 0 366.506 -0.034 20 0 FBADRP C[NH+](C)C[C@H]1CN(C(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)CCO1 ZINC000332636896 484433854 /nfs/dbraw/zinc/43/38/54/484433854.db2.gz GRBBWZPEKWCTGP-SJORKVTESA-N 2 0 366.506 -0.034 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)C[C@H](C)N1CCO ZINC000332641063 484433900 /nfs/dbraw/zinc/43/39/00/484433900.db2.gz RMHIICLESTWKTO-FZKCQIBNSA-N 2 0 352.479 -0.405 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)C[C@H](C)N1CCO ZINC000332641064 484434297 /nfs/dbraw/zinc/43/42/97/484434297.db2.gz RMHIICLESTWKTO-QKPAOTATSA-N 2 0 352.479 -0.405 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)C[C@H](C)N1CCO ZINC000332641065 484434715 /nfs/dbraw/zinc/43/47/15/484434715.db2.gz RMHIICLESTWKTO-QXSJWSMHSA-N 2 0 352.479 -0.405 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)C[C@H](C)N1CCO ZINC000332641066 484433870 /nfs/dbraw/zinc/43/38/70/484433870.db2.gz RMHIICLESTWKTO-XUWVNRHRSA-N 2 0 352.479 -0.405 20 0 FBADRP CC(C)[C@@H]1CN(C)CCN1C(=O)C(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000332642894 484434245 /nfs/dbraw/zinc/43/42/45/484434245.db2.gz JKRJVBVDNNFBSV-IKGGRYGDSA-N 2 0 366.506 -0.036 20 0 FBADRP CC(C)[C@@H]1CN(C)CCN1C(=O)C(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000332642897 484433704 /nfs/dbraw/zinc/43/37/04/484433704.db2.gz JKRJVBVDNNFBSV-IXDOHACOSA-N 2 0 366.506 -0.036 20 0 FBADRP CC(C)[C@@H]1CN(C)CCN1C(=O)C(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000332642901 484434508 /nfs/dbraw/zinc/43/45/08/484434508.db2.gz JKRJVBVDNNFBSV-ULQDDVLXSA-N 2 0 366.506 -0.036 20 0 FBADRP CC(C)[C@@H]1CN(C)CCN1C(=O)C(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000332642903 484433800 /nfs/dbraw/zinc/43/38/00/484433800.db2.gz JKRJVBVDNNFBSV-YESZJQIVSA-N 2 0 366.506 -0.036 20 0 FBADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N3CC[NH2+]C(C)(C)C3)C2)CC1 ZINC000332645463 484435458 /nfs/dbraw/zinc/43/54/58/484435458.db2.gz ISAQWUBFDMTTPA-HNNXBMFYSA-N 2 0 351.495 -0.565 20 0 FBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N3CC[NH2+]C(C)(C)C3)C2)CC1 ZINC000332645473 484436458 /nfs/dbraw/zinc/43/64/58/484436458.db2.gz ISAQWUBFDMTTPA-OAHLLOKOSA-N 2 0 351.495 -0.565 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)CCO1 ZINC000332647960 484435695 /nfs/dbraw/zinc/43/56/95/484435695.db2.gz XMXVAAWRNGVUSB-ARFHVFGLSA-N 2 0 352.479 -0.282 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CCO1 ZINC000332647963 484436226 /nfs/dbraw/zinc/43/62/26/484436226.db2.gz XMXVAAWRNGVUSB-BZUAXINKSA-N 2 0 352.479 -0.282 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CCO1 ZINC000332647966 484436376 /nfs/dbraw/zinc/43/63/76/484436376.db2.gz XMXVAAWRNGVUSB-OAGGEKHMSA-N 2 0 352.479 -0.282 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)CCO1 ZINC000332647968 484436735 /nfs/dbraw/zinc/43/67/35/484436735.db2.gz XMXVAAWRNGVUSB-XHSDSOJGSA-N 2 0 352.479 -0.282 20 0 FBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N3C[C@H](C)[NH2+]C[C@H]3C)C2)CC1 ZINC000332650321 484436831 /nfs/dbraw/zinc/43/68/31/484436831.db2.gz IEHXSOHYQLTUSO-ARFHVFGLSA-N 2 0 351.495 -0.566 20 0 FBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N3C[C@@H](C)[NH2+]C[C@H]3C)C2)CC1 ZINC000332650322 484436424 /nfs/dbraw/zinc/43/64/24/484436424.db2.gz IEHXSOHYQLTUSO-BZUAXINKSA-N 2 0 351.495 -0.566 20 0 FBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N3C[C@H](C)[NH2+]C[C@@H]3C)C2)CC1 ZINC000332650323 484436306 /nfs/dbraw/zinc/43/63/06/484436306.db2.gz IEHXSOHYQLTUSO-HRCADAONSA-N 2 0 351.495 -0.566 20 0 FBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N3C[C@@H](C)[NH2+]C[C@@H]3C)C2)CC1 ZINC000332650324 484435801 /nfs/dbraw/zinc/43/58/01/484435801.db2.gz IEHXSOHYQLTUSO-OWCLPIDISA-N 2 0 351.495 -0.566 20 0 FBADRP C[NH+](C)C[C@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CCO1 ZINC000332665901 484437694 /nfs/dbraw/zinc/43/76/94/484437694.db2.gz OHRPCRDEWGLJMM-CVEARBPZSA-N 2 0 352.479 -0.138 20 0 FBADRP C[NH+](C)C[C@H]1CN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CCO1 ZINC000332666280 484437330 /nfs/dbraw/zinc/43/73/30/484437330.db2.gz OHRPCRDEWGLJMM-HOTGVXAUSA-N 2 0 352.479 -0.138 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CCO1 ZINC000332666283 484437434 /nfs/dbraw/zinc/43/74/34/484437434.db2.gz OHRPCRDEWGLJMM-HZPDHXFCSA-N 2 0 352.479 -0.138 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CCO1 ZINC000332666287 484438168 /nfs/dbraw/zinc/43/81/68/484438168.db2.gz OHRPCRDEWGLJMM-JKSUJKDBSA-N 2 0 352.479 -0.138 20 0 FBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N3C[C@@H](C)[NH2+][C@H](C)C3)C2)CC1 ZINC000332685724 484440095 /nfs/dbraw/zinc/44/00/95/484440095.db2.gz SKXPFHPPRNHGMR-BZUAXINKSA-N 2 0 351.495 -0.566 20 0 FBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N3C[C@H](C)[NH2+][C@@H](C)C3)C2)CC1 ZINC000332685725 484440535 /nfs/dbraw/zinc/44/05/35/484440535.db2.gz SKXPFHPPRNHGMR-HRCADAONSA-N 2 0 351.495 -0.566 20 0 FBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N3C[C@@H](C)[NH2+][C@@H](C)C3)C2)CC1 ZINC000332685726 484441149 /nfs/dbraw/zinc/44/11/49/484441149.db2.gz SKXPFHPPRNHGMR-OWCLPIDISA-N 2 0 351.495 -0.566 20 0 FBADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N3C[C@@H](C)[NH2+][C@@H](C)C3)C2)CC1 ZINC000332685727 484440666 /nfs/dbraw/zinc/44/06/66/484440666.db2.gz SKXPFHPPRNHGMR-XHSDSOJGSA-N 2 0 351.495 -0.566 20 0 FBADRP C[C@H](CNC(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1)C[NH+]1CCN(C)CC1 ZINC000332751321 484266312 /nfs/dbraw/zinc/26/63/12/484266312.db2.gz CBEBDOXASGIFOB-BRWVUGGUSA-N 2 0 353.511 -0.016 20 0 FBADRP C[C@H](CNC(=O)N1CC[C@H]2OCCN(C)[C@H]2C1)C[NH+]1CCN(C)CC1 ZINC000332751322 484266553 /nfs/dbraw/zinc/26/65/53/484266553.db2.gz CBEBDOXASGIFOB-IXDOHACOSA-N 2 0 353.511 -0.016 20 0 FBADRP C[C@@](O)(CNC(=O)[C@@H]1COCCN1C1CCCC1)CN1CCOCC1 ZINC000332834377 484637502 /nfs/dbraw/zinc/63/75/02/484637502.db2.gz HJSUSCDNHAEJDW-FUHWJXTLSA-N 2 0 355.479 -0.171 20 0 FBADRP C[C@@](O)(CNC(=O)[C@H]1COCCN1C1CCCC1)CN1CCOCC1 ZINC000332834378 484637147 /nfs/dbraw/zinc/63/71/47/484637147.db2.gz HJSUSCDNHAEJDW-SJLPKXTDSA-N 2 0 355.479 -0.171 20 0 FBADRP C[NH+]1CCC[C@H]1C(=O)NC1(CNC(=O)[C@@H]2CCC[N@H+]2C)CCOCC1 ZINC000332893465 484287072 /nfs/dbraw/zinc/28/70/72/484287072.db2.gz VWOZDYWQBYSROK-GJZGRUSLSA-N 2 0 352.479 -0.044 20 0 FBADRP C[NH+]1CCC[C@@H]1C(=O)NC1(CNC(=O)[C@H]2CCC[N@H+]2C)CCOCC1 ZINC000332893466 484288119 /nfs/dbraw/zinc/28/81/19/484288119.db2.gz VWOZDYWQBYSROK-HUUCEWRRSA-N 2 0 352.479 -0.044 20 0 FBADRP C[NH+]1CCC[C@@H]1C(=O)NC1(CNC(=O)[C@@H]2CCC[N@H+]2C)CCOCC1 ZINC000332893467 484287987 /nfs/dbraw/zinc/28/79/87/484287987.db2.gz VWOZDYWQBYSROK-LSDHHAIUSA-N 2 0 352.479 -0.044 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCO[C@]3(CCOC3)C2)C1 ZINC000332921528 484639633 /nfs/dbraw/zinc/63/96/33/484639633.db2.gz MDWYSARDTZNTAZ-FUHWJXTLSA-N 2 0 355.479 -0.049 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCO[C@@]3(CCOC3)C2)C1 ZINC000332921530 484639878 /nfs/dbraw/zinc/63/98/78/484639878.db2.gz MDWYSARDTZNTAZ-WMZOPIPTSA-N 2 0 355.479 -0.049 20 0 FBADRP CCCNC(=O)CN1CCC(NC(=O)N2C[C@@H]3OCCN(C)[C@H]3C2)CC1 ZINC000332969472 484997987 /nfs/dbraw/zinc/99/79/87/484997987.db2.gz KKHIKTDNQMNNDF-HOTGVXAUSA-N 2 0 367.494 -0.299 20 0 FBADRP CCCNC(=O)CN1CCC(NC(=O)N2C[C@H]3OCCN(C)[C@@H]3C2)CC1 ZINC000332969473 484997670 /nfs/dbraw/zinc/99/76/70/484997670.db2.gz KKHIKTDNQMNNDF-HZPDHXFCSA-N 2 0 367.494 -0.299 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000332976207 484316752 /nfs/dbraw/zinc/31/67/52/484316752.db2.gz HCLGBNDFSZHAQK-IKGGRYGDSA-N 2 0 353.511 -0.091 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000332976208 484316955 /nfs/dbraw/zinc/31/69/55/484316955.db2.gz HCLGBNDFSZHAQK-IXDOHACOSA-N 2 0 353.511 -0.091 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000332976871 484316649 /nfs/dbraw/zinc/31/66/49/484316649.db2.gz LYPQVIQMFLJDPG-HOTGVXAUSA-N 2 0 366.510 -0.820 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000332976878 484318973 /nfs/dbraw/zinc/31/89/73/484318973.db2.gz LYPQVIQMFLJDPG-JKSUJKDBSA-N 2 0 366.510 -0.820 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@]3(CNC(=O)C3)C2)C1 ZINC000333093227 484449766 /nfs/dbraw/zinc/44/97/66/484449766.db2.gz ZYVVGHOHQUBMOQ-CRAIPNDOSA-N 2 0 352.479 -0.329 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@@]3(CNC(=O)C3)C2)C1 ZINC000333093229 484449826 /nfs/dbraw/zinc/44/98/26/484449826.db2.gz ZYVVGHOHQUBMOQ-MAUKXSAKSA-N 2 0 352.479 -0.329 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@]3(CNC(=O)C3)C2)C1 ZINC000333093232 484450672 /nfs/dbraw/zinc/45/06/72/484450672.db2.gz ZYVVGHOHQUBMOQ-QAPCUYQASA-N 2 0 352.479 -0.329 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@]3(CNC(=O)C3)C2)C1 ZINC000333093234 484450246 /nfs/dbraw/zinc/45/02/46/484450246.db2.gz ZYVVGHOHQUBMOQ-YJBOKZPZSA-N 2 0 352.479 -0.329 20 0 FBADRP C[C@@H]1C[C@@H](C[NH+]2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)CC[NH2+]1 ZINC000333194592 484456426 /nfs/dbraw/zinc/45/64/26/484456426.db2.gz VWUQMRFWANAFER-CVEARBPZSA-N 2 0 359.540 -0.516 20 0 FBADRP C[C@H]1C[C@@H](C[NH+]2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)CC[NH2+]1 ZINC000333194593 484456876 /nfs/dbraw/zinc/45/68/76/484456876.db2.gz VWUQMRFWANAFER-HOTGVXAUSA-N 2 0 359.540 -0.516 20 0 FBADRP C[C@@H]1C[C@H](C[NH+]2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)CC[NH2+]1 ZINC000333194594 484456619 /nfs/dbraw/zinc/45/66/19/484456619.db2.gz VWUQMRFWANAFER-HZPDHXFCSA-N 2 0 359.540 -0.516 20 0 FBADRP C[C@H]1C[C@H](C[NH+]2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)CC[NH2+]1 ZINC000333194595 484456681 /nfs/dbraw/zinc/45/66/81/484456681.db2.gz VWUQMRFWANAFER-JKSUJKDBSA-N 2 0 359.540 -0.516 20 0 FBADRP C[C@@H]1CC2(C[N@@H+]1CCn1cnc3c1c(=O)n(C)c(=O)n3C)CC[NH2+]CC2 ZINC000333552617 245019953 /nfs/dbraw/zinc/01/99/53/245019953.db2.gz JSGYRDHFMYBLGJ-CYBMUJFWSA-N 2 0 360.462 -0.102 20 0 FBADRP C[C@H]1CC2(C[N@@H+]1CCn1cnc3c1c(=O)n(C)c(=O)n3C)CC[NH2+]CC2 ZINC000333552626 245019860 /nfs/dbraw/zinc/01/98/60/245019860.db2.gz JSGYRDHFMYBLGJ-ZDUSSCGKSA-N 2 0 360.462 -0.102 20 0 FBADRP Cn1cc([C@@H]2CN(C(=O)NCCN3CC[N@H+](C)C(C)(C)C3)C[C@H]2[NH3+])cn1 ZINC000333590878 245019674 /nfs/dbraw/zinc/01/96/74/245019674.db2.gz PCOPCQFRXMSDNH-JKSUJKDBSA-N 2 0 363.510 -0.118 20 0 FBADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)NC[C@@H]3C[NH2+]CCO3)CC2)C1 ZINC000333697246 535222618 /nfs/dbraw/zinc/22/26/18/535222618.db2.gz QJQQEDCHWGPAGI-DLBZAZTESA-N 2 0 369.510 -0.589 20 0 FBADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)NC[C@H]3C[NH2+]CCO3)CC2)C1 ZINC000333697249 535222277 /nfs/dbraw/zinc/22/22/77/535222277.db2.gz QJQQEDCHWGPAGI-IAGOWNOFSA-N 2 0 369.510 -0.589 20 0 FBADRP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)NC[C@@H]3C[NH2+]CCO3)CC2)C1 ZINC000333697250 535213036 /nfs/dbraw/zinc/21/30/36/535213036.db2.gz QJQQEDCHWGPAGI-IRXDYDNUSA-N 2 0 369.510 -0.589 20 0 FBADRP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)NC[C@H]3C[NH2+]CCO3)CC2)C1 ZINC000333697252 535212890 /nfs/dbraw/zinc/21/28/90/535212890.db2.gz QJQQEDCHWGPAGI-SJORKVTESA-N 2 0 369.510 -0.589 20 0 FBADRP C[C@H]1CN(CCO)CCN1C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000333711664 245026202 /nfs/dbraw/zinc/02/62/02/245026202.db2.gz SKGZQGATWRMDHF-GTPINHCMSA-N 2 0 353.511 -0.089 20 0 FBADRP C[C@@H]1CN(CCO)CCN1C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000333711665 245025842 /nfs/dbraw/zinc/02/58/42/245025842.db2.gz SKGZQGATWRMDHF-KLAILNCOSA-N 2 0 353.511 -0.089 20 0 FBADRP CN(C)C(=O)CN1CCC(NC(=O)NCC[N@@H+]2CCCOCC2)CC1 ZINC000333714523 245027887 /nfs/dbraw/zinc/02/78/87/245027887.db2.gz MUADDQUUDSXDJI-UHFFFAOYSA-N 2 0 355.483 -0.440 20 0 FBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000333806645 536389316 /nfs/dbraw/zinc/38/93/16/536389316.db2.gz IOYOGCJKDNZJAR-CABCVRRESA-N 2 0 353.467 -0.687 20 0 FBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000333806650 536389425 /nfs/dbraw/zinc/38/94/25/536389425.db2.gz IOYOGCJKDNZJAR-GJZGRUSLSA-N 2 0 353.467 -0.687 20 0 FBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000333806656 536368053 /nfs/dbraw/zinc/36/80/53/536368053.db2.gz IOYOGCJKDNZJAR-HUUCEWRRSA-N 2 0 353.467 -0.687 20 0 FBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000333806660 536367891 /nfs/dbraw/zinc/36/78/91/536367891.db2.gz IOYOGCJKDNZJAR-LSDHHAIUSA-N 2 0 353.467 -0.687 20 0 FBADRP CN1CCN(S(=O)(=O)N2CC[NH+](CC[C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC000333819464 245030316 /nfs/dbraw/zinc/03/03/16/245030316.db2.gz HGZYKDUNXGEWJC-INIZCTEOSA-N 2 0 359.540 -0.514 20 0 FBADRP CN1CCN(S(=O)(=O)N2CC[NH+](CC[C@H]3CCC[NH2+]C3)CC2)CC1 ZINC000333819468 245029512 /nfs/dbraw/zinc/02/95/12/245029512.db2.gz HGZYKDUNXGEWJC-MRXNPFEDSA-N 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C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCC[NH+]2CCCOCC2)CC1 ZINC000334088273 536388972 /nfs/dbraw/zinc/38/89/72/536388972.db2.gz MRMKZYHWTWCMDW-INIZCTEOSA-N 2 0 367.494 -0.343 20 0 FBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC[NH+]2CCCOCC2)CC1 ZINC000334088282 536368440 /nfs/dbraw/zinc/36/84/40/536368440.db2.gz MRMKZYHWTWCMDW-MRXNPFEDSA-N 2 0 367.494 -0.343 20 0 FBADRP O=C1[C@@H]2CNC(=O)CN2C(=O)N1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000348395592 484143505 /nfs/dbraw/zinc/14/35/05/484143505.db2.gz UKTCLTKEQGSOBH-HNNXBMFYSA-N 2 0 372.429 -0.644 20 0 FBADRP O=C1[C@H]2CNC(=O)CN2C(=O)N1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000348395594 484142883 /nfs/dbraw/zinc/14/28/83/484142883.db2.gz UKTCLTKEQGSOBH-OAHLLOKOSA-N 2 0 372.429 -0.644 20 0 FBADRP CCN1CCO[C@H](CN2CCN(C(=O)NCC[N@H+](C)CCOC)CC2)C1 ZINC000361439110 245060242 /nfs/dbraw/zinc/06/02/42/245060242.db2.gz FVRADJQECBVUCQ-KRWDZBQOSA-N 2 0 371.526 -0.388 20 0 FBADRP CCN1CCO[C@@H](CN2CCN(C(=O)NCC[N@H+](C)CCOC)CC2)C1 ZINC000361439111 245058224 /nfs/dbraw/zinc/05/82/24/245058224.db2.gz FVRADJQECBVUCQ-QGZVFWFLSA-N 2 0 371.526 -0.388 20 0 FBADRP CCN1CCO[C@H](CN2CC[NH+](CCC(=O)NCC(=O)OC)CC2)C1 ZINC000361939545 245067116 /nfs/dbraw/zinc/06/71/16/245067116.db2.gz NRCGZWDFQBLMTM-HNNXBMFYSA-N 2 0 356.467 -0.996 20 0 FBADRP CCN1CCO[C@@H](CN2CC[NH+](CCC(=O)NCC(=O)OC)CC2)C1 ZINC000361939546 245065688 /nfs/dbraw/zinc/06/56/88/245065688.db2.gz NRCGZWDFQBLMTM-OAHLLOKOSA-N 2 0 356.467 -0.996 20 0 FBADRP CCN1C(=O)[C@@H]2CN(Cc3cnc(N4CCN(C)CC4)nc3)CCN2C1=O ZINC000362010322 245064865 /nfs/dbraw/zinc/06/48/65/245064865.db2.gz JTFBTCBREBAQQJ-HNNXBMFYSA-N 2 0 373.461 -0.303 20 0 FBADRP CCN1C(=O)[C@H]2CN(Cc3cnc(N4CCN(C)CC4)nc3)CCN2C1=O ZINC000362010335 245067152 /nfs/dbraw/zinc/06/71/52/245067152.db2.gz JTFBTCBREBAQQJ-OAHLLOKOSA-N 2 0 373.461 -0.303 20 0 FBADRP CCN1CCN(C(=O)[C@@H](C)[NH+]2CCC3(CC2)NC(=O)N(C)C3=O)CC1 ZINC000362064238 245066319 /nfs/dbraw/zinc/06/63/19/245066319.db2.gz QEMHKEHJEMAUAI-CYBMUJFWSA-N 2 0 351.451 -0.445 20 0 FBADRP C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000362120569 245066606 /nfs/dbraw/zinc/06/66/06/245066606.db2.gz WGDUHFLTOGGHOE-DLBZAZTESA-N 2 0 363.506 -0.469 20 0 FBADRP C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000362120570 245067840 /nfs/dbraw/zinc/06/78/40/245067840.db2.gz WGDUHFLTOGGHOE-IAGOWNOFSA-N 2 0 363.506 -0.469 20 0 FBADRP C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000362120572 245067526 /nfs/dbraw/zinc/06/75/26/245067526.db2.gz WGDUHFLTOGGHOE-IRXDYDNUSA-N 2 0 363.506 -0.469 20 0 FBADRP C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000362120575 245065603 /nfs/dbraw/zinc/06/56/03/245065603.db2.gz WGDUHFLTOGGHOE-SJORKVTESA-N 2 0 363.506 -0.469 20 0 FBADRP CN1CCN(C(=O)C[N@H+](C)C2CCN(CC(=O)N3CCCC3)CC2)CC1 ZINC000362340318 245070087 /nfs/dbraw/zinc/07/00/87/245070087.db2.gz KWFPAWVALJSKPZ-UHFFFAOYSA-N 2 0 365.522 -0.221 20 0 FBADRP CC[N@@H+]1CCCN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000362354513 245069624 /nfs/dbraw/zinc/06/96/24/245069624.db2.gz UXALNVPVYJRGJY-INIZCTEOSA-N 2 0 352.479 -0.279 20 0 FBADRP CC[N@@H+]1CCCN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000362354514 245069049 /nfs/dbraw/zinc/06/90/49/245069049.db2.gz UXALNVPVYJRGJY-MRXNPFEDSA-N 2 0 352.479 -0.279 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCC(NC(N)=O)CC2)C1 ZINC000363115427 245092149 /nfs/dbraw/zinc/09/21/49/245092149.db2.gz NAXFFOBCINDCBY-OAHLLOKOSA-N 2 0 355.483 -0.408 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000363147679 245093334 /nfs/dbraw/zinc/09/33/34/245093334.db2.gz YHTYVDQNXJXBJA-INIZCTEOSA-N 2 0 351.495 -0.611 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000363147680 245092994 /nfs/dbraw/zinc/09/29/94/245092994.db2.gz YHTYVDQNXJXBJA-MRXNPFEDSA-N 2 0 351.495 -0.611 20 0 FBADRP CCN1CCN(C(=O)[C@@H](C)N2CCCN(CC(=O)N(C)C)CC2)CC1 ZINC000363216611 245100765 /nfs/dbraw/zinc/10/07/65/245100765.db2.gz ZNUWGWLFAZMIGI-MRXNPFEDSA-N 2 0 353.511 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CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CC(=O)N(CC[NH+](C)C)C3)C2)CC1 ZINC000363301805 245105542 /nfs/dbraw/zinc/10/55/42/245105542.db2.gz CALFJXXPXIKOMX-SJORKVTESA-N 2 0 365.522 -0.365 20 0 FBADRP C[NH+](C)CCN1C[C@H](C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1=O ZINC000363303916 535880629 /nfs/dbraw/zinc/88/06/29/535880629.db2.gz WFKICNRTHPCISM-BZUAXINKSA-N 2 0 352.479 -0.546 20 0 FBADRP C[NH+](C)CCN1C[C@H](C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1=O ZINC000363303917 535880023 /nfs/dbraw/zinc/88/00/23/535880023.db2.gz WFKICNRTHPCISM-OAGGEKHMSA-N 2 0 352.479 -0.546 20 0 FBADRP C[NH+](C)CCN1C[C@H](C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1=O ZINC000363303918 535879964 /nfs/dbraw/zinc/87/99/64/535879964.db2.gz WFKICNRTHPCISM-OWCLPIDISA-N 2 0 352.479 -0.546 20 0 FBADRP C[NH+](C)CCN1C[C@H](C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1=O ZINC000363303919 535880859 /nfs/dbraw/zinc/88/08/59/535880859.db2.gz WFKICNRTHPCISM-PMPSAXMXSA-N 2 0 352.479 -0.546 20 0 FBADRP C[NH+](C)C1CCN(CCNC(=O)Cn2nc3n(c2=O)CCCCC3)CC1 ZINC000363348552 245109957 /nfs/dbraw/zinc/10/99/57/245109957.db2.gz PQMHKEUTKRXSRN-UHFFFAOYSA-N 2 0 364.494 -0.087 20 0 FBADRP O=C(NCCC[NH+]1CCCC1)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000363387769 245113690 /nfs/dbraw/zinc/11/36/90/245113690.db2.gz KGNJQSCYNSOWKL-INIZCTEOSA-N 2 0 352.479 -0.231 20 0 FBADRP O=C(NCCC[NH+]1CCCC1)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000363387770 245112295 /nfs/dbraw/zinc/11/22/95/245112295.db2.gz KGNJQSCYNSOWKL-MRXNPFEDSA-N 2 0 352.479 -0.231 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000363465470 245116386 /nfs/dbraw/zinc/11/63/86/245116386.db2.gz OJBWULRPMKQJMS-HOTGVXAUSA-N 2 0 352.479 -0.232 20 0 FBADRP CNC(=O)CN1CCCN(C(=O)N[C@H](C)[C@H](C)N2CCOCC2)CC1 ZINC000363486487 245115914 /nfs/dbraw/zinc/11/59/14/245115914.db2.gz DOOJLGPYWHTFQT-CABCVRRESA-N 2 0 355.483 -0.441 20 0 FBADRP CNC(=O)CN1CCCN(C(=O)N[C@@H](C)[C@H](C)N2CCOCC2)CC1 ZINC000363486490 245115676 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369.510 -0.587 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000363553192 245120970 /nfs/dbraw/zinc/12/09/70/245120970.db2.gz MXMBBAOLFKWMOC-SJORKVTESA-N 2 0 369.510 -0.587 20 0 FBADRP CCN1CCO[C@H](C(=O)N2CCC[C@@H](C(=O)N3CCN(C)CC3)C2)C1 ZINC000363565179 245119685 /nfs/dbraw/zinc/11/96/85/245119685.db2.gz XKIMHDMWSFRDFI-CVEARBPZSA-N 2 0 352.479 -0.280 20 0 FBADRP CCN1CCO[C@@H](C(=O)N2CCC[C@@H](C(=O)N3CCN(C)CC3)C2)C1 ZINC000363565180 245119594 /nfs/dbraw/zinc/11/95/94/245119594.db2.gz XKIMHDMWSFRDFI-HZPDHXFCSA-N 2 0 352.479 -0.280 20 0 FBADRP Cn1cc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c(=O)n(C)c1=O ZINC000363866189 245141751 /nfs/dbraw/zinc/14/17/51/245141751.db2.gz HLIYDBVOJMDKRX-UHFFFAOYSA-N 2 0 363.506 -0.067 20 0 FBADRP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)c2n[nH]c3c2C[NH2+]CC3)c1 ZINC000364212124 483522764 /nfs/dbraw/zinc/52/27/64/483522764.db2.gz PPHGUXHCAWTJKY-UHFFFAOYSA-N 2 0 364.431 -0.455 20 0 FBADRP COC(=O)c1cn(CC(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)nn1 ZINC000364337796 245168099 /nfs/dbraw/zinc/16/80/99/245168099.db2.gz HDOBFVKYKWADLB-AWEZNQCLSA-N 2 0 364.450 -0.308 20 0 FBADRP COC(=O)c1cn(CC(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)nn1 ZINC000364337800 245165803 /nfs/dbraw/zinc/16/58/03/245165803.db2.gz HDOBFVKYKWADLB-CQSZACIVSA-N 2 0 364.450 -0.308 20 0 FBADRP C[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000364412419 245170391 /nfs/dbraw/zinc/17/03/91/245170391.db2.gz NCEOQOFQLUGHHW-DLBZAZTESA-N 2 0 353.511 -0.014 20 0 FBADRP C[NH+](C)C[C@H]1CCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000364412423 535962872 /nfs/dbraw/zinc/96/28/72/535962872.db2.gz NCEOQOFQLUGHHW-IAGOWNOFSA-N 2 0 353.511 -0.014 20 0 FBADRP C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000364412424 245171355 /nfs/dbraw/zinc/17/13/55/245171355.db2.gz NCEOQOFQLUGHHW-IRXDYDNUSA-N 2 0 353.511 -0.014 20 0 FBADRP C[NH+](C)C[C@H]1CCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000364412425 535964061 /nfs/dbraw/zinc/96/40/61/535964061.db2.gz NCEOQOFQLUGHHW-SJORKVTESA-N 2 0 353.511 -0.014 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCC[C@@H](OCCO)C2)C1 ZINC000364544651 245175385 /nfs/dbraw/zinc/17/53/85/245175385.db2.gz LXJYSHXBCTWDQR-IAGOWNOFSA-N 2 0 357.495 -0.067 20 0 FBADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CCC[N@H+](CC(C)(C)O)CC2)CC1=O ZINC000364601988 535877697 /nfs/dbraw/zinc/87/76/97/535877697.db2.gz DTEIZUJWVPOXNU-HNNXBMFYSA-N 2 0 354.495 -0.298 20 0 FBADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCC[N@H+](CC(C)(C)O)CC2)CC1=O ZINC000364601989 535880168 /nfs/dbraw/zinc/88/01/68/535880168.db2.gz DTEIZUJWVPOXNU-OAHLLOKOSA-N 2 0 354.495 -0.298 20 0 FBADRP O=C(NCC[N@@H+]1CCCOCC1)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000364731315 245193003 /nfs/dbraw/zinc/19/30/03/245193003.db2.gz AJEMCWDMCHWUEX-KRWDZBQOSA-N 2 0 369.510 -0.586 20 0 FBADRP O=C(NCC[N@@H+]1CCCOCC1)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000364731316 245192131 /nfs/dbraw/zinc/19/21/31/245192131.db2.gz AJEMCWDMCHWUEX-QGZVFWFLSA-N 2 0 369.510 -0.586 20 0 FBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCCC23CC[NH+](C)CC3)n1 ZINC000364781890 484097175 /nfs/dbraw/zinc/09/71/75/484097175.db2.gz WQXNPHJHGTVWTF-UHFFFAOYSA-N 2 0 362.478 0.470 20 0 FBADRP COCC[C@@]1(C(=O)Nc2cccc(S(=O)(=O)NCC[NH3+])c2)CC[NH2+]C1 ZINC000364879956 245201910 /nfs/dbraw/zinc/20/19/10/245201910.db2.gz XQNKTGUJCSIUER-INIZCTEOSA-N 2 0 370.475 -0.122 20 0 FBADRP COCC[C@]1(C(=O)Nc2cccc(S(=O)(=O)NCC[NH3+])c2)CC[NH2+]C1 ZINC000364879970 245200510 /nfs/dbraw/zinc/20/05/10/245200510.db2.gz XQNKTGUJCSIUER-MRXNPFEDSA-N 2 0 370.475 -0.122 20 0 FBADRP CN1CCN(c2cc(N3CCN([C@H]4CCC[N@H+](C)C4)CC3)ncn2)CC1=O ZINC000364911057 245201382 /nfs/dbraw/zinc/20/13/82/245201382.db2.gz XKAZMSHQDCRWBL-INIZCTEOSA-N 2 0 373.505 -0.029 20 0 FBADRP CN1CCN(c2cc(N3CCN([C@@H]4CCC[N@H+](C)C4)CC3)ncn2)CC1=O ZINC000364911058 245200691 /nfs/dbraw/zinc/20/06/91/245200691.db2.gz XKAZMSHQDCRWBL-MRXNPFEDSA-N 2 0 373.505 -0.029 20 0 FBADRP Cc1cn2c(n1)CC[C@@H]([NH2+][C@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O)C2 ZINC000365082712 245209437 /nfs/dbraw/zinc/20/94/37/245209437.db2.gz OCBFLFQVVHCGBG-GHMZBOCLSA-N 2 0 360.418 -0.653 20 0 FBADRP Cc1cn2c(n1)CC[C@H]([NH2+][C@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O)C2 ZINC000365082715 245211659 /nfs/dbraw/zinc/21/16/59/245211659.db2.gz OCBFLFQVVHCGBG-MNOVXSKESA-N 2 0 360.418 -0.653 20 0 FBADRP Cc1cn2c(n1)CC[C@H]([NH2+][C@@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O)C2 ZINC000365082716 245210954 /nfs/dbraw/zinc/21/09/54/245210954.db2.gz OCBFLFQVVHCGBG-QWRGUYRKSA-N 2 0 360.418 -0.653 20 0 FBADRP Cc1cn2c(n1)CC[C@@H]([NH2+][C@@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O)C2 ZINC000365082717 245209500 /nfs/dbraw/zinc/20/95/00/245209500.db2.gz OCBFLFQVVHCGBG-WDEREUQCSA-N 2 0 360.418 -0.653 20 0 FBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000365085146 536741184 /nfs/dbraw/zinc/74/11/84/536741184.db2.gz NBVPRALVYYTVCK-JKSUJKDBSA-N 2 0 362.478 -0.128 20 0 FBADRP CCS(=O)(=O)NCCN1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000365145436 245214804 /nfs/dbraw/zinc/21/48/04/245214804.db2.gz SXDTYLQLARHEOD-UHFFFAOYSA-N 2 0 360.524 -0.198 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C)C2(CO)CCOCC2)C1 ZINC000365270364 535110077 /nfs/dbraw/zinc/11/00/77/535110077.db2.gz VWVDXMBPKHSIBW-INIZCTEOSA-N 2 0 357.495 -0.067 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)C2(CO)CCOCC2)C1 ZINC000365270365 245222570 /nfs/dbraw/zinc/22/25/70/245222570.db2.gz VWVDXMBPKHSIBW-MRXNPFEDSA-N 2 0 357.495 -0.067 20 0 FBADRP O=S(=O)(CC[NH+]1CCCC1)N1CCC(O)(CN2CCOCC2)CC1 ZINC000365415728 245227318 /nfs/dbraw/zinc/22/73/18/245227318.db2.gz JTVJDCMLOQDDGH-UHFFFAOYSA-N 2 0 361.508 -0.429 20 0 FBADRP C[NH+]1C[C@H]2CN(C(=O)COCC(=O)N3C[C@@H]4C[N@H+](C)C[C@@H]4C3)C[C@H]2C1 ZINC000365506801 536489102 /nfs/dbraw/zinc/48/91/02/536489102.db2.gz JLJXODIJDKKYJL-GEEKYZPCSA-N 2 0 350.463 -0.957 20 0 FBADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3CC(=O)N(CC[NH+](C)C)C3)C2)CC1 ZINC000365695971 245241385 /nfs/dbraw/zinc/24/13/85/245241385.db2.gz MWWCUHMNDHRLJV-CVEARBPZSA-N 3 0 365.522 -0.319 20 0 FBADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3CC(=O)N(CC[NH+](C)C)C3)C2)CC1 ZINC000365695973 535879819 /nfs/dbraw/zinc/87/98/19/535879819.db2.gz MWWCUHMNDHRLJV-HOTGVXAUSA-N 2 0 365.522 -0.319 20 0 FBADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]3CC(=O)N(CC[NH+](C)C)C3)C2)CC1 ZINC000365695974 245242123 /nfs/dbraw/zinc/24/21/23/245242123.db2.gz MWWCUHMNDHRLJV-HZPDHXFCSA-N 3 0 365.522 -0.319 20 0 FBADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H]3CC(=O)N(CC[NH+](C)C)C3)C2)CC1 ZINC000365695975 535879574 /nfs/dbraw/zinc/87/95/74/535879574.db2.gz MWWCUHMNDHRLJV-JKSUJKDBSA-N 2 0 365.522 -0.319 20 0 FBADRP CC[C@H](CNC(=O)[C@H]1CN(CC)CCO1)NC(=O)[C@H]1CN(CC)CCO1 ZINC000365696776 245240341 /nfs/dbraw/zinc/24/03/41/245240341.db2.gz TWLCYZZBEJPWRO-BZUAXINKSA-N 2 0 370.494 -0.561 20 0 FBADRP CC[C@H](CNC(=O)[C@H]1CN(CC)CCO1)NC(=O)[C@@H]1CN(CC)CCO1 ZINC000365696777 245242440 /nfs/dbraw/zinc/24/24/40/245242440.db2.gz TWLCYZZBEJPWRO-OAGGEKHMSA-N 2 0 370.494 -0.561 20 0 FBADRP CC[C@H](CNC(=O)[C@@H]1CN(CC)CCO1)NC(=O)[C@H]1CN(CC)CCO1 ZINC000365696778 245241586 /nfs/dbraw/zinc/24/15/86/245241586.db2.gz TWLCYZZBEJPWRO-OWCLPIDISA-N 2 0 370.494 -0.561 20 0 FBADRP CC[C@H](CNC(=O)[C@@H]1CN(CC)CCO1)NC(=O)[C@@H]1CN(CC)CCO1 ZINC000365696779 245240777 /nfs/dbraw/zinc/24/07/77/245240777.db2.gz TWLCYZZBEJPWRO-PMPSAXMXSA-N 2 0 370.494 -0.561 20 0 FBADRP CCN1CCO[C@H](CN2CCN(C(=O)NCc3cncn3C)CC2)C1 ZINC000365702505 245241408 /nfs/dbraw/zinc/24/14/08/245241408.db2.gz FXTCRFMQDGZWAH-INIZCTEOSA-N 2 0 350.467 -0.032 20 0 FBADRP CCN1CCO[C@@H](CN2CCN(C(=O)NCc3cncn3C)CC2)C1 ZINC000365702518 245242369 /nfs/dbraw/zinc/24/23/69/245242369.db2.gz FXTCRFMQDGZWAH-MRXNPFEDSA-N 2 0 350.467 -0.032 20 0 FBADRP CCOC1CC(CNC(=O)NC[C@@](C)(O)C[NH+](C)C)(N2CCOCC2)C1 ZINC000365836276 245251142 /nfs/dbraw/zinc/25/11/42/245251142.db2.gz OMHCTXLMDOGEAA-IIIMJFFVSA-N 2 0 372.510 -0.132 20 0 FBADRP CCOC1CC(CNC(=O)NC[C@](C)(O)C[NH+](C)C)(N2CCOCC2)C1 ZINC000365836278 245251380 /nfs/dbraw/zinc/25/13/80/245251380.db2.gz OMHCTXLMDOGEAA-NXYGQSRBSA-N 2 0 372.510 -0.132 20 0 FBADRP NC(=O)CN1CCc2ccc(NC(=O)[C@@H]3C[N@@H+]4CCN3CCC4)cc2C1 ZINC000366080826 483933535 /nfs/dbraw/zinc/93/35/35/483933535.db2.gz BGKUZWAGNKCDLT-KRWDZBQOSA-N 2 0 357.458 -0.142 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2C[C@@H](C)[NH+](CCO)[C@@H](C)C2)C1 ZINC000366107266 535117217 /nfs/dbraw/zinc/11/72/17/535117217.db2.gz GUNKMAGIOHQABZ-FGTMMUONSA-N 2 0 370.538 -0.154 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2C[C@@H](C)[NH+](CCO)[C@@H](C)C2)C1 ZINC000366107267 535110206 /nfs/dbraw/zinc/11/02/06/535110206.db2.gz GUNKMAGIOHQABZ-KSZLIROESA-N 2 0 370.538 -0.154 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2C[C@@H](C)[NH+](CCO)[C@H](C)C2)C1 ZINC000366107268 535119084 /nfs/dbraw/zinc/11/90/84/535119084.db2.gz GUNKMAGIOHQABZ-KZNAEPCWSA-N 2 0 370.538 -0.154 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2C[C@H](C)[NH+](CCO)[C@@H](C)C2)C1 ZINC000366107269 535116778 /nfs/dbraw/zinc/11/67/78/535116778.db2.gz GUNKMAGIOHQABZ-OKZBNKHCSA-N 2 0 370.538 -0.154 20 0 FBADRP C[C@@H]1C[NH+](CCCCC[N@H+]2C[C@@H](C)O[C@@H](C(N)=O)C2)C[C@H](C(N)=O)O1 ZINC000366116581 245264130 /nfs/dbraw/zinc/26/41/30/245264130.db2.gz BDRWSOHZMSLWGR-KBUPBQIOSA-N 2 0 356.467 -0.694 20 0 FBADRP C[C@@H]1C[NH+](CCCCC[N@H+]2C[C@@H](C)O[C@H](C(N)=O)C2)C[C@@H](C(N)=O)O1 ZINC000366116582 245264334 /nfs/dbraw/zinc/26/43/34/245264334.db2.gz BDRWSOHZMSLWGR-KBXIAJHMSA-N 2 0 356.467 -0.694 20 0 FBADRP C[C@@H]1C[NH+](CCCCC[N@H+]2C[C@@H](C)O[C@@H](C(N)=O)C2)C[C@@H](C(N)=O)O1 ZINC000366116583 245264809 /nfs/dbraw/zinc/26/48/09/245264809.db2.gz BDRWSOHZMSLWGR-TUVASFSCSA-N 2 0 356.467 -0.694 20 0 FBADRP C[C@@H]1C[NH+](CCCCCC[N@H+]2C[C@@H](C)O[C@@H](C(N)=O)C2)C[C@@H](C(N)=O)O1 ZINC000366119850 245263073 /nfs/dbraw/zinc/26/30/73/245263073.db2.gz PUZQYXGDYOBXJP-FPCVCCKLSA-N 2 0 370.494 -0.304 20 0 FBADRP C[C@@H]1C[NH+](CCCCCC[N@H+]2C[C@@H](C)O[C@@H](C(N)=O)C2)C[C@H](C(N)=O)O1 ZINC000366119851 245262799 /nfs/dbraw/zinc/26/27/99/245262799.db2.gz PUZQYXGDYOBXJP-KLHDSHLOSA-N 2 0 370.494 -0.304 20 0 FBADRP C[C@@H]1C[NH+](CCCCCC[N@H+]2C[C@@H](C)O[C@H](C(N)=O)C2)C[C@@H](C(N)=O)O1 ZINC000366119852 245263479 /nfs/dbraw/zinc/26/34/79/245263479.db2.gz PUZQYXGDYOBXJP-WCVJEAGWSA-N 2 0 370.494 -0.304 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@H]3C(=O)NC(=O)[C@H]3C2)C1 ZINC000366415548 535117051 /nfs/dbraw/zinc/11/70/51/535117051.db2.gz KCSVRKJGVGKFAT-ILXRZTDVSA-N 2 0 366.462 -0.946 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H]3C(=O)NC(=O)[C@H]3C2)C1 ZINC000366415549 535117616 /nfs/dbraw/zinc/11/76/16/535117616.db2.gz KCSVRKJGVGKFAT-KFWWJZLASA-N 2 0 366.462 -0.946 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@H]3C(=O)NC(=O)[C@@H]3C2)C1 ZINC000366415550 535118822 /nfs/dbraw/zinc/11/88/22/535118822.db2.gz KCSVRKJGVGKFAT-QLFBSQMISA-N 2 0 366.462 -0.946 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H]3C(=O)NC(=O)[C@@H]3C2)C1 ZINC000366415551 535118037 /nfs/dbraw/zinc/11/80/37/535118037.db2.gz KCSVRKJGVGKFAT-RBSFLKMASA-N 2 0 366.462 -0.946 20 0 FBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)n1 ZINC000366472858 484097799 /nfs/dbraw/zinc/09/77/99/484097799.db2.gz XRBQMMBICQLJRZ-HNNXBMFYSA-N 2 0 362.478 0.470 20 0 FBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)n1 ZINC000366472861 484097569 /nfs/dbraw/zinc/09/75/69/484097569.db2.gz XRBQMMBICQLJRZ-OAHLLOKOSA-N 2 0 362.478 0.470 20 0 FBADRP CN1CCN(C2CCN(S(=O)(=O)CC[NH+]3CCCC3)CC2)C(=O)C1 ZINC000366503676 245287879 /nfs/dbraw/zinc/28/78/79/245287879.db2.gz FVCBCJZYRZZWFF-UHFFFAOYSA-N 2 0 358.508 -0.350 20 0 FBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)n1 ZINC000366582132 484099663 /nfs/dbraw/zinc/09/96/63/484099663.db2.gz IGOJUFQUIUKJTB-ARFHVFGLSA-N 2 0 374.489 0.326 20 0 FBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)n1 ZINC000366582134 484099023 /nfs/dbraw/zinc/09/90/23/484099023.db2.gz IGOJUFQUIUKJTB-JYJNAYRXSA-N 2 0 374.489 0.326 20 0 FBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)n1 ZINC000366582135 484099701 /nfs/dbraw/zinc/09/97/01/484099701.db2.gz IGOJUFQUIUKJTB-XHSDSOJGSA-N 2 0 374.489 0.326 20 0 FBADRP C[NH+](CCNC(=O)[C@]1(CC(=O)NCC[N@@H+](C)C2CC2)CC[NH2+]C1)C1CC1 ZINC000366624775 536376576 /nfs/dbraw/zinc/37/65/76/536376576.db2.gz GSPKAZGOTKAMLZ-IBGZPJMESA-N 3 0 365.522 -0.223 20 0 FBADRP C[NH+](CCNC(=O)[C@@]1(CC(=O)NCC[N@@H+](C)C2CC2)CC[NH2+]C1)C1CC1 ZINC000366624781 536376521 /nfs/dbraw/zinc/37/65/21/536376521.db2.gz GSPKAZGOTKAMLZ-LJQANCHMSA-N 3 0 365.522 -0.223 20 0 FBADRP [NH3+]C[C@H]1CCC[C@H]1NC(=O)[C@@]1(CC(=O)N[C@H]2CCC[C@H]2C[NH3+])CC[NH2+]C1 ZINC000366710981 245299159 /nfs/dbraw/zinc/29/91/59/245299159.db2.gz PNTRYFCZOLPUDC-POORBHPNSA-N 3 0 365.522 -0.157 20 0 FBADRP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)C[C@]1(C(=O)N[C@H]2CCC[C@H]2C[NH3+])CC[NH2+]C1 ZINC000366710982 245300145 /nfs/dbraw/zinc/30/01/45/245300145.db2.gz PNTRYFCZOLPUDC-SIBFUHKCSA-N 3 0 365.522 -0.157 20 0 FBADRP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)[C@@]1(CC(=O)N[C@H]2CCC[C@H]2C[NH3+])CC[NH2+]C1 ZINC000366710984 245299548 /nfs/dbraw/zinc/29/95/48/245299548.db2.gz PNTRYFCZOLPUDC-XHWCBRGXSA-N 3 0 365.522 -0.157 20 0 FBADRP [NH3+]C[C@H]1CCC[C@@H]1NC(=O)[C@@]1(CC(=O)N[C@H]2CCC[C@H]2C[NH3+])CC[NH2+]C1 ZINC000366710988 245299133 /nfs/dbraw/zinc/29/91/33/245299133.db2.gz PNTRYFCZOLPUDC-ZHEXZJMTSA-N 3 0 365.522 -0.157 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCO[C@H]3C[NH2+]C[C@H]32)CC1=O ZINC000366997544 535552806 /nfs/dbraw/zinc/55/28/06/535552806.db2.gz RYRMAWBQMOEELF-FPCVCCKLSA-N 2 0 350.463 -0.482 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCO[C@H]3C[NH2+]C[C@H]32)CC1=O ZINC000366997545 245310219 /nfs/dbraw/zinc/31/02/19/245310219.db2.gz RYRMAWBQMOEELF-JJXSEGSLSA-N 2 0 350.463 -0.482 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCO[C@H]3C[NH2+]C[C@H]32)CC1=O ZINC000366997546 245311251 /nfs/dbraw/zinc/31/12/51/245311251.db2.gz RYRMAWBQMOEELF-JONQDZQNSA-N 2 0 350.463 -0.482 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCO[C@H]3C[NH2+]C[C@H]32)CC1=O ZINC000366997547 245311380 /nfs/dbraw/zinc/31/13/80/245311380.db2.gz RYRMAWBQMOEELF-QXSJWSMHSA-N 2 0 350.463 -0.482 20 0 FBADRP COC(=O)C1CC[NH+](CCCNC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000367019978 245310260 /nfs/dbraw/zinc/31/02/60/245310260.db2.gz KHTCDSDROAPXQE-INIZCTEOSA-N 2 0 352.479 -0.232 20 0 FBADRP COC(=O)C1CC[NH+](CCCNC(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000367019979 245311485 /nfs/dbraw/zinc/31/14/85/245311485.db2.gz KHTCDSDROAPXQE-MRXNPFEDSA-N 2 0 352.479 -0.232 20 0 FBADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)[C@H]2C[N@@H+]3CCN2CCC3)c1 ZINC000367201920 535892156 /nfs/dbraw/zinc/89/21/56/535892156.db2.gz SGCWPXMSWPVBJG-GOSISDBHSA-N 2 0 373.501 -0.016 20 0 FBADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)c1 ZINC000367201921 535890843 /nfs/dbraw/zinc/89/08/43/535890843.db2.gz SGCWPXMSWPVBJG-SFHVURJKSA-N 2 0 373.501 -0.016 20 0 FBADRP COCC[N@H+](C)CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC(=O)N(C)C ZINC000367813110 245350651 /nfs/dbraw/zinc/35/06/51/245350651.db2.gz LTSYVPVFYUOPJQ-MQVJKMGUSA-N 2 0 369.510 -0.053 20 0 FBADRP CNC(=O)CN1CCC(NC(=O)NC[C@H]2CN(C3CC3)CCO2)CC1 ZINC000368144647 245364535 /nfs/dbraw/zinc/36/45/35/245364535.db2.gz WEOBNVVOTWTTTQ-HNNXBMFYSA-N 2 0 353.467 -0.641 20 0 FBADRP CNC(=O)CN1CCC(NC(=O)NC[C@@H]2CN(C3CC3)CCO2)CC1 ZINC000368144648 245365798 /nfs/dbraw/zinc/36/57/98/245365798.db2.gz WEOBNVVOTWTTTQ-OAHLLOKOSA-N 2 0 353.467 -0.641 20 0 FBADRP CC[N@H+](CCO)CCNC(=O)NC1CCN(CC(=O)N2CCCC2)CC1 ZINC000368502317 245383677 /nfs/dbraw/zinc/38/36/77/245383677.db2.gz MAMFQNBEBIBIDL-UHFFFAOYSA-N 2 0 369.510 -0.313 20 0 FBADRP C[NH+](C)CC(=O)N1CCN(N2CCC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000368547355 245384044 /nfs/dbraw/zinc/38/40/44/245384044.db2.gz CAURTSAYBCTLTP-QGZVFWFLSA-N 2 0 353.511 -0.349 20 0 FBADRP CCN1CCO[C@H](C(=O)N2CCN([C@H](C)C(=O)N3CCCC3)CC2)C1 ZINC000368549982 245385194 /nfs/dbraw/zinc/38/51/94/245385194.db2.gz VKUATOUVDFHCTO-CVEARBPZSA-N 2 0 352.479 -0.138 20 0 FBADRP CCN1CCO[C@@H](C(=O)N2CCN([C@H](C)C(=O)N3CCCC3)CC2)C1 ZINC000368549983 245384814 /nfs/dbraw/zinc/38/48/14/245384814.db2.gz VKUATOUVDFHCTO-HZPDHXFCSA-N 2 0 352.479 -0.138 20 0 FBADRP CC[N@H+](CCO)CCNC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000368632313 245387247 /nfs/dbraw/zinc/38/72/47/245387247.db2.gz ISMOCIDWGLUDPR-INIZCTEOSA-N 2 0 357.499 -0.994 20 0 FBADRP CC[N@H+](CCO)CCNC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000368632317 245388179 /nfs/dbraw/zinc/38/81/79/245388179.db2.gz ISMOCIDWGLUDPR-MRXNPFEDSA-N 2 0 357.499 -0.994 20 0 FBADRP O=C(CC[N@@H+]1CC[C@H]2C(=O)NC(=O)[C@H]2C1)N1CCN(c2ccccn2)CC1 ZINC000368639269 245388427 /nfs/dbraw/zinc/38/84/27/245388427.db2.gz TVUQYAAJPXHUQT-CABCVRRESA-N 2 0 371.441 -0.285 20 0 FBADRP O=C(CC[N@@H+]1CC[C@@H]2C(=O)NC(=O)[C@H]2C1)N1CCN(c2ccccn2)CC1 ZINC000368639270 245387191 /nfs/dbraw/zinc/38/71/91/245387191.db2.gz TVUQYAAJPXHUQT-GJZGRUSLSA-N 2 0 371.441 -0.285 20 0 FBADRP O=C(CC[N@@H+]1CC[C@H]2C(=O)NC(=O)[C@@H]2C1)N1CCN(c2ccccn2)CC1 ZINC000368639271 245386187 /nfs/dbraw/zinc/38/61/87/245386187.db2.gz TVUQYAAJPXHUQT-HUUCEWRRSA-N 2 0 371.441 -0.285 20 0 FBADRP O=C(CC[N@@H+]1CC[C@@H]2C(=O)NC(=O)[C@@H]2C1)N1CCN(c2ccccn2)CC1 ZINC000368639272 245386476 /nfs/dbraw/zinc/38/64/76/245386476.db2.gz TVUQYAAJPXHUQT-LSDHHAIUSA-N 2 0 371.441 -0.285 20 0 FBADRP Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@@H+]2C[C@H](O)C3(CC3)C2)CC1 ZINC000368787135 245396123 /nfs/dbraw/zinc/39/61/23/245396123.db2.gz UCRGZIPXUJXMHN-AWEZNQCLSA-N 2 0 371.445 -0.531 20 0 FBADRP Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@@H+]2C[C@@H](O)C3(CC3)C2)CC1 ZINC000368787140 245393962 /nfs/dbraw/zinc/39/39/62/245393962.db2.gz UCRGZIPXUJXMHN-CQSZACIVSA-N 2 0 371.445 -0.531 20 0 FBADRP CN1CC[NH+](CC2(C)CC[NH+](Cc3cc(=O)n(C)c(=O)n3C)CC2)CC1 ZINC000368820030 483918446 /nfs/dbraw/zinc/91/84/46/483918446.db2.gz ADMAWEBTKADPLG-UHFFFAOYSA-N 2 0 363.506 -0.067 20 0 FBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCC[C@H]([NH+](C)C)CC2)n1 ZINC000369367345 484097314 /nfs/dbraw/zinc/09/73/14/484097314.db2.gz YOXOJSVZXAESQL-AWEZNQCLSA-N 2 0 350.467 0.326 20 0 FBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)CC2)n1 ZINC000369367346 484097580 /nfs/dbraw/zinc/09/75/80/484097580.db2.gz YOXOJSVZXAESQL-CQSZACIVSA-N 2 0 350.467 0.326 20 0 FBADRP COCC[N@H+](C)CCNC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000369393143 483954721 /nfs/dbraw/zinc/95/47/21/483954721.db2.gz CHXZPTCWZFCWRK-INIZCTEOSA-N 2 0 357.499 -0.730 20 0 FBADRP COCC[N@H+](C)CCNC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000369393146 483955792 /nfs/dbraw/zinc/95/57/92/483955792.db2.gz CHXZPTCWZFCWRK-MRXNPFEDSA-N 2 0 357.499 -0.730 20 0 FBADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC1=O ZINC000369679046 483977343 /nfs/dbraw/zinc/97/73/43/483977343.db2.gz CJQSSQRVDRBLCA-DLBZAZTESA-N 2 0 366.506 -0.033 20 0 FBADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CC1=O ZINC000369679047 483976676 /nfs/dbraw/zinc/97/66/76/483976676.db2.gz CJQSSQRVDRBLCA-IAGOWNOFSA-N 2 0 366.506 -0.033 20 0 FBADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC1=O ZINC000369679048 483976704 /nfs/dbraw/zinc/97/67/04/483976704.db2.gz CJQSSQRVDRBLCA-IRXDYDNUSA-N 2 0 366.506 -0.033 20 0 FBADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CC1=O ZINC000369679049 483977053 /nfs/dbraw/zinc/97/70/53/483977053.db2.gz CJQSSQRVDRBLCA-SJORKVTESA-N 2 0 366.506 -0.033 20 0 FBADRP C[NH+](C)CCn1ccc(NC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)n1 ZINC000369779887 484105514 /nfs/dbraw/zinc/10/55/14/484105514.db2.gz MQUWKXHGASYFCW-CABCVRRESA-N 2 0 350.467 0.508 20 0 FBADRP C[NH+](C)CCn1ccc(NC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)n1 ZINC000369779888 484105256 /nfs/dbraw/zinc/10/52/56/484105256.db2.gz MQUWKXHGASYFCW-GJZGRUSLSA-N 2 0 350.467 0.508 20 0 FBADRP C[NH+](C)CCn1ccc(NC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)n1 ZINC000369779889 484104896 /nfs/dbraw/zinc/10/48/96/484104896.db2.gz MQUWKXHGASYFCW-HUUCEWRRSA-N 2 0 350.467 0.508 20 0 FBADRP C[NH+](C)CCn1ccc(NC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)n1 ZINC000369779890 484105684 /nfs/dbraw/zinc/10/56/84/484105684.db2.gz MQUWKXHGASYFCW-LSDHHAIUSA-N 2 0 350.467 0.508 20 0 FBADRP O=C(C[C@]1(C(=O)NCC[C@H]2CCC[NH2+]2)CC[NH2+]C1)NCC[C@H]1CCC[NH2+]1 ZINC000369815355 483983542 /nfs/dbraw/zinc/98/35/42/483983542.db2.gz YTIRUVMSGLZSAN-GPMSIDNRSA-N 3 0 365.522 -0.127 20 0 FBADRP O=C(C[C@@]1(C(=O)NCC[C@H]2CCC[NH2+]2)CC[NH2+]C1)NCC[C@H]1CCC[NH2+]1 ZINC000369815356 245459577 /nfs/dbraw/zinc/45/95/77/245459577.db2.gz YTIRUVMSGLZSAN-MDZRGWNJSA-N 3 0 365.522 -0.127 20 0 FBADRP C[C@](O)(CNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)CN1CCOCC1 ZINC000369860600 483985222 /nfs/dbraw/zinc/98/52/22/483985222.db2.gz QRGJOFXLRXIDSQ-INMHGKMJSA-N 2 0 356.467 -0.768 20 0 FBADRP C[C@](O)(CNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)CN1CCOCC1 ZINC000369860602 483985929 /nfs/dbraw/zinc/98/59/29/483985929.db2.gz QRGJOFXLRXIDSQ-UXLLHSPISA-N 2 0 356.467 -0.768 20 0 FBADRP C[C@](O)(CNC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)CN1CCOCC1 ZINC000369860603 483985884 /nfs/dbraw/zinc/98/58/84/483985884.db2.gz QRGJOFXLRXIDSQ-VYDXJSESSA-N 2 0 356.467 -0.768 20 0 FBADRP C[C@](O)(CNC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)CN1CCOCC1 ZINC000369860604 483985598 /nfs/dbraw/zinc/98/55/98/483985598.db2.gz QRGJOFXLRXIDSQ-ZOBUZTSGSA-N 2 0 356.467 -0.768 20 0 FBADRP CCN1CCO[C@H](CN2CCN(C(=O)NCc3nccn3C)CC2)C1 ZINC000369861913 483984175 /nfs/dbraw/zinc/98/41/75/483984175.db2.gz MHYFKCPUBHOYLJ-HNNXBMFYSA-N 2 0 350.467 -0.032 20 0 FBADRP CCN1CCO[C@@H](CN2CCN(C(=O)NCc3nccn3C)CC2)C1 ZINC000369861914 483985954 /nfs/dbraw/zinc/98/59/54/483985954.db2.gz MHYFKCPUBHOYLJ-OAHLLOKOSA-N 2 0 350.467 -0.032 20 0 FBADRP COCCC[N@H+](C)CCNC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000369864550 483985652 /nfs/dbraw/zinc/98/56/52/483985652.db2.gz VRKLEQRUKQJNQH-KRWDZBQOSA-N 2 0 371.526 -0.340 20 0 FBADRP COCCC[N@H+](C)CCNC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000369864551 483985052 /nfs/dbraw/zinc/98/50/52/483985052.db2.gz VRKLEQRUKQJNQH-QGZVFWFLSA-N 2 0 371.526 -0.340 20 0 FBADRP CC[N@H+](CCO)CCNC(=O)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000369972959 483992202 /nfs/dbraw/zinc/99/22/02/483992202.db2.gz JHZKKGGWVGSVJL-INIZCTEOSA-N 2 0 360.524 -0.192 20 0 FBADRP CC[N@H+](CCO)CCNC(=O)NC[C@]1(N2CCOCC2)CCSC1 ZINC000369972960 483993177 /nfs/dbraw/zinc/99/31/77/483993177.db2.gz JHZKKGGWVGSVJL-MRXNPFEDSA-N 2 0 360.524 -0.192 20 0 FBADRP COCC[N@H+](C)CCNC(=O)N1CCC(N2CCN(C)CC2=O)CC1 ZINC000369986533 483992783 /nfs/dbraw/zinc/99/27/83/483992783.db2.gz PSMSVDNJYYBIJT-UHFFFAOYSA-N 2 0 355.483 -0.487 20 0 FBADRP COCCCS(=O)(=O)NCC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000370057568 483999978 /nfs/dbraw/zinc/99/99/78/483999978.db2.gz YABHXNSNVGVURU-UHFFFAOYSA-N 2 0 363.524 -0.014 20 0 FBADRP COCC[N@H+](C)CCNC(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000370729616 484045107 /nfs/dbraw/zinc/04/51/07/484045107.db2.gz UGDCOCRYXGLDQA-HNNXBMFYSA-N 2 0 355.483 -0.487 20 0 FBADRP COCC[N@H+](C)CCNC(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000370729622 484044359 /nfs/dbraw/zinc/04/43/59/484044359.db2.gz UGDCOCRYXGLDQA-OAHLLOKOSA-N 2 0 355.483 -0.487 20 0 FBADRP C[NH2+][C@@H]1CCCN(C(=O)C[C@]2(C(=O)N3CCC[C@@H]([NH2+]C)C3)CC[NH2+]C2)C1 ZINC000370924851 483862614 /nfs/dbraw/zinc/86/26/14/483862614.db2.gz QGSVKVDBYGFIGF-GPMSIDNRSA-N 3 0 365.522 -0.223 20 0 FBADRP C[NH2+][C@@H]1CCCN(C(=O)C[C@@]2(C(=O)N3CCC[C@@H]([NH2+]C)C3)CC[NH2+]C2)C1 ZINC000370924860 483862417 /nfs/dbraw/zinc/86/24/17/483862417.db2.gz QGSVKVDBYGFIGF-MDZRGWNJSA-N 3 0 365.522 -0.223 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CCCN(CC(=O)N(C)C)CC2)C1 ZINC000371018384 484197552 /nfs/dbraw/zinc/19/75/52/484197552.db2.gz LUGIUPGCKQFENI-HNNXBMFYSA-N 2 0 355.483 -0.487 20 0 FBADRP COCC[N@@H+]1CC[C@@H](NC(=O)N2CCCN(CC(=O)N(C)C)CC2)C1 ZINC000371018385 484198377 /nfs/dbraw/zinc/19/83/77/484198377.db2.gz LUGIUPGCKQFENI-OAHLLOKOSA-N 2 0 355.483 -0.487 20 0 FBADRP C[NH+]1CCN(c2cc(CNC(=O)[C@@H]3C[N@@H+]4CCN3CCC4)ccn2)CC1 ZINC000371241981 484063960 /nfs/dbraw/zinc/06/39/60/484063960.db2.gz LNDCGJRCFCDXQQ-KRWDZBQOSA-N 2 0 358.490 -0.161 20 0 FBADRP C[NH+]1CCN(c2cc(CNC(=O)[C@H]3C[N@@H+]4CCN3CCC4)ccn2)CC1 ZINC000371241982 484063803 /nfs/dbraw/zinc/06/38/03/484063803.db2.gz LNDCGJRCFCDXQQ-QGZVFWFLSA-N 2 0 358.490 -0.161 20 0 FBADRP CCN1CCO[C@H](C(=O)N(C)CCN(C)C(=O)[C@@H]2CN(CC)CCO2)C1 ZINC000371359164 484071742 /nfs/dbraw/zinc/07/17/42/484071742.db2.gz HJNYESMHDUDMKG-HOTGVXAUSA-N 2 0 370.494 -0.655 20 0 FBADRP CCN1CCO[C@@H](C(=O)N(C)CCN(C)C(=O)[C@H]2CN(CC)CCO2)C1 ZINC000371359165 484071438 /nfs/dbraw/zinc/07/14/38/484071438.db2.gz HJNYESMHDUDMKG-HZPDHXFCSA-N 2 0 370.494 -0.655 20 0 FBADRP CCN1CCO[C@@H](C(=O)N(C)CCN(C)C(=O)[C@@H]2CN(CC)CCO2)C1 ZINC000371359166 484070977 /nfs/dbraw/zinc/07/09/77/484070977.db2.gz HJNYESMHDUDMKG-IYBDPMFKSA-N 2 0 370.494 -0.655 20 0 FBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C1=NN(CCO)C(=O)CC1 ZINC000371376607 484073117 /nfs/dbraw/zinc/07/31/17/484073117.db2.gz XLIKOGSJEDLOMN-UHFFFAOYSA-N 2 0 355.483 -0.311 20 0 FBADRP CNC(=O)[C@@H]1C[NH+](CCCCCC[N@@H+]2CCO[C@H](C(=O)NC)C2)CCO1 ZINC000371628298 484094296 /nfs/dbraw/zinc/09/42/96/484094296.db2.gz MFKIKIRDSLPWMY-HOTGVXAUSA-N 2 0 370.494 -0.560 20 0 FBADRP CNC(=O)[C@H]1C[NH+](CCCCCC[N@@H+]2CCO[C@@H](C(=O)NC)C2)CCO1 ZINC000371628299 484093843 /nfs/dbraw/zinc/09/38/43/484093843.db2.gz MFKIKIRDSLPWMY-HZPDHXFCSA-N 2 0 370.494 -0.560 20 0 FBADRP CNC(=O)[C@H]1C[N@H+](CCCCCC[NH+]2CCO[C@H](C(=O)NC)C2)CCO1 ZINC000371628300 484094101 /nfs/dbraw/zinc/09/41/01/484094101.db2.gz MFKIKIRDSLPWMY-IYBDPMFKSA-N 2 0 370.494 -0.560 20 0 FBADRP COCCN(CC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000371654202 484096653 /nfs/dbraw/zinc/09/66/53/484096653.db2.gz PRFLQAOZXCUTAA-KRWDZBQOSA-N 2 0 371.526 -0.388 20 0 FBADRP COCCN(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000371654203 484097184 /nfs/dbraw/zinc/09/71/84/484097184.db2.gz PRFLQAOZXCUTAA-QGZVFWFLSA-N 2 0 371.526 -0.388 20 0 FBADRP O=C1OC[C@@H]2CN(CCOCCN3CCN4C(=O)OC[C@@H]4C3)CCN12 ZINC000371987082 484114918 /nfs/dbraw/zinc/11/49/18/484114918.db2.gz LXWCXRKGOSSIEN-KBPBESRZSA-N 2 0 354.407 -0.724 20 0 FBADRP O=C1OC[C@H]2CN(CCOCCN3CCN4C(=O)OC[C@@H]4C3)CCN12 ZINC000371987083 484114988 /nfs/dbraw/zinc/11/49/88/484114988.db2.gz LXWCXRKGOSSIEN-OKILXGFUSA-N 2 0 354.407 -0.724 20 0 FBADRP O=C1OC[C@H]2CN(CCOCCN3CCN4C(=O)OC[C@H]4C3)CCN12 ZINC000371987178 484115398 /nfs/dbraw/zinc/11/53/98/484115398.db2.gz LXWCXRKGOSSIEN-ZIAGYGMSSA-N 2 0 354.407 -0.724 20 0 FBADRP COCC[N@H+](C)CCCNC(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000372021345 484119350 /nfs/dbraw/zinc/11/93/50/484119350.db2.gz IRLZGIRGKAWGKR-INIZCTEOSA-N 2 0 369.510 -0.097 20 0 FBADRP COCC[N@H+](C)CCCNC(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000372021347 484119295 /nfs/dbraw/zinc/11/92/95/484119295.db2.gz IRLZGIRGKAWGKR-MRXNPFEDSA-N 2 0 369.510 -0.097 20 0 FBADRP COCC[N@@H+]1CC[C@@H](NC(=O)N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000372021351 484119066 /nfs/dbraw/zinc/11/90/66/484119066.db2.gz ISEOKFUIDILFFL-CVEARBPZSA-N 2 0 367.494 -0.345 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000372021353 484118562 /nfs/dbraw/zinc/11/85/62/484118562.db2.gz ISEOKFUIDILFFL-HOTGVXAUSA-N 2 0 367.494 -0.345 20 0 FBADRP COCC[N@@H+]1CC[C@@H](NC(=O)N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000372021354 484118366 /nfs/dbraw/zinc/11/83/66/484118366.db2.gz ISEOKFUIDILFFL-HZPDHXFCSA-N 2 0 367.494 -0.345 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000372021357 484118591 /nfs/dbraw/zinc/11/85/91/484118591.db2.gz ISEOKFUIDILFFL-JKSUJKDBSA-N 2 0 367.494 -0.345 20 0 FBADRP CC[NH+]1CCN(CCC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000372059305 484122688 /nfs/dbraw/zinc/12/26/88/484122688.db2.gz BCXAMKLXCSUFPT-KRWDZBQOSA-N 2 0 365.522 -0.221 20 0 FBADRP CC[NH+]1CCN(CCC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000372059306 484121555 /nfs/dbraw/zinc/12/15/55/484121555.db2.gz BCXAMKLXCSUFPT-QGZVFWFLSA-N 2 0 365.522 -0.221 20 0 FBADRP C[NH+](C)CCN1C[C@H](C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1=O ZINC000372110292 484124908 /nfs/dbraw/zinc/12/49/08/484124908.db2.gz BKGLUAYTAHBUEC-GDBMZVCRSA-N 2 0 352.479 -0.234 20 0 FBADRP C[NH+](C)CCN1C[C@@H](C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1=O ZINC000372110293 484126319 /nfs/dbraw/zinc/12/63/19/484126319.db2.gz BKGLUAYTAHBUEC-GOEBONIOSA-N 2 0 352.479 -0.234 20 0 FBADRP C[NH+](C)CCN1C[C@@H](C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1=O ZINC000372110294 484125716 /nfs/dbraw/zinc/12/57/16/484125716.db2.gz BKGLUAYTAHBUEC-HOCLYGCPSA-N 2 0 352.479 -0.234 20 0 FBADRP C[NH+](C)CCN1C[C@H](C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1=O ZINC000372110295 484126215 /nfs/dbraw/zinc/12/62/15/484126215.db2.gz BKGLUAYTAHBUEC-ZBFHGGJFSA-N 2 0 352.479 -0.234 20 0 FBADRP C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3C[N@@H+]4CCN3CCC4)cn2)CC1 ZINC000372311231 484137585 /nfs/dbraw/zinc/13/75/85/484137585.db2.gz IQVHCFKSXXRHOF-KRWDZBQOSA-N 2 0 358.490 -0.161 20 0 FBADRP C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3C[N@@H+]4CCN3CCC4)cn2)CC1 ZINC000372311233 484137963 /nfs/dbraw/zinc/13/79/63/484137963.db2.gz IQVHCFKSXXRHOF-QGZVFWFLSA-N 2 0 358.490 -0.161 20 0 FBADRP CN1CCN(C(=O)CC[N@@H+]2CCCC[C@H]2C(=O)N2CCOCC2)CC1 ZINC000372456835 484144706 /nfs/dbraw/zinc/14/47/06/484144706.db2.gz UBKVWCJRDVEZKR-INIZCTEOSA-N 2 0 352.479 -0.136 20 0 FBADRP CN1CCN(C(=O)CC[N@@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)CC1 ZINC000372456836 484144086 /nfs/dbraw/zinc/14/40/86/484144086.db2.gz UBKVWCJRDVEZKR-MRXNPFEDSA-N 2 0 352.479 -0.136 20 0 FBADRP C[C@H]1CN(C[C@@H]2CN(C)CCO2)CCN1C(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000372460880 484145144 /nfs/dbraw/zinc/14/51/44/484145144.db2.gz VYLZXJLTODGUQT-KBPBESRZSA-N 2 0 362.478 -0.468 20 0 FBADRP C[C@@H]1CN(C[C@@H]2CN(C)CCO2)CCN1C(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000372460881 484144888 /nfs/dbraw/zinc/14/48/88/484144888.db2.gz VYLZXJLTODGUQT-KGLIPLIRSA-N 2 0 362.478 -0.468 20 0 FBADRP C[C@H]1CN(C[C@H]2CN(C)CCO2)CCN1C(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000372460882 484144766 /nfs/dbraw/zinc/14/47/66/484144766.db2.gz VYLZXJLTODGUQT-UONOGXRCSA-N 2 0 362.478 -0.468 20 0 FBADRP C[C@@H]1CN(C[C@H]2CN(C)CCO2)CCN1C(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000372460883 484144154 /nfs/dbraw/zinc/14/41/54/484144154.db2.gz VYLZXJLTODGUQT-ZIAGYGMSSA-N 2 0 362.478 -0.468 20 0 FBADRP CC(C)C[N@@H+]1CCCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000372641396 484180492 /nfs/dbraw/zinc/18/04/92/484180492.db2.gz RFWYRJPZKSVFLD-UHFFFAOYSA-N 2 0 364.494 0.574 20 0 FBADRP O=C(COCC(=O)N1CC[NH+]2CCC1CC2)N1CC[NH+]2CCC1CC2 ZINC000372726078 484169122 /nfs/dbraw/zinc/16/91/22/484169122.db2.gz GXOPYGFDUPQTQZ-UHFFFAOYSA-N 2 0 350.463 -0.384 20 0 FBADRP Cc1nccn1CCCCN1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000372794781 484173517 /nfs/dbraw/zinc/17/35/17/484173517.db2.gz WOBSXJMENIWRNV-UHFFFAOYSA-N 2 0 361.450 -0.066 20 0 FBADRP CNC(=O)CN1CCCN(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000373034187 484186458 /nfs/dbraw/zinc/18/64/58/484186458.db2.gz FHFVFGXZEIMCBB-INIZCTEOSA-N 2 0 369.510 -0.049 20 0 FBADRP CNC(=O)CN1CCCN(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000373034188 484185988 /nfs/dbraw/zinc/18/59/88/484185988.db2.gz FHFVFGXZEIMCBB-MRXNPFEDSA-N 2 0 369.510 -0.049 20 0 FBADRP CCOC(=O)CNC[C@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1 ZINC000373234923 484196789 /nfs/dbraw/zinc/19/67/89/484196789.db2.gz ZYNXHOQTCSDLKL-AWEZNQCLSA-N 2 0 363.462 -0.014 20 0 FBADRP CCOC(=O)CNC[C@@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1 ZINC000373234929 484197193 /nfs/dbraw/zinc/19/71/93/484197193.db2.gz ZYNXHOQTCSDLKL-CQSZACIVSA-N 2 0 363.462 -0.014 20 0 FBADRP CN1C[C@H]2C[NH+](CCCC[N@@H+]3CCN4C(=O)N(C)C[C@H]4C3)CCN2C1=O ZINC000373247668 484198450 /nfs/dbraw/zinc/19/84/50/484198450.db2.gz RYNIALHACZCVBJ-HOTGVXAUSA-N 2 0 364.494 -0.130 20 0 FBADRP CN1C[C@@H]2C[NH+](CCCC[N@@H+]3CCN4C(=O)N(C)C[C@@H]4C3)CCN2C1=O ZINC000373247669 484198571 /nfs/dbraw/zinc/19/85/71/484198571.db2.gz RYNIALHACZCVBJ-HZPDHXFCSA-N 2 0 364.494 -0.130 20 0 FBADRP CN1C[C@@H]2C[NH+](CCCC[N@@H+]3CCN4C(=O)N(C)C[C@H]4C3)CCN2C1=O ZINC000373247670 484198138 /nfs/dbraw/zinc/19/81/38/484198138.db2.gz RYNIALHACZCVBJ-IYBDPMFKSA-N 2 0 364.494 -0.130 20 0 FBADRP CC[NH+](CC)CCNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000373265171 484333590 /nfs/dbraw/zinc/33/35/90/484333590.db2.gz UALRCHWKBZHCDM-UHFFFAOYSA-N 2 0 350.467 0.546 20 0 FBADRP C[NH+]1C[C@H]2CN(C(=O)CSCC(=O)N3C[C@@H]4C[N@H+](C)C[C@@H]4C3)C[C@H]2C1 ZINC000373337548 484201613 /nfs/dbraw/zinc/20/16/13/484201613.db2.gz OAVWXGKIPVOBEM-GEEKYZPCSA-N 2 0 366.531 -0.240 20 0 FBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C[C@]1(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)CC[NH2+]C1 ZINC000373512960 484209334 /nfs/dbraw/zinc/20/93/34/484209334.db2.gz NNRGOUNCHIFAEY-LAIHZFQQSA-N 3 0 365.522 -0.415 20 0 FBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C[C@]1(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC[NH2+]C1 ZINC000373512961 484208736 /nfs/dbraw/zinc/20/87/36/484208736.db2.gz NNRGOUNCHIFAEY-MZZPOWALSA-N 3 0 365.522 -0.415 20 0 FBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C[C@]1(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)CC[NH2+]C1 ZINC000373512964 484208689 /nfs/dbraw/zinc/20/86/89/484208689.db2.gz NNRGOUNCHIFAEY-RUEZSYAVSA-N 3 0 365.522 -0.415 20 0 FBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C[C@]1(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)CC[NH2+]C1 ZINC000373512968 484209088 /nfs/dbraw/zinc/20/90/88/484209088.db2.gz NNRGOUNCHIFAEY-XZLOLGPPSA-N 3 0 365.522 -0.415 20 0 FBADRP COCC(C)(C(=O)N1CCC[NH+](C)CC1)C(=O)N1CCC[N@H+](C)CC1 ZINC000373584251 484212868 /nfs/dbraw/zinc/21/28/68/484212868.db2.gz SJHHWMYYTGLKCT-UHFFFAOYSA-N 2 0 354.495 -0.033 20 0 FBADRP O=C(NCCN1CCCOCC1)c1cnn(CCN2CCOCC2)c1 ZINC000373696695 484218768 /nfs/dbraw/zinc/21/87/68/484218768.db2.gz WHCHVMBXLZWTHL-UHFFFAOYSA-N 2 0 351.451 -0.333 20 0 FBADRP O=C(NCC[N@H+]1CC=CCC1)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000373841317 484228167 /nfs/dbraw/zinc/22/81/67/484228167.db2.gz KWRRXYASXHMTFC-KRWDZBQOSA-N 2 0 351.495 -0.046 20 0 FBADRP O=C(NCC[N@H+]1CC=CCC1)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 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COCC1(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC[NH2+]CC1 ZINC000374519683 484264319 /nfs/dbraw/zinc/26/43/19/484264319.db2.gz JCPDSYIUNUPNBO-GFCCVEGCSA-N 2 0 352.401 -0.045 20 0 FBADRP COCC1(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC[NH2+]CC1 ZINC000374519684 484264457 /nfs/dbraw/zinc/26/44/57/484264457.db2.gz JCPDSYIUNUPNBO-LBPRGKRZSA-N 2 0 352.401 -0.045 20 0 FBADRP Cn1cc(N2CC[C@H](N3CCC(N4CCN(C)CC4=O)CC3)C2=O)cn1 ZINC000374766584 484276036 /nfs/dbraw/zinc/27/60/36/484276036.db2.gz NBOLUCYWFHYWTO-INIZCTEOSA-N 2 0 360.462 -0.236 20 0 FBADRP Cn1cc(N2CC[C@@H](N3CCC(N4CCN(C)CC4=O)CC3)C2=O)cn1 ZINC000374766588 484275667 /nfs/dbraw/zinc/27/56/67/484275667.db2.gz NBOLUCYWFHYWTO-MRXNPFEDSA-N 2 0 360.462 -0.236 20 0 FBADRP C[C@@H]1CN(C(=O)CN2CCC(N3CCN(C)CC3=O)CC2)C[C@H](C)O1 ZINC000374769330 484276146 /nfs/dbraw/zinc/27/61/46/484276146.db2.gz BRGSAJGUWJPNJE-GASCZTMLSA-N 2 0 352.479 -0.139 20 0 FBADRP C[C@H]1CN(C(=O)CN2CCC(N3CCN(C)CC3=O)CC2)C[C@H](C)O1 ZINC000374769333 484276293 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CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C)CC2(O)CCOCC2)C1 ZINC000375253990 484297635 /nfs/dbraw/zinc/29/76/35/484297635.db2.gz WREXHUZUOSFHNA-INIZCTEOSA-N 2 0 357.495 -0.067 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)CC2(O)CCOCC2)C1 ZINC000375253991 484296881 /nfs/dbraw/zinc/29/68/81/484296881.db2.gz WREXHUZUOSFHNA-MRXNPFEDSA-N 2 0 357.495 -0.067 20 0 FBADRP Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cn1 ZINC000375412614 484303523 /nfs/dbraw/zinc/30/35/23/484303523.db2.gz UIUNSEGSKYDJJM-HZSPNIEDSA-N 2 0 374.411 -0.325 20 0 FBADRP Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cn1 ZINC000375412621 484302965 /nfs/dbraw/zinc/30/29/65/484302965.db2.gz UIUNSEGSKYDJJM-RDBSUJKOSA-N 2 0 374.411 -0.325 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCC[NH+]([C@H](C)CO)CC2)C1 ZINC000375481578 484307465 /nfs/dbraw/zinc/30/74/65/484307465.db2.gz GVSWFSDNTUKGJY-MSOLQXFVSA-N 2 0 370.538 -0.152 20 0 FBADRP 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/nfs/dbraw/zinc/36/65/18/484366518.db2.gz QPZYTKSBJFFEAF-WBVHZDCISA-N 2 0 372.535 -0.098 20 0 FBADRP COCCC[N@H+](C)CCNC(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000376784836 484374529 /nfs/dbraw/zinc/37/45/29/484374529.db2.gz PXVVTGLLYVKLQT-INIZCTEOSA-N 2 0 369.510 -0.097 20 0 FBADRP COCCC[N@H+](C)CCNC(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000376784837 484374996 /nfs/dbraw/zinc/37/49/96/484374996.db2.gz PXVVTGLLYVKLQT-MRXNPFEDSA-N 2 0 369.510 -0.097 20 0 FBADRP COCC[C@]1(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC[NH2+]C1 ZINC000376792618 484374776 /nfs/dbraw/zinc/37/47/76/484374776.db2.gz XPZJIEHXQAIGRI-GOSISDBHSA-N 2 0 352.479 -0.231 20 0 FBADRP COCC[C@@]1(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC[NH2+]C1 ZINC000376792622 484374927 /nfs/dbraw/zinc/37/49/27/484374927.db2.gz XPZJIEHXQAIGRI-SFHVURJKSA-N 2 0 352.479 -0.231 20 0 FBADRP C[N@H+]1CC=C(CNC(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)CC1 ZINC000376856929 484377741 /nfs/dbraw/zinc/37/77/41/484377741.db2.gz QDECIAPNIJQHAT-KRWDZBQOSA-N 2 0 351.495 -0.046 20 0 FBADRP C[N@H+]1CC=C(CNC(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)CC1 ZINC000376856930 484377241 /nfs/dbraw/zinc/37/72/41/484377241.db2.gz QDECIAPNIJQHAT-QGZVFWFLSA-N 2 0 351.495 -0.046 20 0 FBADRP O=C1NC[C@@H]2[C@H]1CCC[NH+]2CCOCC[N@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000377217504 484395188 /nfs/dbraw/zinc/39/51/88/484395188.db2.gz ZKUJPBAWZRCYRV-KLHDSHLOSA-N 2 0 350.463 -0.576 20 0 FBADRP CC[N@H+](CCO)CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC(=O)N(C)C ZINC000377231173 484397631 /nfs/dbraw/zinc/39/76/31/484397631.db2.gz AQVQFSJGMMVJSO-MQVJKMGUSA-N 2 0 369.510 -0.317 20 0 FBADRP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000377261784 484102962 /nfs/dbraw/zinc/10/29/62/484102962.db2.gz UTQNNTBAUWSJNP-CABCVRRESA-N 2 0 362.478 0.468 20 0 FBADRP C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000377261785 484174941 /nfs/dbraw/zinc/17/49/41/484174941.db2.gz UTQNNTBAUWSJNP-GJZGRUSLSA-N 2 0 362.478 0.468 20 0 FBADRP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000377261786 484102893 /nfs/dbraw/zinc/10/28/93/484102893.db2.gz UTQNNTBAUWSJNP-HUUCEWRRSA-N 2 0 362.478 0.468 20 0 FBADRP C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000377261787 484175232 /nfs/dbraw/zinc/17/52/32/484175232.db2.gz UTQNNTBAUWSJNP-LSDHHAIUSA-N 2 0 362.478 0.468 20 0 FBADRP CN(CCCNC(=O)CN1CCC[C@H](c2nccn2C)C1)S(C)(=O)=O ZINC000377266843 484397449 /nfs/dbraw/zinc/39/74/49/484397449.db2.gz MNWOPPRPXVMQOO-AWEZNQCLSA-N 2 0 371.507 -0.003 20 0 FBADRP CN(CCCNC(=O)CN1CCC[C@@H](c2nccn2C)C1)S(C)(=O)=O ZINC000377266844 484397331 /nfs/dbraw/zinc/39/73/31/484397331.db2.gz MNWOPPRPXVMQOO-CQSZACIVSA-N 2 0 371.507 -0.003 20 0 FBADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000377322840 484090366 /nfs/dbraw/zinc/09/03/66/484090366.db2.gz RDPALHDMZJWHNM-CABCVRRESA-N 2 0 362.478 0.468 20 0 FBADRP C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000377322842 484170940 /nfs/dbraw/zinc/17/09/40/484170940.db2.gz RDPALHDMZJWHNM-GJZGRUSLSA-N 2 0 362.478 0.468 20 0 FBADRP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000377322844 484082253 /nfs/dbraw/zinc/08/22/53/484082253.db2.gz RDPALHDMZJWHNM-HUUCEWRRSA-N 2 0 362.478 0.468 20 0 FBADRP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000377322845 484167819 /nfs/dbraw/zinc/16/78/19/484167819.db2.gz RDPALHDMZJWHNM-LSDHHAIUSA-N 2 0 362.478 0.468 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cn([C@@H]2COC[C@H]2OC)nn1 ZINC000377330434 484399996 /nfs/dbraw/zinc/39/99/96/484399996.db2.gz MNKKAIPEHANONM-RBSFLKMASA-N 2 0 351.455 -0.037 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cn([C@@H]2COC[C@H]2OC)nn1 ZINC000377330435 484399704 /nfs/dbraw/zinc/39/97/04/484399704.db2.gz MNKKAIPEHANONM-RRFJBIMHSA-N 2 0 351.455 -0.037 20 0 FBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000377563605 484411313 /nfs/dbraw/zinc/41/13/13/484411313.db2.gz LOGCSBLJDBTKGH-CVEARBPZSA-N 2 0 370.494 -0.480 20 0 FBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000377563607 484411466 /nfs/dbraw/zinc/41/14/66/484411466.db2.gz LOGCSBLJDBTKGH-HOTGVXAUSA-N 2 0 370.494 -0.480 20 0 FBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000377563609 484411489 /nfs/dbraw/zinc/41/14/89/484411489.db2.gz LOGCSBLJDBTKGH-HZPDHXFCSA-N 2 0 370.494 -0.480 20 0 FBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000377563610 484411344 /nfs/dbraw/zinc/41/13/44/484411344.db2.gz LOGCSBLJDBTKGH-JKSUJKDBSA-N 2 0 370.494 -0.480 20 0 FBADRP C[NH+]1CCN(c2cc(C(=O)N3CCN([C@H]4CC[NH2+]C4)CC3)ccn2)CC1 ZINC000377589570 484412589 /nfs/dbraw/zinc/41/25/89/484412589.db2.gz SNAHFNYSYPJFQM-KRWDZBQOSA-N 2 0 358.490 -0.047 20 0 FBADRP C[NH+]1CCN(c2cc(C(=O)N3CCN([C@@H]4CC[NH2+]C4)CC3)ccn2)CC1 ZINC000377589571 484412290 /nfs/dbraw/zinc/41/22/90/484412290.db2.gz SNAHFNYSYPJFQM-QGZVFWFLSA-N 2 0 358.490 -0.047 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H]3C(=O)NC[C@H]3C2)C1 ZINC000377727518 484420809 /nfs/dbraw/zinc/42/08/09/484420809.db2.gz ROVNBUCPOKAWEX-ARFHVFGLSA-N 2 0 352.479 -0.473 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H]3C(=O)NC[C@@H]3C2)C1 ZINC000377727519 484420961 /nfs/dbraw/zinc/42/09/61/484420961.db2.gz ROVNBUCPOKAWEX-BZUAXINKSA-N 2 0 352.479 -0.473 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@H]3C(=O)NC[C@@H]3C2)C1 ZINC000377727520 484421668 /nfs/dbraw/zinc/42/16/68/484421668.db2.gz ROVNBUCPOKAWEX-OAGGEKHMSA-N 2 0 352.479 -0.473 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@H]3C(=O)NC[C@H]3C2)C1 ZINC000377727521 484421243 /nfs/dbraw/zinc/42/12/43/484421243.db2.gz ROVNBUCPOKAWEX-XHSDSOJGSA-N 2 0 352.479 -0.473 20 0 FBADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CC1=O ZINC000377967604 484433050 /nfs/dbraw/zinc/43/30/50/484433050.db2.gz YSRDKBFLZNMXJN-DLBZAZTESA-N 2 0 365.522 -0.365 20 0 FBADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CC1=O ZINC000377967609 484433209 /nfs/dbraw/zinc/43/32/09/484433209.db2.gz YSRDKBFLZNMXJN-IRXDYDNUSA-N 2 0 365.522 -0.365 20 0 FBADRP CC(C)Nc1nc(NCCO)nc(N2CC[C@@H](N3CCOCC3)[C@H]2C)n1 ZINC000377985613 484435008 /nfs/dbraw/zinc/43/50/08/484435008.db2.gz MCIUBALDTRECJE-ZIAGYGMSSA-N 2 0 365.482 -0.761 20 0 FBADRP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)N1CC[NH2+]CC1 ZINC000390882829 483880000 /nfs/dbraw/zinc/88/00/00/483880000.db2.gz KFXXWDZIKGVJHG-UHFFFAOYSA-N 2 0 359.474 -0.648 20 0 FBADRP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)N1CCC[NH2+]CC1 ZINC000390908320 483882314 /nfs/dbraw/zinc/88/23/14/483882314.db2.gz VQZSKTGJIARSAC-UHFFFAOYSA-N 2 0 373.501 -0.258 20 0 FBADRP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C(=O)N1CC[NH2+]CC1 ZINC000390944269 483891547 /nfs/dbraw/zinc/89/15/47/483891547.db2.gz MVNAGSHJHJRORN-KRWDZBQOSA-N 2 0 360.458 -0.175 20 0 FBADRP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C(=O)N1CC[NH2+]CC1 ZINC000390944365 483891307 /nfs/dbraw/zinc/89/13/07/483891307.db2.gz MVNAGSHJHJRORN-QGZVFWFLSA-N 2 0 360.458 -0.175 20 0 FBADRP [NH3+]CCn1cc(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000390945357 484900422 /nfs/dbraw/zinc/90/04/22/484900422.db2.gz MKWJGUIRQCLEGB-UHFFFAOYSA-N 2 0 357.462 -0.216 20 0 FBADRP O=S(=O)(NCCN1CC[NH+](Cc2ccccc2)CC1)N1CC[NH2+]CC1 ZINC000391049188 842285706 /nfs/dbraw/zinc/28/57/06/842285706.db2.gz JFGAXCOXTZPBDX-UHFFFAOYSA-N 2 0 367.519 -0.456 20 0 FBADRP COCCN(C)C[C@H](O)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000392987743 842313637 /nfs/dbraw/zinc/31/36/37/842313637.db2.gz GMRJJXCBXGKVBG-IKGGRYGDSA-N 2 0 356.511 -0.494 20 0 FBADRP COCCN(C)C[C@H](O)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000392987744 842313472 /nfs/dbraw/zinc/31/34/72/842313472.db2.gz GMRJJXCBXGKVBG-IXDOHACOSA-N 2 0 356.511 -0.494 20 0 FBADRP COCCN(C)C[C@H](O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000392987745 842313748 /nfs/dbraw/zinc/31/37/48/842313748.db2.gz GMRJJXCBXGKVBG-ULQDDVLXSA-N 2 0 356.511 -0.494 20 0 FBADRP COCCN(C)C[C@H](O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000392987746 842313967 /nfs/dbraw/zinc/31/39/67/842313967.db2.gz GMRJJXCBXGKVBG-YESZJQIVSA-N 2 0 356.511 -0.494 20 0 FBADRP O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000408186627 483747385 /nfs/dbraw/zinc/74/73/85/483747385.db2.gz IQKUCIRNASEQDV-INIZCTEOSA-N 2 0 352.479 -0.938 20 0 FBADRP O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000408186628 483747515 /nfs/dbraw/zinc/74/75/15/483747515.db2.gz IQKUCIRNASEQDV-MRXNPFEDSA-N 2 0 352.479 -0.938 20 0 FBADRP CC(C)CC[C@H](O)CN1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000408346969 483891395 /nfs/dbraw/zinc/89/13/95/483891395.db2.gz PKXPIOHNGFTJKQ-INIZCTEOSA-N 2 0 362.540 -0.107 20 0 FBADRP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)C[NH+]1CCC(C)CC1 ZINC000410166517 483791531 /nfs/dbraw/zinc/79/15/31/483791531.db2.gz FCSKBBYCZVDKAP-UHFFFAOYSA-N 2 0 354.495 -0.033 20 0 FBADRP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000410169306 483792203 /nfs/dbraw/zinc/79/22/03/483792203.db2.gz DSFSCQNKIJBSEI-HNNXBMFYSA-N 2 0 372.535 -0.327 20 0 FBADRP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000410169307 483792096 /nfs/dbraw/zinc/79/20/96/483792096.db2.gz DSFSCQNKIJBSEI-OAHLLOKOSA-N 2 0 372.535 -0.327 20 0 FBADRP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000410170961 483792077 /nfs/dbraw/zinc/79/20/77/483792077.db2.gz INULFYISEOCEFX-INIZCTEOSA-N 2 0 370.494 -0.796 20 0 FBADRP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000410170962 483792038 /nfs/dbraw/zinc/79/20/38/483792038.db2.gz INULFYISEOCEFX-MRXNPFEDSA-N 2 0 370.494 -0.796 20 0 FBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000410431262 483803579 /nfs/dbraw/zinc/80/35/79/483803579.db2.gz GZYGMPFYHWZAIE-ARFHVFGLSA-N 2 0 352.479 -0.282 20 0 FBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000410431265 483803693 /nfs/dbraw/zinc/80/36/93/483803693.db2.gz GZYGMPFYHWZAIE-HRCADAONSA-N 2 0 352.479 -0.282 20 0 FBADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000410470896 483808419 /nfs/dbraw/zinc/80/84/19/483808419.db2.gz PMAHKYMCTPYFJC-INIZCTEOSA-N 2 0 355.527 -0.119 20 0 FBADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000410470910 483807991 /nfs/dbraw/zinc/80/79/91/483807991.db2.gz PMAHKYMCTPYFJC-MRXNPFEDSA-N 2 0 355.527 -0.119 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH+](C)C)C2)CCN1C1CC[NH+](C)CC1 ZINC000410485408 483808723 /nfs/dbraw/zinc/80/87/23/483808723.db2.gz JBHCSTQXHBQWSW-DOTOQJQBSA-N 2 0 365.522 -0.224 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH+](C)C)C2)CCN1C1CC[NH+](C)CC1 ZINC000410485409 483808999 /nfs/dbraw/zinc/80/89/99/483808999.db2.gz JBHCSTQXHBQWSW-NVXWUHKLSA-N 2 0 365.522 -0.224 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)N2CC[C@H]([NH+](C)C)C2)CCN1C1CC[NH+](C)CC1 ZINC000410485410 483808813 /nfs/dbraw/zinc/80/88/13/483808813.db2.gz JBHCSTQXHBQWSW-RDJZCZTQSA-N 2 0 365.522 -0.224 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([NH+](C)C)C2)CCN1C1CC[NH+](C)CC1 ZINC000410485411 483808894 /nfs/dbraw/zinc/80/88/94/483808894.db2.gz JBHCSTQXHBQWSW-WBVHZDCISA-N 2 0 365.522 -0.224 20 0 FBADRP C[NH+](C)[C@H]1CCN(C(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000410492046 483809511 /nfs/dbraw/zinc/80/95/11/483809511.db2.gz WUMMSARXGZXTMM-CVEARBPZSA-N 2 0 352.479 -0.280 20 0 FBADRP C[NH+](C)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000410492047 483809479 /nfs/dbraw/zinc/80/94/79/483809479.db2.gz WUMMSARXGZXTMM-HZPDHXFCSA-N 2 0 352.479 -0.280 20 0 FBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000410496610 483809803 /nfs/dbraw/zinc/80/98/03/483809803.db2.gz GIDXPULIXYJORV-CVEARBPZSA-N 2 0 354.495 -0.034 20 0 FBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000410496611 483810029 /nfs/dbraw/zinc/81/00/29/483810029.db2.gz GIDXPULIXYJORV-HOTGVXAUSA-N 2 0 354.495 -0.034 20 0 FBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000410496612 483809912 /nfs/dbraw/zinc/80/99/12/483809912.db2.gz GIDXPULIXYJORV-HZPDHXFCSA-N 2 0 354.495 -0.034 20 0 FBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000410496614 483809921 /nfs/dbraw/zinc/80/99/21/483809921.db2.gz GIDXPULIXYJORV-JKSUJKDBSA-N 2 0 354.495 -0.034 20 0 FBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000410502712 483812592 /nfs/dbraw/zinc/81/25/92/483812592.db2.gz JRAMHTJJZVXYPX-INIZCTEOSA-N 2 0 354.495 -0.033 20 0 FBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000410502713 483812596 /nfs/dbraw/zinc/81/25/96/483812596.db2.gz JRAMHTJJZVXYPX-MRXNPFEDSA-N 2 0 354.495 -0.033 20 0 FBADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000410503729 483812492 /nfs/dbraw/zinc/81/24/92/483812492.db2.gz OPZXBJYXGLAMLN-JKSUJKDBSA-N 2 0 354.495 -0.034 20 0 FBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000410505001 483812845 /nfs/dbraw/zinc/81/28/45/483812845.db2.gz STEXDFZQWACJJC-GOSISDBHSA-N 2 0 354.495 -0.033 20 0 FBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000410505002 483813060 /nfs/dbraw/zinc/81/30/60/483813060.db2.gz STEXDFZQWACJJC-SFHVURJKSA-N 2 0 354.495 -0.033 20 0 FBADRP O=C(C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000410532577 483818246 /nfs/dbraw/zinc/81/82/46/483818246.db2.gz WSVJGFVFXXKLBJ-DLBZAZTESA-N 2 0 364.490 -0.136 20 0 FBADRP O=C(C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000410532578 483818033 /nfs/dbraw/zinc/81/80/33/483818033.db2.gz WSVJGFVFXXKLBJ-IAGOWNOFSA-N 2 0 364.490 -0.136 20 0 FBADRP O=C(C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000410532579 483817841 /nfs/dbraw/zinc/81/78/41/483817841.db2.gz WSVJGFVFXXKLBJ-IRXDYDNUSA-N 2 0 364.490 -0.136 20 0 FBADRP O=C(C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000410532581 483817984 /nfs/dbraw/zinc/81/79/84/483817984.db2.gz WSVJGFVFXXKLBJ-SJORKVTESA-N 2 0 364.490 -0.136 20 0 FBADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)N2CCN(C3CCC3)CC2)CC1 ZINC000410570501 483947701 /nfs/dbraw/zinc/94/77/01/483947701.db2.gz IORJNSXPZKUOER-UHFFFAOYSA-N 2 0 366.506 -0.012 20 0 FBADRP CC(C)N1CCN(C(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)CC1 ZINC000410574752 483947264 /nfs/dbraw/zinc/94/72/64/483947264.db2.gz LLVROBDBVWCBCE-UHFFFAOYSA-N 2 0 354.495 -0.156 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)C[C@H](C)N1CCO ZINC000410728617 484033800 /nfs/dbraw/zinc/03/38/00/484033800.db2.gz FIPCAYRLYJLZEV-CAOSSQGBSA-N 2 0 354.495 -0.302 20 0 FBADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1C[C@@H]2CC[NH+](C)[C@@H]2C1 ZINC000410733150 484049950 /nfs/dbraw/zinc/04/99/50/484049950.db2.gz OALIEAHNJNIXLD-YQQAZPJKSA-N 2 0 364.490 -0.139 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H](C)N1CCO ZINC000410735376 484049325 /nfs/dbraw/zinc/04/93/25/484049325.db2.gz XVIRIYDIJLIRJU-CAOSSQGBSA-N 2 0 354.495 -0.159 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H](C)N1CCO ZINC000410735378 484049726 /nfs/dbraw/zinc/04/97/26/484049726.db2.gz XVIRIYDIJLIRJU-JONQDZQNSA-N 2 0 354.495 -0.159 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)C[C@H](C)N1CCO ZINC000410735380 484048857 /nfs/dbraw/zinc/04/88/57/484048857.db2.gz XVIRIYDIJLIRJU-LVQVYYBASA-N 2 0 354.495 -0.159 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)C[C@H](C)N1CCO ZINC000410735381 484048992 /nfs/dbraw/zinc/04/89/92/484048992.db2.gz XVIRIYDIJLIRJU-WCVJEAGWSA-N 2 0 354.495 -0.159 20 0 FBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)CC1 ZINC000410789471 484062501 /nfs/dbraw/zinc/06/25/01/484062501.db2.gz HUPRPYVPKYOQDS-GOEBONIOSA-N 2 0 373.457 -0.099 20 0 FBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@H](C[NH+]4CCOCC4)C3)C[C@@H]21 ZINC000410791701 484064377 /nfs/dbraw/zinc/06/43/77/484064377.db2.gz MIPRRQOLANVQAB-ZACQAIPSSA-N 2 0 364.490 -0.280 20 0 FBADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCN(C[C@@H](C)O)CC2)C1 ZINC000410809774 484065265 /nfs/dbraw/zinc/06/52/65/484065265.db2.gz SPLLTPNHUBTSRK-CVEARBPZSA-N 2 0 354.495 -0.298 20 0 FBADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCN(C[C@H](C)O)CC2)C1 ZINC000410809775 484065388 /nfs/dbraw/zinc/06/53/88/484065388.db2.gz SPLLTPNHUBTSRK-HOTGVXAUSA-N 2 0 354.495 -0.298 20 0 FBADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCN(C[C@@H](C)O)CC2)C1 ZINC000410809776 484065718 /nfs/dbraw/zinc/06/57/18/484065718.db2.gz SPLLTPNHUBTSRK-HZPDHXFCSA-N 2 0 354.495 -0.298 20 0 FBADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCN(C[C@H](C)O)CC2)C1 ZINC000410809777 484065442 /nfs/dbraw/zinc/06/54/42/484065442.db2.gz SPLLTPNHUBTSRK-JKSUJKDBSA-N 2 0 354.495 -0.298 20 0 FBADRP COC(=O)CCN1CCN(C(=O)C(=O)N2CCN(C(C)C)CC2)[C@@H](C)C1 ZINC000410939329 484118756 /nfs/dbraw/zinc/11/87/56/484118756.db2.gz SUKOGUQGUSJYMZ-HNNXBMFYSA-N 2 0 368.478 -0.365 20 0 FBADRP COC(=O)CCN1CCN(C(=O)C(=O)N2CCN(C(C)C)CC2)[C@H](C)C1 ZINC000410939330 484119518 /nfs/dbraw/zinc/11/95/18/484119518.db2.gz SUKOGUQGUSJYMZ-OAHLLOKOSA-N 2 0 368.478 -0.365 20 0 FBADRP CC(C)N1CCN(C(=O)C(=O)N2CCN(CC(C)(C)O)C[C@@H]2C)CC1 ZINC000410939864 484119683 /nfs/dbraw/zinc/11/96/83/484119683.db2.gz XDEQYXXRKXCITF-HNNXBMFYSA-N 2 0 354.495 -0.157 20 0 FBADRP CC(C)N1CCN(C(=O)C(=O)N2CCN(CC(C)(C)O)C[C@H]2C)CC1 ZINC000410939865 484119797 /nfs/dbraw/zinc/11/97/97/484119797.db2.gz XDEQYXXRKXCITF-OAHLLOKOSA-N 2 0 354.495 -0.157 20 0 FBADRP Cn1ccnc1CN1CCN(C(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000410965246 484126878 /nfs/dbraw/zinc/12/68/78/484126878.db2.gz BFDQFDISYXOBLB-CVEARBPZSA-N 2 0 374.489 -0.383 20 0 FBADRP Cn1ccnc1CN1CCN(C(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000410965249 484127501 /nfs/dbraw/zinc/12/75/01/484127501.db2.gz BFDQFDISYXOBLB-HOTGVXAUSA-N 2 0 374.489 -0.383 20 0 FBADRP Cn1ccnc1CN1CCN(C(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000410965252 484127423 /nfs/dbraw/zinc/12/74/23/484127423.db2.gz BFDQFDISYXOBLB-HZPDHXFCSA-N 2 0 374.489 -0.383 20 0 FBADRP Cn1ccnc1CN1CCN(C(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000410965253 484127257 /nfs/dbraw/zinc/12/72/57/484127257.db2.gz BFDQFDISYXOBLB-JKSUJKDBSA-N 2 0 374.489 -0.383 20 0 FBADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000410992621 484135507 /nfs/dbraw/zinc/13/55/07/484135507.db2.gz XGUQDFBOXYQYPG-DLBZAZTESA-N 2 0 367.538 -0.119 20 0 FBADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000410992622 484135894 /nfs/dbraw/zinc/13/58/94/484135894.db2.gz XGUQDFBOXYQYPG-IAGOWNOFSA-N 2 0 367.538 -0.119 20 0 FBADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000410992624 484134958 /nfs/dbraw/zinc/13/49/58/484134958.db2.gz XGUQDFBOXYQYPG-IRXDYDNUSA-N 2 0 367.538 -0.119 20 0 FBADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000410992627 484135158 /nfs/dbraw/zinc/13/51/58/484135158.db2.gz XGUQDFBOXYQYPG-SJORKVTESA-N 2 0 367.538 -0.119 20 0 FBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H](C[NH+]4CCOCC4)C3)C[C@@H]21 ZINC000411019361 484139122 /nfs/dbraw/zinc/13/91/22/484139122.db2.gz MIPRRQOLANVQAB-BBWFWOEESA-N 2 0 364.490 -0.280 20 0 FBADRP C[C@H](CC[NH+]1C[C@@H](C)O[C@H](C(N)=O)C1)CC[N@@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000411315372 484189840 /nfs/dbraw/zinc/18/98/40/484189840.db2.gz HYVLDQJIFOARFE-DGXTUMSLSA-N 2 0 370.494 -0.448 20 0 FBADRP CC(CC[NH+]1C[C@@H](C)O[C@@H](C(N)=O)C1)CC[N@@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000411315373 484190061 /nfs/dbraw/zinc/19/00/61/484190061.db2.gz HYVLDQJIFOARFE-KLHDSHLOSA-N 2 0 370.494 -0.448 20 0 FBADRP CC(CC[NH+]1C[C@@H](C)O[C@H](C(N)=O)C1)CC[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000411315374 484188864 /nfs/dbraw/zinc/18/88/64/484188864.db2.gz HYVLDQJIFOARFE-WCVJEAGWSA-N 2 0 370.494 -0.448 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@@H](C(=O)N(C)C)C2)C1 ZINC000411939000 484222391 /nfs/dbraw/zinc/22/23/91/484222391.db2.gz NDSKRSFQLBBUTP-CVEARBPZSA-N 2 0 354.495 -0.131 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@H](C(=O)N(C)C)C2)C1 ZINC000411939001 484222007 /nfs/dbraw/zinc/22/20/07/484222007.db2.gz NDSKRSFQLBBUTP-HOTGVXAUSA-N 2 0 354.495 -0.131 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@H](C(=O)N(C)C)C2)C1 ZINC000411939002 484221702 /nfs/dbraw/zinc/22/17/02/484221702.db2.gz NDSKRSFQLBBUTP-HZPDHXFCSA-N 2 0 354.495 -0.131 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H](C(=O)N(C)C)C2)C1 ZINC000411939003 484221774 /nfs/dbraw/zinc/22/17/74/484221774.db2.gz NDSKRSFQLBBUTP-JKSUJKDBSA-N 2 0 354.495 -0.131 20 0 FBADRP COCC[NH+]1CCC(NC(=O)N2CC[N@H+](C)C[C@H](C(=O)OC)C2)CC1 ZINC000413171666 484283625 /nfs/dbraw/zinc/28/36/25/484283625.db2.gz MYFJIBMWGGHYPY-AWEZNQCLSA-N 2 0 356.467 -0.157 20 0 FBADRP COCC[NH+]1CCC(NC(=O)N2CC[N@H+](C)C[C@@H](C(=O)OC)C2)CC1 ZINC000413171668 484283395 /nfs/dbraw/zinc/28/33/95/484283395.db2.gz MYFJIBMWGGHYPY-CQSZACIVSA-N 2 0 356.467 -0.157 20 0 FBADRP COCC[N@H+](C)CCNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000413246338 484285439 /nfs/dbraw/zinc/28/54/39/484285439.db2.gz OYYALBJHJWOJLG-UHFFFAOYSA-N 2 0 371.526 -0.340 20 0 FBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](C)C[C@@H](C(=O)OC)C1 ZINC000413256472 484284989 /nfs/dbraw/zinc/28/49/89/484284989.db2.gz AWVLVKUYCJYHQG-CABCVRRESA-N 2 0 356.467 -0.157 20 0 FBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](C)C[C@H](C(=O)OC)C1 ZINC000413256475 484285584 /nfs/dbraw/zinc/28/55/84/484285584.db2.gz AWVLVKUYCJYHQG-GJZGRUSLSA-N 2 0 356.467 -0.157 20 0 FBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](C)C[C@@H](C(=O)OC)C1 ZINC000413256477 484285404 /nfs/dbraw/zinc/28/54/04/484285404.db2.gz AWVLVKUYCJYHQG-HUUCEWRRSA-N 2 0 356.467 -0.157 20 0 FBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](C)C[C@H](C(=O)OC)C1 ZINC000413256478 484285510 /nfs/dbraw/zinc/28/55/10/484285510.db2.gz AWVLVKUYCJYHQG-LSDHHAIUSA-N 2 0 356.467 -0.157 20 0 FBADRP COC(=O)[C@@H]1CN(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC[N@H+](C)C1 ZINC000413313556 484286792 /nfs/dbraw/zinc/28/67/92/484286792.db2.gz LKCRIVGYQODFHP-CVEARBPZSA-N 2 0 369.510 -0.384 20 0 FBADRP COC(=O)[C@@H]1CN(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC[N@H+](C)C1 ZINC000413313559 484287673 /nfs/dbraw/zinc/28/76/73/484287673.db2.gz LKCRIVGYQODFHP-HOTGVXAUSA-N 2 0 369.510 -0.384 20 0 FBADRP COC(=O)[C@H]1CN(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC[N@H+](C)C1 ZINC000413313561 484287547 /nfs/dbraw/zinc/28/75/47/484287547.db2.gz LKCRIVGYQODFHP-HZPDHXFCSA-N 2 0 369.510 -0.384 20 0 FBADRP COC(=O)[C@H]1CN(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC[N@H+](C)C1 ZINC000413313562 484286904 /nfs/dbraw/zinc/28/69/04/484286904.db2.gz LKCRIVGYQODFHP-JKSUJKDBSA-N 2 0 369.510 -0.384 20 0 FBADRP COC(=O)[C@@H]1CN(C(=O)NCCN2CCC([NH+](C)C)CC2)CC[N@H+](C)C1 ZINC000413403347 484288474 /nfs/dbraw/zinc/28/84/74/484288474.db2.gz NSRJIQBDXXJGKP-HNNXBMFYSA-N 2 0 369.510 -0.241 20 0 FBADRP COC(=O)[C@H]1CN(C(=O)NCCN2CCC([NH+](C)C)CC2)CC[N@H+](C)C1 ZINC000413403348 484290468 /nfs/dbraw/zinc/29/04/68/484290468.db2.gz NSRJIQBDXXJGKP-OAHLLOKOSA-N 2 0 369.510 -0.241 20 0 FBADRP C[C@@H](O)CNc1cc(NCC2(N3CCOCC3)CCOCC2)ncn1 ZINC000413404585 484483888 /nfs/dbraw/zinc/48/38/88/484483888.db2.gz OVTOQSJGGCAHMQ-CQSZACIVSA-N 2 0 351.451 0.563 20 0 FBADRP COC(=O)[C@@H]1CN(C(=O)NCCN2CC[NH+](C)C(C)(C)C2)CC[N@H+](C)C1 ZINC000413517430 484292420 /nfs/dbraw/zinc/29/24/20/484292420.db2.gz RTPNCQVBMVNBCR-HNNXBMFYSA-N 2 0 369.510 -0.241 20 0 FBADRP COC(=O)[C@H]1CN(C(=O)NCCN2CC[NH+](C)C(C)(C)C2)CC[N@H+](C)C1 ZINC000413517433 484292280 /nfs/dbraw/zinc/29/22/80/484292280.db2.gz RTPNCQVBMVNBCR-OAHLLOKOSA-N 2 0 369.510 -0.241 20 0 FBADRP [NH3+]Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1 ZINC000414808801 483682670 /nfs/dbraw/zinc/68/26/70/483682670.db2.gz TZKNXPJHVSRNIJ-UHFFFAOYSA-N 2 0 373.457 -0.150 20 0 FBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000414971305 483824089 /nfs/dbraw/zinc/82/40/89/483824089.db2.gz IKKPCDMICJOAKR-INIZCTEOSA-N 2 0 373.457 -0.151 20 0 FBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000414971641 483823918 /nfs/dbraw/zinc/82/39/18/483823918.db2.gz IKKPCDMICJOAKR-MRXNPFEDSA-N 2 0 373.457 -0.151 20 0 FBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)NCC2([NH3+])CCCCCC2)n1 ZINC000415322576 484098849 /nfs/dbraw/zinc/09/88/49/484098849.db2.gz YSXFULYYPFLVLB-UHFFFAOYSA-N 2 0 350.467 0.551 20 0 FBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)n1 ZINC000415668949 484101215 /nfs/dbraw/zinc/10/12/15/484101215.db2.gz ASGUCCBRBFFCCJ-CYBMUJFWSA-N 2 0 350.467 0.278 20 0 FBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)n1 ZINC000415668951 484100945 /nfs/dbraw/zinc/10/09/45/484100945.db2.gz ASGUCCBRBFFCCJ-ZDUSSCGKSA-N 2 0 350.467 0.278 20 0 FBADRP COCC[N@H+](C)CCCNC(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000415948095 483885690 /nfs/dbraw/zinc/88/56/90/483885690.db2.gz BRMPBNAYEJVUAY-UHFFFAOYSA-N 2 0 351.455 -0.024 20 0 FBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)[C@@H](C)C1 ZINC000415948538 483885647 /nfs/dbraw/zinc/88/56/47/483885647.db2.gz CYWPHQIKGGULJA-KBPBESRZSA-N 2 0 363.466 -0.195 20 0 FBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)[C@H](C)C1 ZINC000415948541 483885637 /nfs/dbraw/zinc/88/56/37/483885637.db2.gz CYWPHQIKGGULJA-KGLIPLIRSA-N 2 0 363.466 -0.195 20 0 FBADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)[C@@H](C)C1 ZINC000415948542 483885856 /nfs/dbraw/zinc/88/58/56/483885856.db2.gz CYWPHQIKGGULJA-UONOGXRCSA-N 2 0 363.466 -0.195 20 0 FBADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)[C@H](C)C1 ZINC000415948543 483885875 /nfs/dbraw/zinc/88/58/75/483885875.db2.gz CYWPHQIKGGULJA-ZIAGYGMSSA-N 2 0 363.466 -0.195 20 0 FBADRP O=C(NC[C@@H]1CCCC[N@H+]1CCO)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000415948591 483885847 /nfs/dbraw/zinc/88/58/47/483885847.db2.gz DENKJOVPUSBTCH-HNNXBMFYSA-N 2 0 363.466 -0.146 20 0 FBADRP O=C(NC[C@H]1CCCC[N@H+]1CCO)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000415948592 483885518 /nfs/dbraw/zinc/88/55/18/483885518.db2.gz DENKJOVPUSBTCH-OAHLLOKOSA-N 2 0 363.466 -0.146 20 0 FBADRP O=C(NC[C@@H]1CCC[N@H+]1CCCO)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000415950615 483885630 /nfs/dbraw/zinc/88/56/30/483885630.db2.gz HUIWXXNXNGYHEU-HNNXBMFYSA-N 2 0 363.466 -0.146 20 0 FBADRP O=C(NC[C@H]1CCC[N@H+]1CCCO)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000415950616 483886201 /nfs/dbraw/zinc/88/62/01/483886201.db2.gz HUIWXXNXNGYHEU-OAHLLOKOSA-N 2 0 363.466 -0.146 20 0 FBADRP CN(C)CC[N@H+](C)CCCNC(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000415954754 483886129 /nfs/dbraw/zinc/88/61/29/483886129.db2.gz OOXOLUHWFDEPES-UHFFFAOYSA-N 2 0 364.498 -0.109 20 0 FBADRP COCCC[N@H+](C)CCNC(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000415957084 483885725 /nfs/dbraw/zinc/88/57/25/483885725.db2.gz SZNRQOGKPRXMBF-UHFFFAOYSA-N 2 0 351.455 -0.024 20 0 FBADRP CC(C)(O)C[NH+]1CCN(C(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)CC1 ZINC000415957357 483885905 /nfs/dbraw/zinc/88/59/05/483885905.db2.gz UFJOFVFIJSWRCH-UHFFFAOYSA-N 2 0 363.466 -0.193 20 0 FBADRP COCCN(CC[NH+](C)C)C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000415958079 483885585 /nfs/dbraw/zinc/88/55/85/483885585.db2.gz VXZQQPYATNCJKE-UHFFFAOYSA-N 2 0 351.455 -0.072 20 0 FBADRP O=C(Nc1cnc(N2CC[NH2+]CC2)nc1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000415959092 483885729 /nfs/dbraw/zinc/88/57/29/483885729.db2.gz YQVXEAMKEBRWGY-AWEZNQCLSA-N 2 0 363.466 -0.146 20 0 FBADRP O=C(Nc1cnc(N2CC[NH2+]CC2)nc1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000415959093 483885744 /nfs/dbraw/zinc/88/57/44/483885744.db2.gz YQVXEAMKEBRWGY-CQSZACIVSA-N 2 0 363.466 -0.146 20 0 FBADRP C[NH+](C)C1(CNC(=O)[C@@H]2CC[C@@H](C(=O)NCC3([NH+](C)C)CC3)O2)CC1 ZINC000416309730 483887297 /nfs/dbraw/zinc/88/72/97/483887297.db2.gz XAORGYAMPJAHJJ-KBPBESRZSA-N 2 0 352.479 -0.045 20 0 FBADRP C[NH+](C)C1(CNC(=O)[C@H]2CC[C@@H](C(=O)NCC3([NH+](C)C)CC3)O2)CC1 ZINC000416309731 483887220 /nfs/dbraw/zinc/88/72/20/483887220.db2.gz XAORGYAMPJAHJJ-OKILXGFUSA-N 2 0 352.479 -0.045 20 0 FBADRP C[NH+](C)C1(CNC(=O)[C@H]2CC[C@H](C(=O)NCC3([NH+](C)C)CC3)O2)CC1 ZINC000416309732 483887258 /nfs/dbraw/zinc/88/72/58/483887258.db2.gz XAORGYAMPJAHJJ-ZIAGYGMSSA-N 2 0 352.479 -0.045 20 0 FBADRP COC(=O)[C@H]1CN(C(=O)Nc2ccn(CC[NH+](C)C)n2)CC[N@H+](C)C1 ZINC000416855491 484276696 /nfs/dbraw/zinc/27/66/96/484276696.db2.gz CBWAEZXBDGCLNS-CYBMUJFWSA-N 2 0 352.439 0.013 20 0 FBADRP COC(=O)[C@@H]1CN(C(=O)Nc2ccn(CC[NH+](C)C)n2)CC[N@H+](C)C1 ZINC000416855496 484280268 /nfs/dbraw/zinc/28/02/68/484280268.db2.gz CBWAEZXBDGCLNS-ZDUSSCGKSA-N 2 0 352.439 0.013 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000416863883 483891600 /nfs/dbraw/zinc/89/16/00/483891600.db2.gz HJDBQXROHPYDNP-CVEARBPZSA-N 2 0 369.510 -0.160 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000416863884 483891416 /nfs/dbraw/zinc/89/14/16/483891416.db2.gz HJDBQXROHPYDNP-HOTGVXAUSA-N 2 0 369.510 -0.160 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000416863885 483891308 /nfs/dbraw/zinc/89/13/08/483891308.db2.gz HJDBQXROHPYDNP-HZPDHXFCSA-N 2 0 369.510 -0.160 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000416863886 483891616 /nfs/dbraw/zinc/89/16/16/483891616.db2.gz HJDBQXROHPYDNP-JKSUJKDBSA-N 2 0 369.510 -0.160 20 0 FBADRP C[C@@H]1C[NH+](CCCNC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C[C@@H](C)O1 ZINC000416935074 483891611 /nfs/dbraw/zinc/89/16/11/483891611.db2.gz ADVJDTKQDLXOLH-BZUAXINKSA-N 2 0 369.510 -0.018 20 0 FBADRP C[C@@H]1C[NH+](CCCNC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C[C@@H](C)O1 ZINC000416935075 483891443 /nfs/dbraw/zinc/89/14/43/483891443.db2.gz ADVJDTKQDLXOLH-OAGGEKHMSA-N 2 0 369.510 -0.018 20 0 FBADRP C[C@@H]1C[N@@H+](CCCNC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C[C@H](C)O1 ZINC000416935076 483891581 /nfs/dbraw/zinc/89/15/81/483891581.db2.gz ADVJDTKQDLXOLH-OWCLPIDISA-N 2 0 369.510 -0.018 20 0 FBADRP C[C@@H]1C[N@@H+](CCCNC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C[C@H](C)O1 ZINC000416935077 483892130 /nfs/dbraw/zinc/89/21/30/483892130.db2.gz ADVJDTKQDLXOLH-XHSDSOJGSA-N 2 0 369.510 -0.018 20 0 FBADRP COCC[N@H+](C)CCCNC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000417091198 483892492 /nfs/dbraw/zinc/89/24/92/483892492.db2.gz JGDBAGXHKSEEPT-INIZCTEOSA-N 2 0 369.510 -0.192 20 0 FBADRP COCC[N@H+](C)CCCNC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000417091199 483892296 /nfs/dbraw/zinc/89/22/96/483892296.db2.gz JGDBAGXHKSEEPT-MRXNPFEDSA-N 2 0 369.510 -0.192 20 0 FBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NC[C@@H]1C[NH2+]CCO1 ZINC000417363130 483898645 /nfs/dbraw/zinc/89/86/45/483898645.db2.gz ALJUNGWZPJDHEV-KRWDZBQOSA-N 3 0 362.478 -0.119 20 0 FBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NC[C@H]1C[NH2+]CCO1 ZINC000417363133 483898507 /nfs/dbraw/zinc/89/85/07/483898507.db2.gz ALJUNGWZPJDHEV-QGZVFWFLSA-N 3 0 362.478 -0.119 20 0 FBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCOC2(C[NH2+]C2)C1 ZINC000417378088 483906661 /nfs/dbraw/zinc/90/66/61/483906661.db2.gz DWNJXNSULPWHLE-UHFFFAOYSA-N 3 0 374.489 -0.023 20 0 FBADRP [NH3+]C[C@H]1CN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCO1 ZINC000417391325 483942738 /nfs/dbraw/zinc/94/27/38/483942738.db2.gz RLBRWOJOYWOWPO-KRWDZBQOSA-N 3 0 362.478 -0.037 20 0 FBADRP [NH3+]C[C@@H]1CN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCO1 ZINC000417391337 483941712 /nfs/dbraw/zinc/94/17/12/483941712.db2.gz RLBRWOJOYWOWPO-QGZVFWFLSA-N 3 0 362.478 -0.037 20 0 FBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCCCN1CC[NH2+]CC1 ZINC000417426522 484002480 /nfs/dbraw/zinc/00/24/80/484002480.db2.gz HAOZVMOGZXHQRC-INIZCTEOSA-N 2 0 368.526 -0.476 20 0 FBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCCCN1CC[NH2+]CC1 ZINC000417426532 484002413 /nfs/dbraw/zinc/00/24/13/484002413.db2.gz HAOZVMOGZXHQRC-MRXNPFEDSA-N 2 0 368.526 -0.476 20 0 FBADRP COC[C@]1(CNC(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CCC[NH2+]1 ZINC000417434242 484003406 /nfs/dbraw/zinc/00/34/06/484003406.db2.gz WXCULNZWIRIDFQ-CRAIPNDOSA-N 2 0 369.510 -0.003 20 0 FBADRP COC[C@]1(CNC(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CCC[NH2+]1 ZINC000417434248 484003044 /nfs/dbraw/zinc/00/30/44/484003044.db2.gz WXCULNZWIRIDFQ-MAUKXSAKSA-N 2 0 369.510 -0.003 20 0 FBADRP COC[C@@]1(CNC(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CCC[NH2+]1 ZINC000417434249 484002831 /nfs/dbraw/zinc/00/28/31/484002831.db2.gz WXCULNZWIRIDFQ-QAPCUYQASA-N 2 0 369.510 -0.003 20 0 FBADRP COC[C@@]1(CNC(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CCC[NH2+]1 ZINC000417434250 484002564 /nfs/dbraw/zinc/00/25/64/484002564.db2.gz WXCULNZWIRIDFQ-YJBOKZPZSA-N 2 0 369.510 -0.003 20 0 FBADRP COCC[N@H+](C)CCNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000417442019 484004642 /nfs/dbraw/zinc/00/46/42/484004642.db2.gz SDUMJVRERRUBGD-GFCCVEGCSA-N 2 0 355.405 -0.300 20 0 FBADRP COCC[N@H+](C)CCNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000417442020 484004228 /nfs/dbraw/zinc/00/42/28/484004228.db2.gz SDUMJVRERRUBGD-LBPRGKRZSA-N 2 0 355.405 -0.300 20 0 FBADRP COCC[N@H+](C)CCNC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000417445819 484008145 /nfs/dbraw/zinc/00/81/45/484008145.db2.gz ILKNEDKHUPTFRP-HNNXBMFYSA-N 2 0 355.483 -0.582 20 0 FBADRP COCC[N@H+](C)CCNC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000417445820 484008518 /nfs/dbraw/zinc/00/85/18/484008518.db2.gz ILKNEDKHUPTFRP-OAHLLOKOSA-N 2 0 355.483 -0.582 20 0 FBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000417559761 484036884 /nfs/dbraw/zinc/03/68/84/484036884.db2.gz ANAGJOWZGBYDRD-CABCVRRESA-N 2 0 355.483 -0.406 20 0 FBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000417559762 484036665 /nfs/dbraw/zinc/03/66/65/484036665.db2.gz ANAGJOWZGBYDRD-GJZGRUSLSA-N 2 0 355.483 -0.406 20 0 FBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000417559763 484036598 /nfs/dbraw/zinc/03/65/98/484036598.db2.gz ANAGJOWZGBYDRD-HUUCEWRRSA-N 2 0 355.483 -0.406 20 0 FBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000417559764 484037482 /nfs/dbraw/zinc/03/74/82/484037482.db2.gz ANAGJOWZGBYDRD-LSDHHAIUSA-N 2 0 355.483 -0.406 20 0 FBADRP COCC[N@@H+]1CC[C@@H](NC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000417702110 484066238 /nfs/dbraw/zinc/06/62/38/484066238.db2.gz ILMMPUGCIAKBOA-CABCVRRESA-N 2 0 355.483 -0.264 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000417702111 484066192 /nfs/dbraw/zinc/06/61/92/484066192.db2.gz ILMMPUGCIAKBOA-GJZGRUSLSA-N 2 0 355.483 -0.264 20 0 FBADRP COCC[N@@H+]1CC[C@@H](NC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000417702112 484066368 /nfs/dbraw/zinc/06/63/68/484066368.db2.gz ILMMPUGCIAKBOA-HUUCEWRRSA-N 2 0 355.483 -0.264 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000417702113 484066257 /nfs/dbraw/zinc/06/62/57/484066257.db2.gz ILMMPUGCIAKBOA-LSDHHAIUSA-N 2 0 355.483 -0.264 20 0 FBADRP COCC[N@@H+]1CC[C@@H](NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000417702922 484065467 /nfs/dbraw/zinc/06/54/67/484065467.db2.gz JKUAYZSQGWCKRK-CHWSQXEVSA-N 2 0 367.416 -0.158 20 0 FBADRP COCC[N@@H+]1CC[C@@H](NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000417702923 484065579 /nfs/dbraw/zinc/06/55/79/484065579.db2.gz JKUAYZSQGWCKRK-OLZOCXBDSA-N 2 0 367.416 -0.158 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000417702924 484065822 /nfs/dbraw/zinc/06/58/22/484065822.db2.gz JKUAYZSQGWCKRK-QWHCGFSZSA-N 2 0 367.416 -0.158 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000417702925 484066566 /nfs/dbraw/zinc/06/65/66/484066566.db2.gz JKUAYZSQGWCKRK-STQMWFEESA-N 2 0 367.416 -0.158 20 0 FBADRP COCCC[N@H+](C)CCNC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000417742446 484073606 /nfs/dbraw/zinc/07/36/06/484073606.db2.gz BCKWCUTXWMRJBM-INIZCTEOSA-N 2 0 369.510 -0.192 20 0 FBADRP COCCC[N@H+](C)CCNC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000417742448 484073916 /nfs/dbraw/zinc/07/39/16/484073916.db2.gz BCKWCUTXWMRJBM-MRXNPFEDSA-N 2 0 369.510 -0.192 20 0 FBADRP CN1CC[NH2+]C[C@H]1CNC(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000417945038 484235827 /nfs/dbraw/zinc/23/58/27/484235827.db2.gz FFJWHGDQQBQDLR-HNNXBMFYSA-N 2 0 350.467 -0.275 20 0 FBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000417945039 484235725 /nfs/dbraw/zinc/23/57/25/484235725.db2.gz FFJWHGDQQBQDLR-OAHLLOKOSA-N 2 0 350.467 -0.275 20 0 FBADRP C[NH+](C)CCOc1cc(CNC(=O)NCCN2CC[NH2+]CC2)ccn1 ZINC000417949807 484268764 /nfs/dbraw/zinc/26/87/64/484268764.db2.gz KQWPOAJXQQFZJU-UHFFFAOYSA-N 2 0 350.467 -0.274 20 0 FBADRP C[NH+](C)CCOCCNC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000418070671 484549226 /nfs/dbraw/zinc/54/92/26/484549226.db2.gz RSSPOQMBWGILSE-HNNXBMFYSA-N 2 0 355.483 -0.582 20 0 FBADRP C[NH+](C)CCOCCNC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000418070672 484548918 /nfs/dbraw/zinc/54/89/18/484548918.db2.gz RSSPOQMBWGILSE-OAHLLOKOSA-N 2 0 355.483 -0.582 20 0 FBADRP C[NH+](C)CCOCCNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418073040 484549244 /nfs/dbraw/zinc/54/92/44/484549244.db2.gz VXLMLXPQYSNGNS-GFCCVEGCSA-N 2 0 355.405 -0.300 20 0 FBADRP C[NH+](C)CCOCCNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418073041 484549490 /nfs/dbraw/zinc/54/94/90/484549490.db2.gz VXLMLXPQYSNGNS-LBPRGKRZSA-N 2 0 355.405 -0.300 20 0 FBADRP O=C(NCC[N@@H+]1CCCOCC1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418230323 484085886 /nfs/dbraw/zinc/08/58/86/484085886.db2.gz WNMLRQNYEDXWFE-CYBMUJFWSA-N 2 0 367.416 -0.156 20 0 FBADRP O=C(NCC[N@@H+]1CCCOCC1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418230324 484086083 /nfs/dbraw/zinc/08/60/83/484086083.db2.gz WNMLRQNYEDXWFE-ZDUSSCGKSA-N 2 0 367.416 -0.156 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000418285007 484139142 /nfs/dbraw/zinc/13/91/42/484139142.db2.gz DIWQRSAWGXJVDD-UHFFFAOYSA-N 2 0 368.526 -0.523 20 0 FBADRP O=C(NCCCN1CC[NH2+]CC1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418285286 484144850 /nfs/dbraw/zinc/14/48/50/484144850.db2.gz FKNCKWLPYGPYHO-CYBMUJFWSA-N 2 0 366.432 -0.583 20 0 FBADRP O=C(NCCCN1CC[NH2+]CC1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418285293 484145005 /nfs/dbraw/zinc/14/50/05/484145005.db2.gz FKNCKWLPYGPYHO-ZDUSSCGKSA-N 2 0 366.432 -0.583 20 0 FBADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000418285826 484159177 /nfs/dbraw/zinc/15/91/77/484159177.db2.gz GKQVTJHHWKMBJP-UHFFFAOYSA-N 2 0 366.510 -0.769 20 0 FBADRP O=C(CNC(=O)NCCCN1CC[NH2+]CC1)NCC[NH+]1CCCCCC1 ZINC000418286956 484194436 /nfs/dbraw/zinc/19/44/36/484194436.db2.gz IXZCYKKIKVNOIN-UHFFFAOYSA-N 2 0 368.526 -0.427 20 0 FBADRP O=C(NCCN1CC[NH2+]CC1)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000418288329 484240913 /nfs/dbraw/zinc/24/09/13/484240913.db2.gz ARSSCTFGNGJZMI-MSOLQXFVSA-N 2 0 361.490 -0.174 20 0 FBADRP O=C(NCCN1CC[NH2+]CC1)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000418288330 484240606 /nfs/dbraw/zinc/24/06/06/484240606.db2.gz ARSSCTFGNGJZMI-QZTJIDSGSA-N 2 0 361.490 -0.174 20 0 FBADRP O=C(NCCN1CC[NH2+]CC1)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000418288331 484240797 /nfs/dbraw/zinc/24/07/97/484240797.db2.gz ARSSCTFGNGJZMI-ROUUACIJSA-N 2 0 361.490 -0.174 20 0 FBADRP O=C(NCCN1CC[NH2+]CC1)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000418288332 484241110 /nfs/dbraw/zinc/24/11/10/484241110.db2.gz ARSSCTFGNGJZMI-ZWKOTPCHSA-N 2 0 361.490 -0.174 20 0 FBADRP CCCN(CCN1CC[NH+](CC)CC1)C(=O)NCCN1CC[NH2+]CC1 ZINC000418290992 484291236 /nfs/dbraw/zinc/29/12/36/484291236.db2.gz ANNQHPQVKPOBIX-UHFFFAOYSA-N 2 0 354.543 -0.049 20 0 FBADRP O=C(NCCN1CC[NH2+]CC1)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000418291251 484293200 /nfs/dbraw/zinc/29/32/00/484293200.db2.gz AXVMRYZZGXQKHH-IBGZPJMESA-N 2 0 361.490 -0.172 20 0 FBADRP O=C(NCCN1CC[NH2+]CC1)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000418291255 484293623 /nfs/dbraw/zinc/29/36/23/484293623.db2.gz AXVMRYZZGXQKHH-LJQANCHMSA-N 2 0 361.490 -0.172 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000418296075 484465137 /nfs/dbraw/zinc/46/51/37/484465137.db2.gz IVSDFPMEPSDZEB-UHFFFAOYSA-N 2 0 354.499 -0.913 20 0 FBADRP CC(C)C[C@H](NC(=O)NCCN1CC[NH2+]CC1)C(=O)NCC[NH+](C)C ZINC000418296434 484465103 /nfs/dbraw/zinc/46/51/03/484465103.db2.gz JIKAXQPWOIVSJV-HNNXBMFYSA-N 2 0 356.515 -0.717 20 0 FBADRP O=C(NCCN1CC[NH2+]CC1)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000418297630 484465815 /nfs/dbraw/zinc/46/58/15/484465815.db2.gz KNLDSJNBSKCXLR-GOSISDBHSA-N 2 0 361.490 -0.390 20 0 FBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000418298637 484466763 /nfs/dbraw/zinc/46/67/63/484466763.db2.gz MQZYLYGYXBUAFH-INIZCTEOSA-N 2 0 366.510 -0.770 20 0 FBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000418298894 484466859 /nfs/dbraw/zinc/46/68/59/484466859.db2.gz MQZYLYGYXBUAFH-MRXNPFEDSA-N 2 0 366.510 -0.770 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCN1CC[NH2+]CC1 ZINC000418302828 484465871 /nfs/dbraw/zinc/46/58/71/484465871.db2.gz MOVVGRWFGOVRDV-KRWDZBQOSA-N 3 0 354.543 -0.051 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCN1CC[NH2+]CC1 ZINC000418302848 484467012 /nfs/dbraw/zinc/46/70/12/484467012.db2.gz MOVVGRWFGOVRDV-QGZVFWFLSA-N 3 0 354.543 -0.051 20 0 FBADRP O=C(CNC(=O)NCCN1CC[NH2+]CC1)NCC[NH+]1CCCCCC1 ZINC000418307967 484466662 /nfs/dbraw/zinc/46/66/62/484466662.db2.gz UEHWROSRBKUFIW-UHFFFAOYSA-N 2 0 354.499 -0.817 20 0 FBADRP O=C(NCCN1CC[NH2+]CC1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418309457 484467834 /nfs/dbraw/zinc/46/78/34/484467834.db2.gz WMLIRYUFDKLBTH-GFCCVEGCSA-N 2 0 352.405 -0.973 20 0 FBADRP O=C(NCCN1CC[NH2+]CC1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418309458 484468267 /nfs/dbraw/zinc/46/82/67/484468267.db2.gz WMLIRYUFDKLBTH-LBPRGKRZSA-N 2 0 352.405 -0.973 20 0 FBADRP COCC[NH2+]CCNC(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000418507746 484624761 /nfs/dbraw/zinc/62/47/61/484624761.db2.gz LLAYOOXQYJEALP-QGZVFWFLSA-N 2 0 350.463 -0.059 20 0 FBADRP C[NH+](C)C[C@@](C)(O)CNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418609360 484628295 /nfs/dbraw/zinc/62/82/95/484628295.db2.gz FLMIKROALVPNIE-AAEUAGOBSA-N 2 0 355.405 -0.566 20 0 FBADRP C[NH+](C)C[C@](C)(O)CNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418609361 484628028 /nfs/dbraw/zinc/62/80/28/484628028.db2.gz FLMIKROALVPNIE-DGCLKSJQSA-N 2 0 355.405 -0.566 20 0 FBADRP C[NH+](C)C[C@](C)(O)CNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418609362 484627523 /nfs/dbraw/zinc/62/75/23/484627523.db2.gz FLMIKROALVPNIE-WCQYABFASA-N 2 0 355.405 -0.566 20 0 FBADRP C[NH+](C)C[C@@](C)(O)CNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418609363 484628333 /nfs/dbraw/zinc/62/83/33/484628333.db2.gz FLMIKROALVPNIE-YPMHNXCESA-N 2 0 355.405 -0.566 20 0 FBADRP COC[C@]1(CNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CCC[NH2+]1 ZINC000418610817 484628209 /nfs/dbraw/zinc/62/82/09/484628209.db2.gz HAMYCWNBLDWKJS-GXTWGEPZSA-N 2 0 367.416 -0.110 20 0 FBADRP COC[C@@]1(CNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CCC[NH2+]1 ZINC000418610821 484628282 /nfs/dbraw/zinc/62/82/82/484628282.db2.gz HAMYCWNBLDWKJS-JSGCOSHPSA-N 2 0 367.416 -0.110 20 0 FBADRP COC[C@@]1(CNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CCC[NH2+]1 ZINC000418610822 484628069 /nfs/dbraw/zinc/62/80/69/484628069.db2.gz HAMYCWNBLDWKJS-OCCSQVGLSA-N 2 0 367.416 -0.110 20 0 FBADRP COC[C@]1(CNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CCC[NH2+]1 ZINC000418610823 484628183 /nfs/dbraw/zinc/62/81/83/484628183.db2.gz HAMYCWNBLDWKJS-TZMCWYRMSA-N 2 0 367.416 -0.110 20 0 FBADRP CC[N@H+](CCO)CCNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418611574 484628266 /nfs/dbraw/zinc/62/82/66/484628266.db2.gz HXXUUROFTRPARA-GFCCVEGCSA-N 2 0 355.405 -0.564 20 0 FBADRP CC[N@H+](CCO)CCNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418611575 484628322 /nfs/dbraw/zinc/62/83/22/484628322.db2.gz HXXUUROFTRPARA-LBPRGKRZSA-N 2 0 355.405 -0.564 20 0 FBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418614865 484627466 /nfs/dbraw/zinc/62/74/66/484627466.db2.gz LBOLJECYOOPROZ-NEPJUHHUSA-N 2 0 352.405 -0.975 20 0 FBADRP CN1CC[NH2+]C[C@H]1CNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418614874 484628215 /nfs/dbraw/zinc/62/82/15/484628215.db2.gz LBOLJECYOOPROZ-NWDGAFQWSA-N 2 0 352.405 -0.975 20 0 FBADRP CN1CC[NH2+]C[C@H]1CNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418614877 484627903 /nfs/dbraw/zinc/62/79/03/484627903.db2.gz LBOLJECYOOPROZ-RYUDHWBXSA-N 2 0 352.405 -0.975 20 0 FBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418614879 484627682 /nfs/dbraw/zinc/62/76/82/484627682.db2.gz LBOLJECYOOPROZ-VXGBXAGGSA-N 2 0 352.405 -0.975 20 0 FBADRP COC[C@@]1(CNC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CCC[NH2+]1 ZINC000418627377 484629711 /nfs/dbraw/zinc/62/97/11/484629711.db2.gz AXBDQWJMRKENGS-PBHICJAKSA-N 2 0 355.483 -0.216 20 0 FBADRP COC[C@]1(CNC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CCC[NH2+]1 ZINC000418627378 484628962 /nfs/dbraw/zinc/62/89/62/484628962.db2.gz AXBDQWJMRKENGS-RHSMWYFYSA-N 2 0 355.483 -0.216 20 0 FBADRP COC[C@]1(CNC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CCC[NH2+]1 ZINC000418627379 484629021 /nfs/dbraw/zinc/62/90/21/484629021.db2.gz AXBDQWJMRKENGS-WMLDXEAASA-N 2 0 355.483 -0.216 20 0 FBADRP COC[C@@]1(CNC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CCC[NH2+]1 ZINC000418627380 484629660 /nfs/dbraw/zinc/62/96/60/484629660.db2.gz AXBDQWJMRKENGS-YOEHRIQHSA-N 2 0 355.483 -0.216 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@@]2(COC)CCC[NH2+]2)CC1 ZINC000418638587 484628338 /nfs/dbraw/zinc/62/83/38/484628338.db2.gz OPBJJQIGHNIQLA-GOSISDBHSA-N 2 0 369.510 -0.049 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@]2(COC)CCC[NH2+]2)CC1 ZINC000418638589 484627614 /nfs/dbraw/zinc/62/76/14/484627614.db2.gz OPBJJQIGHNIQLA-SFHVURJKSA-N 2 0 369.510 -0.049 20 0 FBADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418681555 484628796 /nfs/dbraw/zinc/62/87/96/484628796.db2.gz YNSKANZIBRFFOE-VVLHAWIVSA-N 2 0 359.474 -0.208 20 0 FBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000418751313 484634695 /nfs/dbraw/zinc/63/46/95/484634695.db2.gz AERWFFNBYWZASI-KSZLIROESA-N 2 0 361.490 -0.175 20 0 FBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000418751314 484634381 /nfs/dbraw/zinc/63/43/81/484634381.db2.gz AERWFFNBYWZASI-KURKYZTESA-N 2 0 361.490 -0.175 20 0 FBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000418751315 484633991 /nfs/dbraw/zinc/63/39/91/484633991.db2.gz AERWFFNBYWZASI-KZNAEPCWSA-N 2 0 361.490 -0.175 20 0 FBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000418751316 484634461 /nfs/dbraw/zinc/63/44/61/484634461.db2.gz AERWFFNBYWZASI-RCCFBDPRSA-N 2 0 361.490 -0.175 20 0 FBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000418751966 484634193 /nfs/dbraw/zinc/63/41/93/484634193.db2.gz AYHQEJXAOHTCEQ-QZTJIDSGSA-N 2 0 361.490 -0.392 20 0 FBADRP CN1CC[NH2+]C[C@H]1CNC(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000418751967 484634248 /nfs/dbraw/zinc/63/42/48/484634248.db2.gz AYHQEJXAOHTCEQ-ZWKOTPCHSA-N 2 0 361.490 -0.392 20 0 FBADRP CC(C)C[C@H](NC(=O)NC[C@H]1C[NH2+]CCN1C)C(=O)NCC[NH+](C)C ZINC000418752331 484634112 /nfs/dbraw/zinc/63/41/12/484634112.db2.gz BMBCMCRMZFHXKJ-CABCVRRESA-N 2 0 356.515 -0.718 20 0 FBADRP CC(C)C[C@H](NC(=O)NC[C@@H]1C[NH2+]CCN1C)C(=O)NCC[NH+](C)C ZINC000418752332 484634147 /nfs/dbraw/zinc/63/41/47/484634147.db2.gz BMBCMCRMZFHXKJ-GJZGRUSLSA-N 2 0 356.515 -0.718 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000418753618 484634757 /nfs/dbraw/zinc/63/47/57/484634757.db2.gz DEBHSSFJOOPRAK-DLBZAZTESA-N 3 0 354.543 -0.053 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000418753631 484634294 /nfs/dbraw/zinc/63/42/94/484634294.db2.gz DEBHSSFJOOPRAK-IAGOWNOFSA-N 3 0 354.543 -0.053 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000418753633 484634451 /nfs/dbraw/zinc/63/44/51/484634451.db2.gz DEBHSSFJOOPRAK-IRXDYDNUSA-N 3 0 354.543 -0.053 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000418753634 484634664 /nfs/dbraw/zinc/63/46/64/484634664.db2.gz DEBHSSFJOOPRAK-SJORKVTESA-N 3 0 354.543 -0.053 20 0 FBADRP CN1CC[NH2+]C[C@H]1CNC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000418754369 484634624 /nfs/dbraw/zinc/63/46/24/484634624.db2.gz DYNHNWIDTQPPQW-HNNXBMFYSA-N 2 0 354.499 -0.819 20 0 FBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000418754372 484634031 /nfs/dbraw/zinc/63/40/31/484634031.db2.gz DYNHNWIDTQPPQW-OAHLLOKOSA-N 2 0 354.499 -0.819 20 0 FBADRP CN1CC[NH2+]C[C@H]1CNC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000418756437 484632553 /nfs/dbraw/zinc/63/25/53/484632553.db2.gz GUCOMPQOXYPXGI-HKUYNNGSSA-N 2 0 361.490 -0.174 20 0 FBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000418756438 484633144 /nfs/dbraw/zinc/63/31/44/484633144.db2.gz GUCOMPQOXYPXGI-IEBWSBKVSA-N 2 0 361.490 -0.174 20 0 FBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000418756439 484633972 /nfs/dbraw/zinc/63/39/72/484633972.db2.gz GUCOMPQOXYPXGI-MJGOQNOKSA-N 2 0 361.490 -0.174 20 0 FBADRP CN1CC[NH2+]C[C@H]1CNC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000418756440 484634858 /nfs/dbraw/zinc/63/48/58/484634858.db2.gz GUCOMPQOXYPXGI-PKOBYXMFSA-N 2 0 361.490 -0.174 20 0 FBADRP CCCN(CCN1CC[NH+](CC)CC1)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000418759894 484634528 /nfs/dbraw/zinc/63/45/28/484634528.db2.gz JTEFRUBMABIMHN-KRWDZBQOSA-N 2 0 354.543 -0.051 20 0 FBADRP CCCN(CCN1CC[NH+](CC)CC1)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000418759895 484634310 /nfs/dbraw/zinc/63/43/10/484634310.db2.gz JTEFRUBMABIMHN-QGZVFWFLSA-N 2 0 354.543 -0.051 20 0 FBADRP CC(C)C[C@H](NC(=O)NC[C@H]1C[NH2+]CCCO1)C(=O)NCC[NH+](C)C ZINC000418786426 484640890 /nfs/dbraw/zinc/64/08/90/484640890.db2.gz IWXZGDHHTDELDL-CABCVRRESA-N 2 0 357.499 -0.243 20 0 FBADRP CC(C)C[C@H](NC(=O)NC[C@@H]1C[NH2+]CCCO1)C(=O)NCC[NH+](C)C ZINC000418786434 484640785 /nfs/dbraw/zinc/64/07/85/484640785.db2.gz IWXZGDHHTDELDL-GJZGRUSLSA-N 2 0 357.499 -0.243 20 0 FBADRP [NH3+]CCN(CCO)C(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000418793537 484642593 /nfs/dbraw/zinc/64/25/93/484642593.db2.gz AKJHXNOMPAOLMT-UHFFFAOYSA-N 2 0 370.494 -0.835 20 0 FBADRP O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)N1CC[NH2+]CC1 ZINC000418796937 484642453 /nfs/dbraw/zinc/64/24/53/484642453.db2.gz FJICLVMYWUDIRK-UHFFFAOYSA-N 2 0 352.479 -0.183 20 0 FBADRP O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000418799460 484643762 /nfs/dbraw/zinc/64/37/62/484643762.db2.gz HZOCFRFXNXLQGK-HNNXBMFYSA-N 2 0 352.479 -0.137 20 0 FBADRP O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000418799463 484643884 /nfs/dbraw/zinc/64/38/84/484643884.db2.gz HZOCFRFXNXLQGK-OAHLLOKOSA-N 2 0 352.479 -0.137 20 0 FBADRP Cc1ccc([C@H](CNC(=O)C(=O)NCCN2CC[NH2+]CC2)[NH+](C)C)cc1 ZINC000418803952 484645336 /nfs/dbraw/zinc/64/53/36/484645336.db2.gz AMGSUSWHNRAODI-KRWDZBQOSA-N 2 0 361.490 -0.265 20 0 FBADRP Cc1ccc([C@@H](CNC(=O)C(=O)NCCN2CC[NH2+]CC2)[NH+](C)C)cc1 ZINC000418803955 484644809 /nfs/dbraw/zinc/64/48/09/484644809.db2.gz AMGSUSWHNRAODI-QGZVFWFLSA-N 2 0 361.490 -0.265 20 0 FBADRP O=C(CNC(=O)NC[C@@H]1C[NH2+]CCCO1)NCC[NH+]1CCCCCC1 ZINC000418805016 484645493 /nfs/dbraw/zinc/64/54/93/484645493.db2.gz ZRIFJCCZDRZFKG-HNNXBMFYSA-N 2 0 355.483 -0.344 20 0 FBADRP O=C(CNC(=O)NC[C@H]1C[NH2+]CCCO1)NCC[NH+]1CCCCCC1 ZINC000418805019 484644884 /nfs/dbraw/zinc/64/48/84/484644884.db2.gz ZRIFJCCZDRZFKG-OAHLLOKOSA-N 2 0 355.483 -0.344 20 0 FBADRP C[C@@H](C[NH3+])CNC(=O)C(=O)N[C@H](Cc1ccccc1)CN1CCOCC1 ZINC000418808194 484646337 /nfs/dbraw/zinc/64/63/37/484646337.db2.gz QSOMVQNVZPQSAI-DOTOQJQBSA-N 2 0 362.474 -0.243 20 0 FBADRP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@H](Cc1ccccc1)CN1CCOCC1 ZINC000418808196 484646715 /nfs/dbraw/zinc/64/67/15/484646715.db2.gz QSOMVQNVZPQSAI-NVXWUHKLSA-N 2 0 362.474 -0.243 20 0 FBADRP C[C@@H](C[NH3+])CNC(=O)C(=O)N[C@@H](Cc1ccccc1)CN1CCOCC1 ZINC000418808197 484646633 /nfs/dbraw/zinc/64/66/33/484646633.db2.gz QSOMVQNVZPQSAI-RDJZCZTQSA-N 2 0 362.474 -0.243 20 0 FBADRP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@@H](Cc1ccccc1)CN1CCOCC1 ZINC000418808198 484647062 /nfs/dbraw/zinc/64/70/62/484647062.db2.gz QSOMVQNVZPQSAI-WBVHZDCISA-N 2 0 362.474 -0.243 20 0 FBADRP C[C@@]1(CNC(=O)C(=O)N(CC[NH3+])CCO)CCC[N@@H+]1Cc1ccccc1 ZINC000418809551 484645714 /nfs/dbraw/zinc/64/57/14/484645714.db2.gz GLHKSBZRTMMNMU-IBGZPJMESA-N 2 0 362.474 -0.063 20 0 FBADRP C[C@]1(CNC(=O)C(=O)N(CC[NH3+])CCO)CCC[N@@H+]1Cc1ccccc1 ZINC000418809552 484644741 /nfs/dbraw/zinc/64/47/41/484644741.db2.gz GLHKSBZRTMMNMU-LJQANCHMSA-N 2 0 362.474 -0.063 20 0 FBADRP [NH3+][C@H]1CCN(C(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000418811310 484646952 /nfs/dbraw/zinc/64/69/52/484646952.db2.gz VUWYCJPOZUTWIL-HNNXBMFYSA-N 2 0 352.479 -0.055 20 0 FBADRP [NH3+][C@@H]1CCN(C(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000418811311 484646765 /nfs/dbraw/zinc/64/67/65/484646765.db2.gz VUWYCJPOZUTWIL-OAHLLOKOSA-N 2 0 352.479 -0.055 20 0 FBADRP COc1ccc([C@H](CNC(=O)C(=O)N2CC[C@H]([NH3+])C2)[NH+](C)C)cc1OC ZINC000418823749 484650346 /nfs/dbraw/zinc/65/03/46/484650346.db2.gz CJCMTSVQRNCNIU-KBPBESRZSA-N 2 0 364.446 -0.018 20 0 FBADRP COc1ccc([C@H](CNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)[NH+](C)C)cc1OC ZINC000418823766 484649677 /nfs/dbraw/zinc/64/96/77/484649677.db2.gz CJCMTSVQRNCNIU-KGLIPLIRSA-N 2 0 364.446 -0.018 20 0 FBADRP COc1ccc([C@@H](CNC(=O)C(=O)N2CC[C@H]([NH3+])C2)[NH+](C)C)cc1OC ZINC000418823768 484649328 /nfs/dbraw/zinc/64/93/28/484649328.db2.gz CJCMTSVQRNCNIU-UONOGXRCSA-N 2 0 364.446 -0.018 20 0 FBADRP COc1ccc([C@@H](CNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)[NH+](C)C)cc1OC ZINC000418823770 484649771 /nfs/dbraw/zinc/64/97/71/484649771.db2.gz CJCMTSVQRNCNIU-ZIAGYGMSSA-N 2 0 364.446 -0.018 20 0 FBADRP C[NH+](C)[C@H](CNC(=O)C(=O)NCCN1CC[NH2+]CC1)c1cccs1 ZINC000418824871 484651582 /nfs/dbraw/zinc/65/15/82/484651582.db2.gz DHOJJGLEGUWYEM-CYBMUJFWSA-N 2 0 353.492 -0.512 20 0 FBADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NCCN1CC[NH2+]CC1)c1cccs1 ZINC000418824872 484651939 /nfs/dbraw/zinc/65/19/39/484651939.db2.gz DHOJJGLEGUWYEM-ZDUSSCGKSA-N 2 0 353.492 -0.512 20 0 FBADRP COc1ccc([C@H](CNC(=O)C(=O)N[C@@H](C)C[NH3+])[NH+](C)C)cc1OC ZINC000418825946 484651922 /nfs/dbraw/zinc/65/19/22/484651922.db2.gz FMQJZGUISGNURJ-AAEUAGOBSA-N 2 0 352.435 -0.114 20 0 FBADRP COc1ccc([C@@H](CNC(=O)C(=O)N[C@H](C)C[NH3+])[NH+](C)C)cc1OC ZINC000418825953 484651670 /nfs/dbraw/zinc/65/16/70/484651670.db2.gz FMQJZGUISGNURJ-DGCLKSJQSA-N 2 0 352.435 -0.114 20 0 FBADRP COc1ccc([C@@H](CNC(=O)C(=O)N[C@@H](C)C[NH3+])[NH+](C)C)cc1OC ZINC000418825957 484651629 /nfs/dbraw/zinc/65/16/29/484651629.db2.gz FMQJZGUISGNURJ-WCQYABFASA-N 2 0 352.435 -0.114 20 0 FBADRP COc1ccc([C@H](CNC(=O)C(=O)N[C@H](C)C[NH3+])[NH+](C)C)cc1OC ZINC000418825962 484650833 /nfs/dbraw/zinc/65/08/33/484650833.db2.gz FMQJZGUISGNURJ-YPMHNXCESA-N 2 0 352.435 -0.114 20 0 FBADRP COc1ccc([C@H](CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)[NH+](C)C)cc1OC ZINC000418828749 484652006 /nfs/dbraw/zinc/65/20/06/484652006.db2.gz HZIBSXLNSRIBDY-KBPBESRZSA-N 2 0 364.446 -0.099 20 0 FBADRP COc1ccc([C@H](CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)[NH+](C)C)cc1OC ZINC000418828752 484651818 /nfs/dbraw/zinc/65/18/18/484651818.db2.gz HZIBSXLNSRIBDY-KGLIPLIRSA-N 2 0 364.446 -0.099 20 0 FBADRP COc1ccc([C@@H](CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)[NH+](C)C)cc1OC ZINC000418828753 484651232 /nfs/dbraw/zinc/65/12/32/484651232.db2.gz HZIBSXLNSRIBDY-UONOGXRCSA-N 2 0 364.446 -0.099 20 0 FBADRP COc1ccc([C@@H](CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)[NH+](C)C)cc1OC ZINC000418828757 484651199 /nfs/dbraw/zinc/65/11/99/484651199.db2.gz HZIBSXLNSRIBDY-ZIAGYGMSSA-N 2 0 364.446 -0.099 20 0 FBADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CCCC1 ZINC000418829548 484653015 /nfs/dbraw/zinc/65/30/15/484653015.db2.gz HEALEARNZZVDSF-AWEZNQCLSA-N 2 0 367.494 -0.710 20 0 FBADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CCCC1 ZINC000418829549 484653093 /nfs/dbraw/zinc/65/30/93/484653093.db2.gz HEALEARNZZVDSF-CQSZACIVSA-N 2 0 367.494 -0.710 20 0 FBADRP COc1ccc([C@@H](CNC(=O)C(=O)NCCC[NH3+])[NH+](C)C)cc1OC ZINC000418830135 484652579 /nfs/dbraw/zinc/65/25/79/484652579.db2.gz JJRHZSVMAIFCTF-CYBMUJFWSA-N 2 0 352.435 -0.112 20 0 FBADRP COc1ccc([C@H](CNC(=O)C(=O)NCCC[NH3+])[NH+](C)C)cc1OC ZINC000418830136 484652808 /nfs/dbraw/zinc/65/28/08/484652808.db2.gz JJRHZSVMAIFCTF-ZDUSSCGKSA-N 2 0 352.435 -0.112 20 0 FBADRP C[NH2+]CCNC(=O)C(=O)NC[C@H](c1ccc(OC)c(OC)c1)[NH+](C)C ZINC000418830693 484652794 /nfs/dbraw/zinc/65/27/94/484652794.db2.gz JRODJRILJWEKJG-CYBMUJFWSA-N 2 0 352.435 -0.242 20 0 FBADRP C[NH2+]CCNC(=O)C(=O)NC[C@@H](c1ccc(OC)c(OC)c1)[NH+](C)C ZINC000418830694 484652932 /nfs/dbraw/zinc/65/29/32/484652932.db2.gz JRODJRILJWEKJG-ZDUSSCGKSA-N 2 0 352.435 -0.242 20 0 FBADRP NCC(F)(F)CNC(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000418830739 484652733 /nfs/dbraw/zinc/65/27/33/484652733.db2.gz JWTZOGMFISTTKQ-AWEZNQCLSA-N 2 0 370.400 -0.286 20 0 FBADRP NCC(F)(F)CNC(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000418830740 484652945 /nfs/dbraw/zinc/65/29/45/484652945.db2.gz JWTZOGMFISTTKQ-CQSZACIVSA-N 2 0 370.400 -0.286 20 0 FBADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)Cc1ccccc1 ZINC000418832583 484652663 /nfs/dbraw/zinc/65/26/63/484652663.db2.gz HLIWKFFHXFGMSH-DLBZAZTESA-N 2 0 362.474 -0.148 20 0 FBADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)Cc1ccccc1 ZINC000418832585 484653317 /nfs/dbraw/zinc/65/33/17/484653317.db2.gz HLIWKFFHXFGMSH-IAGOWNOFSA-N 2 0 362.474 -0.148 20 0 FBADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)Cc1ccccc1 ZINC000418832587 484653334 /nfs/dbraw/zinc/65/33/34/484653334.db2.gz HLIWKFFHXFGMSH-IRXDYDNUSA-N 2 0 362.474 -0.148 20 0 FBADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)Cc1ccccc1 ZINC000418832588 484652751 /nfs/dbraw/zinc/65/27/51/484652751.db2.gz HLIWKFFHXFGMSH-SJORKVTESA-N 2 0 362.474 -0.148 20 0 FBADRP CC(C)([NH3+])CNC(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000418837876 484656296 /nfs/dbraw/zinc/65/62/96/484656296.db2.gz BGVVOSYLBFRKFT-UHFFFAOYSA-N 2 0 361.490 -0.226 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CC[NH2+]1 ZINC000418837878 484656085 /nfs/dbraw/zinc/65/60/85/484656085.db2.gz BHXTVTJBHDRTHB-KRWDZBQOSA-N 2 0 373.501 -0.259 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CC[NH2+]1 ZINC000418837879 484656357 /nfs/dbraw/zinc/65/63/57/484656357.db2.gz BHXTVTJBHDRTHB-QGZVFWFLSA-N 2 0 373.501 -0.259 20 0 FBADRP C[NH2+]CCN(C)C(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000418837918 483419478 /nfs/dbraw/zinc/41/94/78/483419478.db2.gz BNUWBMWPBIQOJR-UHFFFAOYSA-N 2 0 361.490 -0.402 20 0 FBADRP COc1ccc([C@@H](CNC(=O)C(=O)N(C)CC[NH3+])[NH+](C)C)cc1OC ZINC000418837979 484657214 /nfs/dbraw/zinc/65/72/14/484657214.db2.gz UOWCCDXLHXCDMV-CYBMUJFWSA-N 2 0 352.435 -0.160 20 0 FBADRP COc1ccc([C@H](CNC(=O)C(=O)N(C)CC[NH3+])[NH+](C)C)cc1OC ZINC000418837980 484656736 /nfs/dbraw/zinc/65/67/36/484656736.db2.gz UOWCCDXLHXCDMV-ZDUSSCGKSA-N 2 0 352.435 -0.160 20 0 FBADRP [NH3+]C[C@@H](NC(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000418838635 484657501 /nfs/dbraw/zinc/65/75/01/484657501.db2.gz CIRXOTXGFPGSMG-GOSISDBHSA-N 2 0 373.501 -0.226 20 0 FBADRP [NH3+]C[C@H](NC(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000418838637 484657031 /nfs/dbraw/zinc/65/70/31/484657031.db2.gz CIRXOTXGFPGSMG-SFHVURJKSA-N 2 0 373.501 -0.226 20 0 FBADRP [NH3+]C1CCN(C(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000418838670 484656975 /nfs/dbraw/zinc/65/69/75/484656975.db2.gz CNPOSXKOYAXRDP-UHFFFAOYSA-N 2 0 373.501 -0.130 20 0 FBADRP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)NC1CC[NH2+]CC1 ZINC000418840061 484657463 /nfs/dbraw/zinc/65/74/63/484657463.db2.gz DZOOHZPTSAQIDA-UHFFFAOYSA-N 2 0 373.501 -0.211 20 0 FBADRP C[NH2+]CCCNC(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000418840543 484658300 /nfs/dbraw/zinc/65/83/00/484658300.db2.gz FKMPWUXZOVSRPE-UHFFFAOYSA-N 2 0 361.490 -0.354 20 0 FBADRP COc1cccc([C@H](CNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)[NH+](C)C)c1 ZINC000418841600 484658691 /nfs/dbraw/zinc/65/86/91/484658691.db2.gz GUXYKCJLAPQXJN-CVEARBPZSA-N 2 0 364.446 -0.481 20 0 FBADRP COc1cccc([C@H](CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)[NH+](C)C)c1 ZINC000418841601 484658925 /nfs/dbraw/zinc/65/89/25/484658925.db2.gz GUXYKCJLAPQXJN-HOTGVXAUSA-N 2 0 364.446 -0.481 20 0 FBADRP COc1cccc([C@@H](CNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)[NH+](C)C)c1 ZINC000418841602 484658845 /nfs/dbraw/zinc/65/88/45/484658845.db2.gz GUXYKCJLAPQXJN-HZPDHXFCSA-N 2 0 364.446 -0.481 20 0 FBADRP COc1cccc([C@@H](CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)[NH+](C)C)c1 ZINC000418841603 484658315 /nfs/dbraw/zinc/65/83/15/484658315.db2.gz GUXYKCJLAPQXJN-JKSUJKDBSA-N 2 0 364.446 -0.481 20 0 FBADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000418842305 484659175 /nfs/dbraw/zinc/65/91/75/484659175.db2.gz BIHOVKRDAUWKMF-KRWDZBQOSA-N 2 0 361.490 -0.703 20 0 FBADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000418842308 484658133 /nfs/dbraw/zinc/65/81/33/484658133.db2.gz BIHOVKRDAUWKMF-QGZVFWFLSA-N 2 0 361.490 -0.703 20 0 FBADRP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418847124 484659162 /nfs/dbraw/zinc/65/91/62/484659162.db2.gz HMMOOWMPKNIFPS-GOSISDBHSA-N 2 0 373.501 -0.211 20 0 FBADRP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000418847127 484659061 /nfs/dbraw/zinc/65/90/61/484659061.db2.gz HMMOOWMPKNIFPS-SFHVURJKSA-N 2 0 373.501 -0.211 20 0 FBADRP COc1cccc([C@H](CNC(=O)C(=O)N(CC[NH3+])CCO)[NH+](C)C)c1 ZINC000418847257 484661075 /nfs/dbraw/zinc/66/10/75/484661075.db2.gz HSALIGXNFPKEGQ-HNNXBMFYSA-N 2 0 352.435 -0.806 20 0 FBADRP COc1cccc([C@@H](CNC(=O)C(=O)N(CC[NH3+])CCO)[NH+](C)C)c1 ZINC000418847259 484660930 /nfs/dbraw/zinc/66/09/30/484660930.db2.gz HSALIGXNFPKEGQ-OAHLLOKOSA-N 2 0 352.435 -0.806 20 0 FBADRP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)Cc1ccccc1 ZINC000418847482 484661032 /nfs/dbraw/zinc/66/10/32/484661032.db2.gz JGZSRFMHKJJHEJ-DLBZAZTESA-N 2 0 362.474 -0.230 20 0 FBADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)Cc1ccccc1 ZINC000418847483 484661539 /nfs/dbraw/zinc/66/15/39/484661539.db2.gz JGZSRFMHKJJHEJ-IAGOWNOFSA-N 2 0 362.474 -0.230 20 0 FBADRP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)Cc1ccccc1 ZINC000418847484 484661552 /nfs/dbraw/zinc/66/15/52/484661552.db2.gz JGZSRFMHKJJHEJ-IRXDYDNUSA-N 2 0 362.474 -0.230 20 0 FBADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)Cc1ccccc1 ZINC000418847485 484661270 /nfs/dbraw/zinc/66/12/70/484661270.db2.gz JGZSRFMHKJJHEJ-SJORKVTESA-N 2 0 362.474 -0.230 20 0 FBADRP C[NH+](C)[C@H](CNC(=O)C(=O)NCCN1CC[NH2+]CC1)Cc1ccccc1 ZINC000418857623 484666874 /nfs/dbraw/zinc/66/68/74/484666874.db2.gz ZOISDMJBWMIBON-KRWDZBQOSA-N 2 0 361.490 -0.703 20 0 FBADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NCCN1CC[NH2+]CC1)Cc1ccccc1 ZINC000418857710 484665629 /nfs/dbraw/zinc/66/56/29/484665629.db2.gz ZOISDMJBWMIBON-QGZVFWFLSA-N 2 0 361.490 -0.703 20 0 FBADRP [NH3+][C@H](CNC(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000418858035 484666341 /nfs/dbraw/zinc/66/63/41/484666341.db2.gz IJCASOQHNWNCAO-GOSISDBHSA-N 2 0 373.501 -0.226 20 0 FBADRP [NH3+][C@@H](CNC(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000418858036 484666443 /nfs/dbraw/zinc/66/64/43/484666443.db2.gz IJCASOQHNWNCAO-SFHVURJKSA-N 2 0 373.501 -0.226 20 0 FBADRP CCc1ccc([C@H](CNC(=O)C(=O)N(CC[NH3+])CCO)[NH+](C)C)cc1 ZINC000418858107 484665937 /nfs/dbraw/zinc/66/59/37/484665937.db2.gz INEDVFKXKHCFHU-INIZCTEOSA-N 2 0 350.463 -0.253 20 0 FBADRP CCc1ccc([C@@H](CNC(=O)C(=O)N(CC[NH3+])CCO)[NH+](C)C)cc1 ZINC000418858108 484666744 /nfs/dbraw/zinc/66/67/44/484666744.db2.gz INEDVFKXKHCFHU-MRXNPFEDSA-N 2 0 350.463 -0.253 20 0 FBADRP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000418858125 484665541 /nfs/dbraw/zinc/66/55/41/484665541.db2.gz IOUVEXSZLBXCAF-GOSISDBHSA-N 2 0 373.501 -0.211 20 0 FBADRP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418858126 484666088 /nfs/dbraw/zinc/66/60/88/484666088.db2.gz IOUVEXSZLBXCAF-SFHVURJKSA-N 2 0 373.501 -0.211 20 0 FBADRP [NH3+]CCCCNC(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000418858285 484666638 /nfs/dbraw/zinc/66/66/38/484666638.db2.gz IYOAZSYAOWMMOX-UHFFFAOYSA-N 2 0 361.490 -0.225 20 0 FBADRP [NH3+][C@@H]1CCCN(C(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000418858330 484666022 /nfs/dbraw/zinc/66/60/22/484666022.db2.gz JEXYZHNHMDGDKJ-GOSISDBHSA-N 2 0 373.501 -0.130 20 0 FBADRP [NH3+][C@H]1CCCN(C(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000418858331 484666471 /nfs/dbraw/zinc/66/64/71/484666471.db2.gz JEXYZHNHMDGDKJ-SFHVURJKSA-N 2 0 373.501 -0.130 20 0 FBADRP O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418858518 484666650 /nfs/dbraw/zinc/66/66/50/484666650.db2.gz JSMOGDGHKAIXAD-DLBZAZTESA-N 2 0 360.458 -0.128 20 0 FBADRP O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418858519 484665868 /nfs/dbraw/zinc/66/58/68/484665868.db2.gz JSMOGDGHKAIXAD-IAGOWNOFSA-N 2 0 360.458 -0.128 20 0 FBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418858520 484665756 /nfs/dbraw/zinc/66/57/56/484665756.db2.gz JSMOGDGHKAIXAD-IRXDYDNUSA-N 2 0 360.458 -0.128 20 0 FBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418858521 484666058 /nfs/dbraw/zinc/66/60/58/484666058.db2.gz JSMOGDGHKAIXAD-SJORKVTESA-N 2 0 360.458 -0.128 20 0 FBADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000418858828 484667516 /nfs/dbraw/zinc/66/75/16/484667516.db2.gz KCUCDIWRMIYIBW-KRWDZBQOSA-N 2 0 373.501 -0.259 20 0 FBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000418858829 484668040 /nfs/dbraw/zinc/66/80/40/484668040.db2.gz KCUCDIWRMIYIBW-QGZVFWFLSA-N 2 0 373.501 -0.259 20 0 FBADRP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000418859349 484667687 /nfs/dbraw/zinc/66/76/87/484667687.db2.gz KRTWYCAKYJJNJH-KRWDZBQOSA-N 2 0 359.474 -0.602 20 0 FBADRP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000418859356 484667473 /nfs/dbraw/zinc/66/74/73/484667473.db2.gz KRTWYCAKYJJNJH-QGZVFWFLSA-N 2 0 359.474 -0.602 20 0 FBADRP C[C@@H](C[NH3+])CNC(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000418859807 484667925 /nfs/dbraw/zinc/66/79/25/484667925.db2.gz KZZHKPXCSUOKLS-INIZCTEOSA-N 2 0 361.490 -0.369 20 0 FBADRP C[C@H](C[NH3+])CNC(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000418859808 484667675 /nfs/dbraw/zinc/66/76/75/484667675.db2.gz KZZHKPXCSUOKLS-MRXNPFEDSA-N 2 0 361.490 -0.369 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C[C@H]1[NH3+] ZINC000418859843 484668255 /nfs/dbraw/zinc/66/82/55/484668255.db2.gz LFWKXESYKTUHPD-SJLPKXTDSA-N 2 0 373.501 -0.274 20 0 FBADRP CC1CC[NH+](C2CCC(NC(=O)C(=O)N(CC[NH3+])CCO)CC2)CC1 ZINC000418860045 484668464 /nfs/dbraw/zinc/66/84/64/484668464.db2.gz BQAREVGAEASQSG-UHFFFAOYSA-N 2 0 354.495 -0.075 20 0 FBADRP CC[NH2+]CCNC(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000418861490 484668343 /nfs/dbraw/zinc/66/83/43/484668343.db2.gz NCKDVYQJPRHSPN-UHFFFAOYSA-N 2 0 361.490 -0.354 20 0 FBADRP [NH3+]C[C@H]1CCN(C(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000418861548 484669970 /nfs/dbraw/zinc/66/99/70/484669970.db2.gz NIPGHJUNSXKIEV-GOSISDBHSA-N 2 0 373.501 -0.272 20 0 FBADRP [NH3+]C[C@@H]1CCN(C(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000418861549 484669897 /nfs/dbraw/zinc/66/98/97/484669897.db2.gz NIPGHJUNSXKIEV-SFHVURJKSA-N 2 0 373.501 -0.272 20 0 FBADRP [NH3+][C@H]1CCN(C(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000418862407 484670127 /nfs/dbraw/zinc/67/01/27/484670127.db2.gz OJQBNLDOKGQOIU-KRWDZBQOSA-N 2 0 359.474 -0.520 20 0 FBADRP [NH3+][C@@H]1CCN(C(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000418862410 484669262 /nfs/dbraw/zinc/66/92/62/484669262.db2.gz OJQBNLDOKGQOIU-QGZVFWFLSA-N 2 0 359.474 -0.520 20 0 FBADRP [NH3+]C1(CNC(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CCC1 ZINC000418862767 484669850 /nfs/dbraw/zinc/66/98/50/484669850.db2.gz OMJJLFPMUXOMDL-UHFFFAOYSA-N 2 0 373.501 -0.082 20 0 FBADRP O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418864509 484671725 /nfs/dbraw/zinc/67/17/25/484671725.db2.gz QVBLTKMEIIBFKL-KRWDZBQOSA-N 2 0 359.474 -0.602 20 0 FBADRP O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418864511 484671845 /nfs/dbraw/zinc/67/18/45/484671845.db2.gz QVBLTKMEIIBFKL-QGZVFWFLSA-N 2 0 359.474 -0.602 20 0 FBADRP [NH3+]CCN(CCO)C(=O)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000418865795 484669346 /nfs/dbraw/zinc/66/93/46/484669346.db2.gz SGTFZIMXAQQBJF-CYBMUJFWSA-N 2 0 354.476 -0.219 20 0 FBADRP [NH3+]CCN(CCO)C(=O)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000418865827 484669741 /nfs/dbraw/zinc/66/97/41/484669741.db2.gz SGTFZIMXAQQBJF-ZDUSSCGKSA-N 2 0 354.476 -0.219 20 0 FBADRP O=C(NCCN1CC[NH2+]CC1)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000418865950 484669766 /nfs/dbraw/zinc/66/97/66/484669766.db2.gz SIWWUJNHEWFRSV-GOSISDBHSA-N 2 0 373.501 -0.039 20 0 FBADRP O=C(NCCN1CC[NH2+]CC1)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000418865957 484670323 /nfs/dbraw/zinc/67/03/23/484670323.db2.gz SIWWUJNHEWFRSV-SFHVURJKSA-N 2 0 373.501 -0.039 20 0 FBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000418866764 484671498 /nfs/dbraw/zinc/67/14/98/484671498.db2.gz TUGFYKKIURHEMT-GOSISDBHSA-N 2 0 373.501 -0.259 20 0 FBADRP C[NH2+][C@H]1CCN(C(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000418866765 484671703 /nfs/dbraw/zinc/67/17/03/484671703.db2.gz TUGFYKKIURHEMT-SFHVURJKSA-N 2 0 373.501 -0.259 20 0 FBADRP COc1cccc([C@H](CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)[NH+](C)C)c1 ZINC000418867033 484671808 /nfs/dbraw/zinc/67/18/08/484671808.db2.gz UFDMJHUBWMLFSQ-CVEARBPZSA-N 2 0 364.446 -0.400 20 0 FBADRP COc1cccc([C@H](CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)[NH+](C)C)c1 ZINC000418867034 484671471 /nfs/dbraw/zinc/67/14/71/484671471.db2.gz UFDMJHUBWMLFSQ-HOTGVXAUSA-N 2 0 364.446 -0.400 20 0 FBADRP COc1cccc([C@@H](CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)[NH+](C)C)c1 ZINC000418867035 484670739 /nfs/dbraw/zinc/67/07/39/484670739.db2.gz UFDMJHUBWMLFSQ-HZPDHXFCSA-N 2 0 364.446 -0.400 20 0 FBADRP COc1cccc([C@@H](CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)[NH+](C)C)c1 ZINC000418867036 484671405 /nfs/dbraw/zinc/67/14/05/484671405.db2.gz UFDMJHUBWMLFSQ-JKSUJKDBSA-N 2 0 364.446 -0.400 20 0 FBADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CCCO1 ZINC000418868413 484672957 /nfs/dbraw/zinc/67/29/57/484672957.db2.gz WDMBAMDSFSQCSK-DLBZAZTESA-N 2 0 360.458 -0.047 20 0 FBADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCCO1 ZINC000418868414 484672720 /nfs/dbraw/zinc/67/27/20/484672720.db2.gz WDMBAMDSFSQCSK-IAGOWNOFSA-N 2 0 360.458 -0.047 20 0 FBADRP [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CCCO1 ZINC000418868415 484673068 /nfs/dbraw/zinc/67/30/68/484673068.db2.gz WDMBAMDSFSQCSK-IRXDYDNUSA-N 2 0 360.458 -0.047 20 0 FBADRP [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCCO1 ZINC000418868416 484673675 /nfs/dbraw/zinc/67/36/75/484673675.db2.gz WDMBAMDSFSQCSK-SJORKVTESA-N 2 0 360.458 -0.047 20 0 FBADRP C[C@@H](CC[NH3+])NC(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000418871062 484672411 /nfs/dbraw/zinc/67/24/11/484672411.db2.gz ZIKZURBFBAQSFM-INIZCTEOSA-N 2 0 361.490 -0.226 20 0 FBADRP C[C@H](CC[NH3+])NC(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000418871063 484673219 /nfs/dbraw/zinc/67/32/19/484673219.db2.gz ZIKZURBFBAQSFM-MRXNPFEDSA-N 2 0 361.490 -0.226 20 0 FBADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000418871105 484673391 /nfs/dbraw/zinc/67/33/91/484673391.db2.gz ZNLYVOPYJKVWLQ-INIZCTEOSA-N 2 0 361.490 -0.274 20 0 FBADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000418871106 484672326 /nfs/dbraw/zinc/67/23/26/484672326.db2.gz ZNLYVOPYJKVWLQ-MRXNPFEDSA-N 2 0 361.490 -0.274 20 0 FBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000418879392 484675964 /nfs/dbraw/zinc/67/59/64/484675964.db2.gz NHXPOLZCDIOFKF-PBHICJAKSA-N 2 0 360.458 -0.310 20 0 FBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000418879399 484676114 /nfs/dbraw/zinc/67/61/14/484676114.db2.gz NHXPOLZCDIOFKF-RHSMWYFYSA-N 2 0 360.458 -0.310 20 0 FBADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000418879402 484676766 /nfs/dbraw/zinc/67/67/66/484676766.db2.gz NHXPOLZCDIOFKF-WMLDXEAASA-N 2 0 360.458 -0.310 20 0 FBADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000418879409 484676721 /nfs/dbraw/zinc/67/67/21/484676721.db2.gz NHXPOLZCDIOFKF-YOEHRIQHSA-N 2 0 360.458 -0.310 20 0 FBADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000418880172 484678274 /nfs/dbraw/zinc/67/82/74/484678274.db2.gz UWFXKRQJAAEQPR-DLBZAZTESA-N 2 0 362.474 -0.230 20 0 FBADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000418880174 484677370 /nfs/dbraw/zinc/67/73/70/484677370.db2.gz UWFXKRQJAAEQPR-IAGOWNOFSA-N 2 0 362.474 -0.230 20 0 FBADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000418880175 484677975 /nfs/dbraw/zinc/67/79/75/484677975.db2.gz UWFXKRQJAAEQPR-IRXDYDNUSA-N 2 0 362.474 -0.230 20 0 FBADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000418880176 484677845 /nfs/dbraw/zinc/67/78/45/484677845.db2.gz UWFXKRQJAAEQPR-SJORKVTESA-N 2 0 362.474 -0.230 20 0 FBADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000418882352 484679345 /nfs/dbraw/zinc/67/93/45/484679345.db2.gz SVJNLQXBLNGPQW-ILXRZTDVSA-N 2 0 370.494 -0.167 20 0 FBADRP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000418882353 484679764 /nfs/dbraw/zinc/67/97/64/484679764.db2.gz SVJNLQXBLNGPQW-KFWWJZLASA-N 2 0 370.494 -0.167 20 0 FBADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000418882354 484679105 /nfs/dbraw/zinc/67/91/05/484679105.db2.gz SVJNLQXBLNGPQW-QLFBSQMISA-N 2 0 370.494 -0.167 20 0 FBADRP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000418882355 484679193 /nfs/dbraw/zinc/67/91/93/484679193.db2.gz SVJNLQXBLNGPQW-RBSFLKMASA-N 2 0 370.494 -0.167 20 0 FBADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000418882410 484679793 /nfs/dbraw/zinc/67/97/93/484679793.db2.gz YUTAFJWGULERIN-DLBZAZTESA-N 2 0 362.474 -0.148 20 0 FBADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000418882412 484679626 /nfs/dbraw/zinc/67/96/26/484679626.db2.gz YUTAFJWGULERIN-IAGOWNOFSA-N 2 0 362.474 -0.148 20 0 FBADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000418882414 484679331 /nfs/dbraw/zinc/67/93/31/484679331.db2.gz YUTAFJWGULERIN-IRXDYDNUSA-N 2 0 362.474 -0.148 20 0 FBADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000418882416 484679810 /nfs/dbraw/zinc/67/98/10/484679810.db2.gz YUTAFJWGULERIN-SJORKVTESA-N 2 0 362.474 -0.148 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)CC[NH2+]1 ZINC000418884575 484681276 /nfs/dbraw/zinc/68/12/76/484681276.db2.gz WVZSXQZAZNZPEA-PBHICJAKSA-N 2 0 360.458 -0.310 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CC[NH2+]1 ZINC000418884576 484680317 /nfs/dbraw/zinc/68/03/17/484680317.db2.gz WVZSXQZAZNZPEA-RHSMWYFYSA-N 2 0 360.458 -0.310 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CC[NH2+]1 ZINC000418884578 484681177 /nfs/dbraw/zinc/68/11/77/484681177.db2.gz WVZSXQZAZNZPEA-WMLDXEAASA-N 2 0 360.458 -0.310 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)CC[NH2+]1 ZINC000418884583 484680390 /nfs/dbraw/zinc/68/03/90/484680390.db2.gz WVZSXQZAZNZPEA-YOEHRIQHSA-N 2 0 360.458 -0.310 20 0 FBADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CCCO1 ZINC000418885165 484681556 /nfs/dbraw/zinc/68/15/56/484681556.db2.gz XXLLRAZYUAZLGM-HRCADAONSA-N 2 0 352.479 -0.044 20 0 FBADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CCCO1 ZINC000418885166 484680787 /nfs/dbraw/zinc/68/07/87/484680787.db2.gz XXLLRAZYUAZLGM-OAGGEKHMSA-N 2 0 352.479 -0.044 20 0 FBADRP C[NH+](C)C1(CNC(=O)C(=O)NCCN2CC[NH2+]CC2)CCCCCC1 ZINC000418907044 484689983 /nfs/dbraw/zinc/68/99/83/484689983.db2.gz XKVBDSXTGDCOTD-UHFFFAOYSA-N 2 0 353.511 -0.221 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000418910124 484691028 /nfs/dbraw/zinc/69/10/28/484691028.db2.gz BBTACRDMRQQMRY-CRAIPNDOSA-N 2 0 352.479 -0.329 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000418910142 484691477 /nfs/dbraw/zinc/69/14/77/484691477.db2.gz BBTACRDMRQQMRY-MAUKXSAKSA-N 2 0 352.479 -0.329 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000418910146 484691636 /nfs/dbraw/zinc/69/16/36/484691636.db2.gz BBTACRDMRQQMRY-QAPCUYQASA-N 2 0 352.479 -0.329 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000418910149 484691131 /nfs/dbraw/zinc/69/11/31/484691131.db2.gz BBTACRDMRQQMRY-YJBOKZPZSA-N 2 0 352.479 -0.329 20 0 FBADRP C[N@@H+]1CC[C@H](NC(=O)C(=O)NCCN2CC[NH2+]CC2)[C@H]1c1ccccc1 ZINC000418911420 484692002 /nfs/dbraw/zinc/69/20/02/484692002.db2.gz QEZQXIPATWZJJH-DLBZAZTESA-N 2 0 359.474 -0.431 20 0 FBADRP C[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCN2CC[NH2+]CC2)[C@H]1c1ccccc1 ZINC000418911421 484690992 /nfs/dbraw/zinc/69/09/92/484690992.db2.gz QEZQXIPATWZJJH-IAGOWNOFSA-N 2 0 359.474 -0.431 20 0 FBADRP C[N@@H+]1CC[C@H](NC(=O)C(=O)NCCN2CC[NH2+]CC2)[C@@H]1c1ccccc1 ZINC000418911422 484692203 /nfs/dbraw/zinc/69/22/03/484692203.db2.gz QEZQXIPATWZJJH-IRXDYDNUSA-N 2 0 359.474 -0.431 20 0 FBADRP C[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCN2CC[NH2+]CC2)[C@@H]1c1ccccc1 ZINC000418911423 484691151 /nfs/dbraw/zinc/69/11/51/484691151.db2.gz QEZQXIPATWZJJH-SJORKVTESA-N 2 0 359.474 -0.431 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)C1 ZINC000418912476 484691909 /nfs/dbraw/zinc/69/19/09/484691909.db2.gz DDFOVTIJQMYSRD-ARFHVFGLSA-N 2 0 354.495 -0.097 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)C1 ZINC000418912477 484692121 /nfs/dbraw/zinc/69/21/21/484692121.db2.gz DDFOVTIJQMYSRD-BZUAXINKSA-N 2 0 354.495 -0.097 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)C1 ZINC000418912478 484692035 /nfs/dbraw/zinc/69/20/35/484692035.db2.gz DDFOVTIJQMYSRD-HRCADAONSA-N 2 0 354.495 -0.097 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)C1 ZINC000418912479 484691584 /nfs/dbraw/zinc/69/15/84/484691584.db2.gz DDFOVTIJQMYSRD-OWCLPIDISA-N 2 0 354.495 -0.097 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NCCC2=CC[NH2+]CC2)C1 ZINC000418914320 484691315 /nfs/dbraw/zinc/69/13/15/484691315.db2.gz FGKGWJRCXMHVSS-INIZCTEOSA-N 2 0 352.479 -0.115 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NCCC2=CC[NH2+]CC2)C1 ZINC000418914321 484691831 /nfs/dbraw/zinc/69/18/31/484691831.db2.gz FGKGWJRCXMHVSS-MRXNPFEDSA-N 2 0 352.479 -0.115 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000418916183 484691972 /nfs/dbraw/zinc/69/19/72/484691972.db2.gz GUCKPAZFTKDAGD-ARFHVFGLSA-N 2 0 352.479 -0.473 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)C1 ZINC000418916184 484691717 /nfs/dbraw/zinc/69/17/17/484691717.db2.gz GUCKPAZFTKDAGD-BZUAXINKSA-N 2 0 352.479 -0.473 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)C1 ZINC000418916185 484690872 /nfs/dbraw/zinc/69/08/72/484690872.db2.gz GUCKPAZFTKDAGD-HRCADAONSA-N 2 0 352.479 -0.473 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)C1 ZINC000418916186 484691688 /nfs/dbraw/zinc/69/16/88/484691688.db2.gz GUCKPAZFTKDAGD-OWCLPIDISA-N 2 0 352.479 -0.473 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000418917040 484691735 /nfs/dbraw/zinc/69/17/35/484691735.db2.gz HSQQOLMFPDOWGU-OWCLPIDISA-N 2 0 352.479 -0.188 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000418917041 484691551 /nfs/dbraw/zinc/69/15/51/484691551.db2.gz HSQQOLMFPDOWGU-PMPSAXMXSA-N 2 0 352.479 -0.188 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000418919040 484686213 /nfs/dbraw/zinc/68/62/13/484686213.db2.gz JRHYAUUMCWNWMM-MWDXBVQZSA-N 2 0 366.506 -0.036 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000418919046 484686307 /nfs/dbraw/zinc/68/63/07/484686307.db2.gz JRHYAUUMCWNWMM-QBPKDAKJSA-N 2 0 366.506 -0.036 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000418919051 484686991 /nfs/dbraw/zinc/68/69/91/484686991.db2.gz JRHYAUUMCWNWMM-YLFCFFPRSA-N 2 0 366.506 -0.036 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000418919056 484686965 /nfs/dbraw/zinc/68/69/65/484686965.db2.gz JRHYAUUMCWNWMM-YYIAUSFCSA-N 2 0 366.506 -0.036 20 0 FBADRP C[NH2+]CC1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000418919191 484689129 /nfs/dbraw/zinc/68/91/29/484689129.db2.gz JWMXOJVTLZTXFD-INIZCTEOSA-N 2 0 354.495 -0.083 20 0 FBADRP C[NH2+]CC1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000418919198 484688504 /nfs/dbraw/zinc/68/85/04/484688504.db2.gz JWMXOJVTLZTXFD-MRXNPFEDSA-N 2 0 354.495 -0.083 20 0 FBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000418919366 483421386 /nfs/dbraw/zinc/42/13/86/483421386.db2.gz ANLNJWYTRKPGLE-KBPBESRZSA-N 2 0 355.483 -0.854 20 0 FBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000418919367 483420857 /nfs/dbraw/zinc/42/08/57/483420857.db2.gz ANLNJWYTRKPGLE-KGLIPLIRSA-N 2 0 355.483 -0.854 20 0 FBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000418919368 483421583 /nfs/dbraw/zinc/42/15/83/483421583.db2.gz ANLNJWYTRKPGLE-UONOGXRCSA-N 2 0 355.483 -0.854 20 0 FBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000418919369 483420885 /nfs/dbraw/zinc/42/08/85/483420885.db2.gz ANLNJWYTRKPGLE-ZIAGYGMSSA-N 2 0 355.483 -0.854 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)C1 ZINC000418920317 661883988 /nfs/dbraw/zinc/88/39/88/661883988.db2.gz KQYVJZICULYQRG-CRAIPNDOSA-N 2 0 352.479 -0.186 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)C1 ZINC000418920326 661883915 /nfs/dbraw/zinc/88/39/15/661883915.db2.gz KQYVJZICULYQRG-MAUKXSAKSA-N 2 0 352.479 -0.186 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)C1 ZINC000418920333 661884086 /nfs/dbraw/zinc/88/40/86/661884086.db2.gz KQYVJZICULYQRG-QAPCUYQASA-N 2 0 352.479 -0.186 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)C1 ZINC000418920338 661883895 /nfs/dbraw/zinc/88/38/95/661883895.db2.gz KQYVJZICULYQRG-YJBOKZPZSA-N 2 0 352.479 -0.186 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)C1 ZINC000418920526 484688778 /nfs/dbraw/zinc/68/87/78/484688778.db2.gz LBCMXPXKEKBQMF-CVEARBPZSA-N 2 0 354.495 -0.035 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)C1 ZINC000418920527 484688179 /nfs/dbraw/zinc/68/81/79/484688179.db2.gz LBCMXPXKEKBQMF-HOTGVXAUSA-N 2 0 354.495 -0.035 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)C1 ZINC000418920528 484688455 /nfs/dbraw/zinc/68/84/55/484688455.db2.gz LBCMXPXKEKBQMF-HZPDHXFCSA-N 2 0 354.495 -0.035 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)C1 ZINC000418920529 484688015 /nfs/dbraw/zinc/68/80/15/484688015.db2.gz LBCMXPXKEKBQMF-JKSUJKDBSA-N 2 0 354.495 -0.035 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC000418923830 484688000 /nfs/dbraw/zinc/68/80/00/484688000.db2.gz OKDORIHKWJYYCV-OWCLPIDISA-N 2 0 352.479 -0.188 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC000418923831 484688860 /nfs/dbraw/zinc/68/88/60/484688860.db2.gz OKDORIHKWJYYCV-XHSDSOJGSA-N 2 0 352.479 -0.188 20 0 FBADRP C[C@@H]1CCC[C@@](CNC(=O)C(=O)NCCN2CC[NH2+]CC2)([NH+](C)C)C1 ZINC000418924997 484689148 /nfs/dbraw/zinc/68/91/48/484689148.db2.gz PSMNSRISVRXPEE-CRAIPNDOSA-N 2 0 353.511 -0.366 20 0 FBADRP C[C@H]1CCC[C@@](CNC(=O)C(=O)NCCN2CC[NH2+]CC2)([NH+](C)C)C1 ZINC000418924998 484688260 /nfs/dbraw/zinc/68/82/60/484688260.db2.gz PSMNSRISVRXPEE-MAUKXSAKSA-N 2 0 353.511 -0.366 20 0 FBADRP C[C@@H]1CCC[C@](CNC(=O)C(=O)NCCN2CC[NH2+]CC2)([NH+](C)C)C1 ZINC000418924999 484689073 /nfs/dbraw/zinc/68/90/73/484689073.db2.gz PSMNSRISVRXPEE-QAPCUYQASA-N 2 0 353.511 -0.366 20 0 FBADRP C[C@H]1CCC[C@](CNC(=O)C(=O)NCCN2CC[NH2+]CC2)([NH+](C)C)C1 ZINC000418925000 484689223 /nfs/dbraw/zinc/68/92/23/484689223.db2.gz PSMNSRISVRXPEE-YJBOKZPZSA-N 2 0 353.511 -0.366 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)C1 ZINC000418925990 484688598 /nfs/dbraw/zinc/68/85/98/484688598.db2.gz QZEOPHRGEGXWIY-CRAIPNDOSA-N 2 0 354.495 -0.035 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)C1 ZINC000418925991 484688564 /nfs/dbraw/zinc/68/85/64/484688564.db2.gz QZEOPHRGEGXWIY-MAUKXSAKSA-N 2 0 354.495 -0.035 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)C1 ZINC000418925992 484688120 /nfs/dbraw/zinc/68/81/20/484688120.db2.gz QZEOPHRGEGXWIY-QAPCUYQASA-N 2 0 354.495 -0.035 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)C1 ZINC000418925993 484688235 /nfs/dbraw/zinc/68/82/35/484688235.db2.gz QZEOPHRGEGXWIY-YJBOKZPZSA-N 2 0 354.495 -0.035 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@@H]2C)C1 ZINC000418926002 484688967 /nfs/dbraw/zinc/68/89/67/484688967.db2.gz QZYIPOQRWIZKKX-KFWWJZLASA-N 2 0 370.494 -0.311 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@@H]2C)C1 ZINC000418926003 484688094 /nfs/dbraw/zinc/68/80/94/484688094.db2.gz QZYIPOQRWIZKKX-RBSFLKMASA-N 2 0 370.494 -0.311 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)C1 ZINC000418926004 484689176 /nfs/dbraw/zinc/68/91/76/484689176.db2.gz QZYIPOQRWIZKKX-RRFJBIMHSA-N 2 0 370.494 -0.311 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)C1 ZINC000418926005 484688025 /nfs/dbraw/zinc/68/80/25/484688025.db2.gz QZYIPOQRWIZKKX-ZNMIVQPWSA-N 2 0 370.494 -0.311 20 0 FBADRP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000418927791 484688936 /nfs/dbraw/zinc/68/89/36/484688936.db2.gz UINPIQAATMBKSG-CVEARBPZSA-N 2 0 354.495 -0.083 20 0 FBADRP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000418927792 484688884 /nfs/dbraw/zinc/68/88/84/484688884.db2.gz UINPIQAATMBKSG-HOTGVXAUSA-N 2 0 354.495 -0.083 20 0 FBADRP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000418927793 484688699 /nfs/dbraw/zinc/68/86/99/484688699.db2.gz UINPIQAATMBKSG-HZPDHXFCSA-N 2 0 354.495 -0.083 20 0 FBADRP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000418927794 484688353 /nfs/dbraw/zinc/68/83/53/484688353.db2.gz UINPIQAATMBKSG-JKSUJKDBSA-N 2 0 354.495 -0.083 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000418928718 484688676 /nfs/dbraw/zinc/68/86/76/484688676.db2.gz VKGRLWRAPALDGZ-ARFHVFGLSA-N 2 0 354.495 -0.036 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000418928719 484688654 /nfs/dbraw/zinc/68/86/54/484688654.db2.gz VKGRLWRAPALDGZ-BZUAXINKSA-N 2 0 354.495 -0.036 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)C1 ZINC000418928720 484689232 /nfs/dbraw/zinc/68/92/32/484689232.db2.gz VKGRLWRAPALDGZ-HRCADAONSA-N 2 0 354.495 -0.036 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)C1 ZINC000418928721 484688313 /nfs/dbraw/zinc/68/83/13/484688313.db2.gz VKGRLWRAPALDGZ-OWCLPIDISA-N 2 0 354.495 -0.036 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NCC2(C)CC[NH2+]CC2)C1 ZINC000418929877 484689021 /nfs/dbraw/zinc/68/90/21/484689021.db2.gz XERUECORRFZRRZ-HNNXBMFYSA-N 2 0 354.495 -0.035 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NCC2(C)CC[NH2+]CC2)C1 ZINC000418929878 484689155 /nfs/dbraw/zinc/68/91/55/484689155.db2.gz XERUECORRFZRRZ-OAHLLOKOSA-N 2 0 354.495 -0.035 20 0 FBADRP O=C(NCCCCC[NH+]1CCCCC1)C(=O)NCCN1CC[NH2+]CC1 ZINC000418933764 484688621 /nfs/dbraw/zinc/68/86/21/484688621.db2.gz IBAXAISOSNYKEK-UHFFFAOYSA-N 2 0 353.511 -0.220 20 0 FBADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)c1ccco1 ZINC000418938643 484689803 /nfs/dbraw/zinc/68/98/03/484689803.db2.gz HBVSJPKQVAWKCI-KBPBESRZSA-N 2 0 352.435 -0.035 20 0 FBADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)c1ccco1 ZINC000418938645 484690209 /nfs/dbraw/zinc/69/02/09/484690209.db2.gz HBVSJPKQVAWKCI-KGLIPLIRSA-N 2 0 352.435 -0.035 20 0 FBADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)c1ccco1 ZINC000418938646 484690116 /nfs/dbraw/zinc/69/01/16/484690116.db2.gz HBVSJPKQVAWKCI-UONOGXRCSA-N 2 0 352.435 -0.035 20 0 FBADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)c1ccco1 ZINC000418938647 484689991 /nfs/dbraw/zinc/68/99/91/484689991.db2.gz HBVSJPKQVAWKCI-ZIAGYGMSSA-N 2 0 352.435 -0.035 20 0 FBADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)NCCN1CC[NH2+]CC1)c1ccco1 ZINC000418942818 484689679 /nfs/dbraw/zinc/68/96/79/484689679.db2.gz LWAHFQINXPYAMZ-HNNXBMFYSA-N 2 0 365.478 -0.200 20 0 FBADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)NCCN1CC[NH2+]CC1)c1ccco1 ZINC000418942822 484690607 /nfs/dbraw/zinc/69/06/07/484690607.db2.gz LWAHFQINXPYAMZ-OAHLLOKOSA-N 2 0 365.478 -0.200 20 0 FBADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)c1ccco1 ZINC000418945562 484690353 /nfs/dbraw/zinc/69/03/53/484690353.db2.gz PXQZNNUEVBHZMO-KBPBESRZSA-N 2 0 352.435 -0.117 20 0 FBADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)c1ccco1 ZINC000418945563 484690545 /nfs/dbraw/zinc/69/05/45/484690545.db2.gz PXQZNNUEVBHZMO-KGLIPLIRSA-N 2 0 352.435 -0.117 20 0 FBADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)c1ccco1 ZINC000418945564 484690417 /nfs/dbraw/zinc/69/04/17/484690417.db2.gz PXQZNNUEVBHZMO-UONOGXRCSA-N 2 0 352.435 -0.117 20 0 FBADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)c1ccco1 ZINC000418945565 484690242 /nfs/dbraw/zinc/69/02/42/484690242.db2.gz PXQZNNUEVBHZMO-ZIAGYGMSSA-N 2 0 352.435 -0.117 20 0 FBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000418946323 483422212 /nfs/dbraw/zinc/42/22/12/483422212.db2.gz OGBQXXMPGQWIFB-CABCVRRESA-N 2 0 369.510 -0.321 20 0 FBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000418946324 483422061 /nfs/dbraw/zinc/42/20/61/483422061.db2.gz OGBQXXMPGQWIFB-GJZGRUSLSA-N 2 0 369.510 -0.321 20 0 FBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000418946325 483422068 /nfs/dbraw/zinc/42/20/68/483422068.db2.gz OGBQXXMPGQWIFB-HUUCEWRRSA-N 2 0 369.510 -0.321 20 0 FBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000418946326 483422819 /nfs/dbraw/zinc/42/28/19/483422819.db2.gz OGBQXXMPGQWIFB-LSDHHAIUSA-N 2 0 369.510 -0.321 20 0 FBADRP C[NH+](C)CCOc1cc(CNC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)ccn1 ZINC000418949355 484693480 /nfs/dbraw/zinc/69/34/80/484693480.db2.gz FAXFOWCGMSXCGU-UHFFFAOYSA-N 2 0 363.462 -0.151 20 0 FBADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000418952827 484692929 /nfs/dbraw/zinc/69/29/29/484692929.db2.gz KVBQUKDYUSSBRR-DZGCQCFKSA-N 2 0 363.462 -0.248 20 0 FBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000418952828 484693849 /nfs/dbraw/zinc/69/38/49/484693849.db2.gz KVBQUKDYUSSBRR-HIFRSBDPSA-N 2 0 363.462 -0.248 20 0 FBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000418952829 484693356 /nfs/dbraw/zinc/69/33/56/484693356.db2.gz KVBQUKDYUSSBRR-UKRRQHHQSA-N 2 0 363.462 -0.248 20 0 FBADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000418952831 484693068 /nfs/dbraw/zinc/69/30/68/484693068.db2.gz KVBQUKDYUSSBRR-ZFWWWQNUSA-N 2 0 363.462 -0.248 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)NCc2ccnc(OCC[NH+](C)C)c2)C[C@H](C)[NH2+]1 ZINC000418953989 484693650 /nfs/dbraw/zinc/69/36/50/484693650.db2.gz MVZKXOTWMOGLTP-KBPBESRZSA-N 2 0 363.462 -0.153 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)NCc2ccnc(OCC[NH+](C)C)c2)C[C@H](C)[NH2+]1 ZINC000418953990 484693796 /nfs/dbraw/zinc/69/37/96/484693796.db2.gz MVZKXOTWMOGLTP-OKILXGFUSA-N 2 0 363.462 -0.153 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)NCc2ccnc(OCC[NH+](C)C)c2)C[C@@H](C)[NH2+]1 ZINC000418953991 484692953 /nfs/dbraw/zinc/69/29/53/484692953.db2.gz MVZKXOTWMOGLTP-ZIAGYGMSSA-N 2 0 363.462 -0.153 20 0 FBADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000418954494 484692758 /nfs/dbraw/zinc/69/27/58/484692758.db2.gz ODRVLWRCNFLAAK-AWEZNQCLSA-N 2 0 351.451 -0.262 20 0 FBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000418954498 484692822 /nfs/dbraw/zinc/69/28/22/484692822.db2.gz ODRVLWRCNFLAAK-CQSZACIVSA-N 2 0 351.451 -0.262 20 0 FBADRP C[C@@H](CNC(=O)C(=O)NCCN1CC[NH2+]CC1)[N@H+](C)Cc1ccccc1 ZINC000418957345 484694951 /nfs/dbraw/zinc/69/49/51/484694951.db2.gz DNMPZZRABMZONT-INIZCTEOSA-N 2 0 361.490 -0.356 20 0 FBADRP C[C@H](CNC(=O)C(=O)NCCN1CC[NH2+]CC1)[N@H+](C)Cc1ccccc1 ZINC000418957346 484695027 /nfs/dbraw/zinc/69/50/27/484695027.db2.gz DNMPZZRABMZONT-MRXNPFEDSA-N 2 0 361.490 -0.356 20 0 FBADRP C[NH+](C)CCOc1cc(CNC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)ccn1 ZINC000418957873 484695446 /nfs/dbraw/zinc/69/54/46/484695446.db2.gz WFARXFOMLJTWKP-HNNXBMFYSA-N 2 0 363.462 -0.104 20 0 FBADRP C[NH+](C)CCOc1cc(CNC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)ccn1 ZINC000418957874 484694852 /nfs/dbraw/zinc/69/48/52/484694852.db2.gz WFARXFOMLJTWKP-OAHLLOKOSA-N 2 0 363.462 -0.104 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)NCc2ccnc(OCC[NH+](C)C)c2)[C@@H](C)C[NH2+]1 ZINC000418958110 484695289 /nfs/dbraw/zinc/69/52/89/484695289.db2.gz WNFIBYQYCAWGPS-KBPBESRZSA-N 2 0 363.462 -0.153 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)NCc2ccnc(OCC[NH+](C)C)c2)[C@@H](C)C[NH2+]1 ZINC000418958111 484694828 /nfs/dbraw/zinc/69/48/28/484694828.db2.gz WNFIBYQYCAWGPS-KGLIPLIRSA-N 2 0 363.462 -0.153 20 0 FBADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000418958112 484694724 /nfs/dbraw/zinc/69/47/24/484694724.db2.gz WNFIBYQYCAWGPS-UONOGXRCSA-N 2 0 363.462 -0.153 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)NCc2ccnc(OCC[NH+](C)C)c2)[C@H](C)C[NH2+]1 ZINC000418958113 484695240 /nfs/dbraw/zinc/69/52/40/484695240.db2.gz WNFIBYQYCAWGPS-ZIAGYGMSSA-N 2 0 363.462 -0.153 20 0 FBADRP C[NH+](C)CCOc1cc(CNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)ccn1 ZINC000418958895 484695194 /nfs/dbraw/zinc/69/51/94/484695194.db2.gz YLRIQFPUHSFAGJ-CABCVRRESA-N 2 0 361.446 -0.542 20 0 FBADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000418959397 484694414 /nfs/dbraw/zinc/69/44/14/484694414.db2.gz ZWQADOUPMNNTKY-HNNXBMFYSA-N 2 0 363.462 -0.151 20 0 FBADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000418959398 484694334 /nfs/dbraw/zinc/69/43/34/484694334.db2.gz ZWQADOUPMNNTKY-OAHLLOKOSA-N 2 0 363.462 -0.151 20 0 FBADRP C[NH+](C)Cc1cc(CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)ccc1F ZINC000418970497 484696621 /nfs/dbraw/zinc/69/66/21/484696621.db2.gz WORRTYCNKSHRRV-AWEZNQCLSA-N 2 0 352.410 -0.310 20 0 FBADRP C[NH+](C)Cc1cc(CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)ccc1F ZINC000418970498 484696126 /nfs/dbraw/zinc/69/61/26/484696126.db2.gz WORRTYCNKSHRRV-CQSZACIVSA-N 2 0 352.410 -0.310 20 0 FBADRP C[N@H+](CCCNC(=O)C(=O)NCCN1CC[NH2+]CC1)Cc1ccccc1 ZINC000418993036 484701920 /nfs/dbraw/zinc/70/19/20/484701920.db2.gz GLMKMIIMFMMIQG-UHFFFAOYSA-N 2 0 361.490 -0.354 20 0 FBADRP O=C(NCCN1CC[NH2+]CC1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000418996980 484702068 /nfs/dbraw/zinc/70/20/68/484702068.db2.gz FWHFDJXEKNSVGW-UHFFFAOYSA-N 2 0 373.501 -0.080 20 0 FBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)NCCC[NH+]2CCCCC2)C1 ZINC000418997681 484702701 /nfs/dbraw/zinc/70/27/01/484702701.db2.gz LHQIMRBYTRUCAH-HNNXBMFYSA-N 2 0 367.494 -0.708 20 0 FBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)NCCC[NH+]2CCCCC2)C1 ZINC000418997683 484702406 /nfs/dbraw/zinc/70/24/06/484702406.db2.gz LHQIMRBYTRUCAH-OAHLLOKOSA-N 2 0 367.494 -0.708 20 0 FBADRP O=C(NCCN1CC[NH2+]CC1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000419004628 484702645 /nfs/dbraw/zinc/70/26/45/484702645.db2.gz FNSBHQRCHDJANU-UHFFFAOYSA-N 2 0 373.501 -0.080 20 0 FBADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000419022926 484699404 /nfs/dbraw/zinc/69/94/04/484699404.db2.gz CHMPWGVVXXGKHX-HNNXBMFYSA-N 2 0 353.511 -0.366 20 0 FBADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000419022927 484699993 /nfs/dbraw/zinc/69/99/93/484699993.db2.gz CHMPWGVVXXGKHX-OAHLLOKOSA-N 2 0 353.511 -0.366 20 0 FBADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000419024747 484699601 /nfs/dbraw/zinc/69/96/01/484699601.db2.gz KYWJCKXDHJUDID-KFWWJZLASA-N 2 0 354.495 -0.036 20 0 FBADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000419024749 484699908 /nfs/dbraw/zinc/69/99/08/484699908.db2.gz KYWJCKXDHJUDID-QLFBSQMISA-N 2 0 354.495 -0.036 20 0 FBADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000419024752 484699971 /nfs/dbraw/zinc/69/99/71/484699971.db2.gz KYWJCKXDHJUDID-RBSFLKMASA-N 2 0 354.495 -0.036 20 0 FBADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000419024754 484699253 /nfs/dbraw/zinc/69/92/53/484699253.db2.gz KYWJCKXDHJUDID-ZNMIVQPWSA-N 2 0 354.495 -0.036 20 0 FBADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419024927 484699685 /nfs/dbraw/zinc/69/96/85/484699685.db2.gz LHKWKZZCOWXVGM-FZKCQIBNSA-N 2 0 354.495 -0.036 20 0 FBADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419024928 484699476 /nfs/dbraw/zinc/69/94/76/484699476.db2.gz LHKWKZZCOWXVGM-QKPAOTATSA-N 2 0 354.495 -0.036 20 0 FBADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419024930 484699793 /nfs/dbraw/zinc/69/97/93/484699793.db2.gz LHKWKZZCOWXVGM-QXSJWSMHSA-N 2 0 354.495 -0.036 20 0 FBADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419024931 484699145 /nfs/dbraw/zinc/69/91/45/484699145.db2.gz LHKWKZZCOWXVGM-XUWVNRHRSA-N 2 0 354.495 -0.036 20 0 FBADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000419026823 484699623 /nfs/dbraw/zinc/69/96/23/484699623.db2.gz NZCCTCLZDBFCKC-HOTGVXAUSA-N 2 0 367.538 -0.120 20 0 FBADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000419026824 484699450 /nfs/dbraw/zinc/69/94/50/484699450.db2.gz NZCCTCLZDBFCKC-HZPDHXFCSA-N 2 0 367.538 -0.120 20 0 FBADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000419026825 484699098 /nfs/dbraw/zinc/69/90/98/484699098.db2.gz NZCCTCLZDBFCKC-IYBDPMFKSA-N 2 0 367.538 -0.120 20 0 FBADRP [NH3+]CCN(CCO)C(=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000419026906 484699610 /nfs/dbraw/zinc/69/96/10/484699610.db2.gz BZEHHQRLAPTABV-UHFFFAOYSA-N 2 0 372.535 -0.366 20 0 FBADRP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419030979 484701226 /nfs/dbraw/zinc/70/12/26/484701226.db2.gz UOZHILQKWWFOIX-BZUAXINKSA-N 2 0 353.511 -0.510 20 0 FBADRP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419030982 484701569 /nfs/dbraw/zinc/70/15/69/484701569.db2.gz UOZHILQKWWFOIX-OAGGEKHMSA-N 2 0 353.511 -0.510 20 0 FBADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419030985 484701021 /nfs/dbraw/zinc/70/10/21/484701021.db2.gz UOZHILQKWWFOIX-OWCLPIDISA-N 2 0 353.511 -0.510 20 0 FBADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419030987 484700830 /nfs/dbraw/zinc/70/08/30/484700830.db2.gz UOZHILQKWWFOIX-XHSDSOJGSA-N 2 0 353.511 -0.510 20 0 FBADRP CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)NCCN2CC[NH2+]CC2)c1 ZINC000419032010 484700664 /nfs/dbraw/zinc/70/06/64/484700664.db2.gz VNQIMMVGEYPQPJ-UHFFFAOYSA-N 2 0 361.490 -0.224 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000419044421 484705326 /nfs/dbraw/zinc/70/53/26/484705326.db2.gz LLEPUOMXEJQCFE-INIZCTEOSA-N 2 0 353.511 -0.223 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000419044422 484704901 /nfs/dbraw/zinc/70/49/01/484704901.db2.gz LLEPUOMXEJQCFE-MRXNPFEDSA-N 2 0 353.511 -0.223 20 0 FBADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000419047602 484705192 /nfs/dbraw/zinc/70/51/92/484705192.db2.gz SVGWXRJFKZROIB-AEFFLSMTSA-N 2 0 373.501 -0.041 20 0 FBADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000419047603 484704661 /nfs/dbraw/zinc/70/46/61/484704661.db2.gz SVGWXRJFKZROIB-FUHWJXTLSA-N 2 0 373.501 -0.041 20 0 FBADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000419047604 484705215 /nfs/dbraw/zinc/70/52/15/484705215.db2.gz SVGWXRJFKZROIB-SJLPKXTDSA-N 2 0 373.501 -0.041 20 0 FBADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000419047605 484705028 /nfs/dbraw/zinc/70/50/28/484705028.db2.gz SVGWXRJFKZROIB-WMZOPIPTSA-N 2 0 373.501 -0.041 20 0 FBADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NCC[NH2+]C ZINC000419054102 484706305 /nfs/dbraw/zinc/70/63/05/484706305.db2.gz GTEAYNADVWEQIN-IAGOWNOFSA-N 2 0 362.474 -0.025 20 0 FBADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NCC1C[NH2+]C1 ZINC000419060997 484707966 /nfs/dbraw/zinc/70/79/66/484707966.db2.gz URLKPGQYUIWWAB-QZTJIDSGSA-N 2 0 374.485 -0.025 20 0 FBADRP [NH3+]CCN(CCO)C(=O)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000419081111 484704091 /nfs/dbraw/zinc/70/40/91/484704091.db2.gz YECZKOIIABBWRY-UHFFFAOYSA-N 2 0 362.474 -0.206 20 0 FBADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000419104666 484712287 /nfs/dbraw/zinc/71/22/87/484712287.db2.gz AXIUVDNPHFJBJT-AWEZNQCLSA-N 2 0 360.462 -0.730 20 0 FBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000419104667 484712135 /nfs/dbraw/zinc/71/21/35/484712135.db2.gz AXIUVDNPHFJBJT-CQSZACIVSA-N 2 0 360.462 -0.730 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)CC[NH2+]1 ZINC000419104721 484711593 /nfs/dbraw/zinc/71/15/93/484711593.db2.gz BFZULGZKBVKPHG-AWEZNQCLSA-N 2 0 360.462 -0.730 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)CC[NH2+]1 ZINC000419104722 484712155 /nfs/dbraw/zinc/71/21/55/484712155.db2.gz BFZULGZKBVKPHG-CQSZACIVSA-N 2 0 360.462 -0.730 20 0 FBADRP C[NH+](C)Cc1ccc(CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)cc1F ZINC000419110840 484713914 /nfs/dbraw/zinc/71/39/14/484713914.db2.gz OELIRXUUHBHTER-AWEZNQCLSA-N 2 0 352.410 -0.310 20 0 FBADRP C[NH+](C)Cc1ccc(CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)cc1F ZINC000419110841 484713807 /nfs/dbraw/zinc/71/38/07/484713807.db2.gz OELIRXUUHBHTER-CQSZACIVSA-N 2 0 352.410 -0.310 20 0 FBADRP CN(C(=O)C(=O)NCc1ccc(C[NH+](C)C)c(F)c1)[C@H]1C[NH2+]C[C@@H]1O ZINC000419112691 484713109 /nfs/dbraw/zinc/71/31/09/484713109.db2.gz PZFGYAWNYSZKAQ-GJZGRUSLSA-N 2 0 352.410 -0.705 20 0 FBADRP C[N@H+](CCNC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])C1CC1 ZINC000419115335 484714702 /nfs/dbraw/zinc/71/47/02/484714702.db2.gz XXJWGLXCVSGHFN-AWEZNQCLSA-N 2 0 353.467 -0.957 20 0 FBADRP C[N@H+](CCNC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])C1CC1 ZINC000419115345 484714538 /nfs/dbraw/zinc/71/45/38/484714538.db2.gz XXJWGLXCVSGHFN-CQSZACIVSA-N 2 0 353.467 -0.957 20 0 FBADRP C[N@H+](CCNC(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C1CC1 ZINC000419117011 484714909 /nfs/dbraw/zinc/71/49/09/484714909.db2.gz ZIXKGZSNYJJUJL-GFCCVEGCSA-N 2 0 365.400 -0.851 20 0 FBADRP C[N@H+](CCNC(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C1CC1 ZINC000419117012 484715564 /nfs/dbraw/zinc/71/55/64/484715564.db2.gz ZIXKGZSNYJJUJL-LBPRGKRZSA-N 2 0 365.400 -0.851 20 0 FBADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000419120129 484714759 /nfs/dbraw/zinc/71/47/59/484714759.db2.gz CAKFPHPADZSCMJ-CVEARBPZSA-N 2 0 355.527 -0.136 20 0 FBADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000419120133 484714794 /nfs/dbraw/zinc/71/47/94/484714794.db2.gz CAKFPHPADZSCMJ-HOTGVXAUSA-N 2 0 355.527 -0.136 20 0 FBADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000419120137 484715114 /nfs/dbraw/zinc/71/51/14/484715114.db2.gz CAKFPHPADZSCMJ-HZPDHXFCSA-N 2 0 355.527 -0.136 20 0 FBADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000419120141 484714355 /nfs/dbraw/zinc/71/43/55/484714355.db2.gz CAKFPHPADZSCMJ-JKSUJKDBSA-N 2 0 355.527 -0.136 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)[C@@H](C)C[NH2+]1 ZINC000419120359 484714310 /nfs/dbraw/zinc/71/43/10/484714310.db2.gz UBYOOPXNYUYAQZ-CABCVRRESA-N 2 0 374.489 -0.342 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)[C@@H](C)C[NH2+]1 ZINC000419120361 484714735 /nfs/dbraw/zinc/71/47/35/484714735.db2.gz UBYOOPXNYUYAQZ-GJZGRUSLSA-N 2 0 374.489 -0.342 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)[C@H](C)C[NH2+]1 ZINC000419120362 484714487 /nfs/dbraw/zinc/71/44/87/484714487.db2.gz UBYOOPXNYUYAQZ-HUUCEWRRSA-N 2 0 374.489 -0.342 20 0 FBADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000419120363 484715276 /nfs/dbraw/zinc/71/52/76/484715276.db2.gz UBYOOPXNYUYAQZ-LSDHHAIUSA-N 2 0 374.489 -0.342 20 0 FBADRP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C)N1CC[NH+](C)CC1 ZINC000419121347 484715597 /nfs/dbraw/zinc/71/55/97/484715597.db2.gz DGCVIVAQPTXTPU-JYJNAYRXSA-N 2 0 353.511 -0.511 20 0 FBADRP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C)N1CC[NH+](C)CC1 ZINC000419121348 484715665 /nfs/dbraw/zinc/71/56/65/484715665.db2.gz DGCVIVAQPTXTPU-OAGGEKHMSA-N 2 0 353.511 -0.511 20 0 FBADRP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C)N1CC[NH+](C)CC1 ZINC000419121349 484715183 /nfs/dbraw/zinc/71/51/83/484715183.db2.gz DGCVIVAQPTXTPU-PMPSAXMXSA-N 2 0 353.511 -0.511 20 0 FBADRP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)N1CC[NH+](C)CC1 ZINC000419121350 484715614 /nfs/dbraw/zinc/71/56/14/484715614.db2.gz DGCVIVAQPTXTPU-XHSDSOJGSA-N 2 0 353.511 -0.511 20 0 FBADRP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CC[NH2+]C(C)(C)C3)cn2)CC1 ZINC000419122837 484716357 /nfs/dbraw/zinc/71/63/57/484716357.db2.gz XCAVMTQKCLWQET-UHFFFAOYSA-N 2 0 374.489 -0.340 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C[C@H](C)[NH2+]1 ZINC000419123629 484716732 /nfs/dbraw/zinc/71/67/32/484716732.db2.gz YJKBDHMTPUYVOZ-GASCZTMLSA-N 2 0 374.489 -0.342 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C[C@H](C)[NH2+]1 ZINC000419123630 484717391 /nfs/dbraw/zinc/71/73/91/484717391.db2.gz YJKBDHMTPUYVOZ-GJZGRUSLSA-N 2 0 374.489 -0.342 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C[C@@H](C)[NH2+]1 ZINC000419123631 484717077 /nfs/dbraw/zinc/71/70/77/484717077.db2.gz YJKBDHMTPUYVOZ-HUUCEWRRSA-N 2 0 374.489 -0.342 20 0 FBADRP CC(C)[C@H](CNC(=O)C(=O)N1CCC[C@H](C)[C@H]1C[NH3+])N1CC[NH+](C)CC1 ZINC000419125617 484716478 /nfs/dbraw/zinc/71/64/78/484716478.db2.gz KLGFVXQYKWSJDY-BBWFWOEESA-N 2 0 367.538 -0.040 20 0 FBADRP CC(C)[C@H](CNC(=O)C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+])N1CC[NH+](C)CC1 ZINC000419125710 484716627 /nfs/dbraw/zinc/71/66/27/484716627.db2.gz KLGFVXQYKWSJDY-IKGGRYGDSA-N 2 0 367.538 -0.040 20 0 FBADRP CC(C)[C@H](CNC(=O)C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+])N1CC[NH+](C)CC1 ZINC000419125711 484717405 /nfs/dbraw/zinc/71/74/05/484717405.db2.gz KLGFVXQYKWSJDY-ULQDDVLXSA-N 2 0 367.538 -0.040 20 0 FBADRP CC(C)[C@H](CNC(=O)C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+])N1CC[NH+](C)CC1 ZINC000419125712 484716579 /nfs/dbraw/zinc/71/65/79/484716579.db2.gz KLGFVXQYKWSJDY-ZACQAIPSSA-N 2 0 367.538 -0.040 20 0 FBADRP CC(C)[C@H](CNC(=O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1)N1CC[NH+](C)CC1 ZINC000419126692 484716689 /nfs/dbraw/zinc/71/66/89/484716689.db2.gz NQROCMFVWBCFSW-BBWFWOEESA-N 2 0 367.538 -0.040 20 0 FBADRP CC(C)[C@H](CNC(=O)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1)N1CC[NH+](C)CC1 ZINC000419126693 484716765 /nfs/dbraw/zinc/71/67/65/484716765.db2.gz NQROCMFVWBCFSW-IKGGRYGDSA-N 2 0 367.538 -0.040 20 0 FBADRP CC(C)[C@H](CNC(=O)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1)N1CC[NH+](C)CC1 ZINC000419126694 484716873 /nfs/dbraw/zinc/71/68/73/484716873.db2.gz NQROCMFVWBCFSW-ULQDDVLXSA-N 2 0 367.538 -0.040 20 0 FBADRP CC(C)[C@H](CNC(=O)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1)N1CC[NH+](C)CC1 ZINC000419126695 484717092 /nfs/dbraw/zinc/71/70/92/484717092.db2.gz NQROCMFVWBCFSW-ZACQAIPSSA-N 2 0 367.538 -0.040 20 0 FBADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000419127581 484718886 /nfs/dbraw/zinc/71/88/86/484718886.db2.gz RJWKSBGHSYLJIX-CVEARBPZSA-N 2 0 353.511 -0.415 20 0 FBADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000419127582 484718776 /nfs/dbraw/zinc/71/87/76/484718776.db2.gz RJWKSBGHSYLJIX-HOTGVXAUSA-N 2 0 353.511 -0.415 20 0 FBADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000419127583 484718615 /nfs/dbraw/zinc/71/86/15/484718615.db2.gz RJWKSBGHSYLJIX-HZPDHXFCSA-N 2 0 353.511 -0.415 20 0 FBADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000419127584 484718577 /nfs/dbraw/zinc/71/85/77/484718577.db2.gz RJWKSBGHSYLJIX-JKSUJKDBSA-N 2 0 353.511 -0.415 20 0 FBADRP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1)N1CC[NH+](C)CC1 ZINC000419127978 484718108 /nfs/dbraw/zinc/71/81/08/484718108.db2.gz UJAJZXIHALDZQQ-CVEARBPZSA-N 2 0 353.511 -0.367 20 0 FBADRP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1)N1CC[NH+](C)CC1 ZINC000419127979 484718753 /nfs/dbraw/zinc/71/87/53/484718753.db2.gz UJAJZXIHALDZQQ-HOTGVXAUSA-N 2 0 353.511 -0.367 20 0 FBADRP CC(C)[C@@H](CNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1)N1CC[NH+](C)CC1 ZINC000419127980 484719002 /nfs/dbraw/zinc/71/90/02/484719002.db2.gz UJAJZXIHALDZQQ-HZPDHXFCSA-N 2 0 353.511 -0.367 20 0 FBADRP CC(C)[C@@H](CNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1)N1CC[NH+](C)CC1 ZINC000419127981 484718152 /nfs/dbraw/zinc/71/81/52/484718152.db2.gz UJAJZXIHALDZQQ-JKSUJKDBSA-N 2 0 353.511 -0.367 20 0 FBADRP CCCN(C(=O)C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1)[C@H]1CC[NH2+]C1 ZINC000419129519 484718418 /nfs/dbraw/zinc/71/84/18/484718418.db2.gz YICZJZDUIRNKNI-DLBZAZTESA-N 2 0 367.538 -0.025 20 0 FBADRP CCCN(C(=O)C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1)[C@@H]1CC[NH2+]C1 ZINC000419129521 484718670 /nfs/dbraw/zinc/71/86/70/484718670.db2.gz YICZJZDUIRNKNI-IAGOWNOFSA-N 2 0 367.538 -0.025 20 0 FBADRP CCCN(C(=O)C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1)[C@H]1CC[NH2+]C1 ZINC000419129523 484718849 /nfs/dbraw/zinc/71/88/49/484718849.db2.gz YICZJZDUIRNKNI-IRXDYDNUSA-N 2 0 367.538 -0.025 20 0 FBADRP CCCN(C(=O)C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1)[C@@H]1CC[NH2+]C1 ZINC000419129525 484718603 /nfs/dbraw/zinc/71/86/03/484718603.db2.gz YICZJZDUIRNKNI-SJORKVTESA-N 2 0 367.538 -0.025 20 0 FBADRP [NH3+][C@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000419132403 484719560 /nfs/dbraw/zinc/71/95/60/484719560.db2.gz BJRVTJISDQRXRF-DLBZAZTESA-N 2 0 360.458 -0.047 20 0 FBADRP [NH3+][C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000419132405 484720370 /nfs/dbraw/zinc/72/03/70/484720370.db2.gz BJRVTJISDQRXRF-IAGOWNOFSA-N 2 0 360.458 -0.047 20 0 FBADRP [NH3+][C@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000419132407 484720154 /nfs/dbraw/zinc/72/01/54/484720154.db2.gz BJRVTJISDQRXRF-IRXDYDNUSA-N 2 0 360.458 -0.047 20 0 FBADRP [NH3+][C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000419132408 484720209 /nfs/dbraw/zinc/72/02/09/484720209.db2.gz BJRVTJISDQRXRF-SJORKVTESA-N 2 0 360.458 -0.047 20 0 FBADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000419132520 484719651 /nfs/dbraw/zinc/71/96/51/484719651.db2.gz DYQKLRVYSQBSDI-INIZCTEOSA-N 2 0 353.511 -0.508 20 0 FBADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000419132522 484719444 /nfs/dbraw/zinc/71/94/44/484719444.db2.gz DYQKLRVYSQBSDI-MRXNPFEDSA-N 2 0 353.511 -0.508 20 0 FBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000419133191 484719712 /nfs/dbraw/zinc/71/97/12/484719712.db2.gz FIDRTUGGUWOXQU-NEPJUHHUSA-N 2 0 367.416 -0.605 20 0 FBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000419133192 484720389 /nfs/dbraw/zinc/72/03/89/484720389.db2.gz FIDRTUGGUWOXQU-NWDGAFQWSA-N 2 0 367.416 -0.605 20 0 FBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000419133193 484720362 /nfs/dbraw/zinc/72/03/62/484720362.db2.gz FIDRTUGGUWOXQU-RYUDHWBXSA-N 2 0 367.416 -0.605 20 0 FBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000419133194 484719970 /nfs/dbraw/zinc/71/99/70/484719970.db2.gz FIDRTUGGUWOXQU-VXGBXAGGSA-N 2 0 367.416 -0.605 20 0 FBADRP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419133686 484720182 /nfs/dbraw/zinc/72/01/82/484720182.db2.gz GKBSLPLVOPYVBY-IYBDPMFKSA-N 2 0 360.458 -0.079 20 0 FBADRP CC(C)CC[NH+]1CCC(CNC(=O)C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000419133742 484719423 /nfs/dbraw/zinc/71/94/23/484719423.db2.gz GHIWAXPWEUGKMK-UHFFFAOYSA-N 2 0 367.538 -0.118 20 0 FBADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)CCO1 ZINC000419136096 484726057 /nfs/dbraw/zinc/72/60/57/484726057.db2.gz OHZAYPPIBBPEOS-DLBZAZTESA-N 2 0 360.458 -0.047 20 0 FBADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)CCO1 ZINC000419136097 484725803 /nfs/dbraw/zinc/72/58/03/484725803.db2.gz OHZAYPPIBBPEOS-IAGOWNOFSA-N 2 0 360.458 -0.047 20 0 FBADRP [NH3+]C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)CCO1 ZINC000419136098 484725922 /nfs/dbraw/zinc/72/59/22/484725922.db2.gz OHZAYPPIBBPEOS-IRXDYDNUSA-N 2 0 360.458 -0.047 20 0 FBADRP [NH3+]C[C@H]1CN(C(=O)C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)CCO1 ZINC000419136099 484726395 /nfs/dbraw/zinc/72/63/95/484726395.db2.gz OHZAYPPIBBPEOS-SJORKVTESA-N 2 0 360.458 -0.047 20 0 FBADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000419136233 484726180 /nfs/dbraw/zinc/72/61/80/484726180.db2.gz MXVCGENMNSXKJN-QLFBSQMISA-N 2 0 367.494 -0.711 20 0 FBADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000419136234 484725475 /nfs/dbraw/zinc/72/54/75/484725475.db2.gz MXVCGENMNSXKJN-RBSFLKMASA-N 2 0 367.494 -0.711 20 0 FBADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000419136235 484726386 /nfs/dbraw/zinc/72/63/86/484726386.db2.gz MXVCGENMNSXKJN-RRFJBIMHSA-N 2 0 367.494 -0.711 20 0 FBADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000419136236 484725651 /nfs/dbraw/zinc/72/56/51/484725651.db2.gz MXVCGENMNSXKJN-SOUVJXGZSA-N 2 0 367.494 -0.711 20 0 FBADRP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419137761 484726250 /nfs/dbraw/zinc/72/62/50/484726250.db2.gz RBUJIMGZNWSEFW-DLBZAZTESA-N 2 0 360.458 -0.128 20 0 FBADRP O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419137763 484726002 /nfs/dbraw/zinc/72/60/02/484726002.db2.gz RBUJIMGZNWSEFW-IAGOWNOFSA-N 2 0 360.458 -0.128 20 0 FBADRP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419137765 484725429 /nfs/dbraw/zinc/72/54/29/484725429.db2.gz RBUJIMGZNWSEFW-IRXDYDNUSA-N 2 0 360.458 -0.128 20 0 FBADRP O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419137767 484725876 /nfs/dbraw/zinc/72/58/76/484725876.db2.gz RBUJIMGZNWSEFW-SJORKVTESA-N 2 0 360.458 -0.128 20 0 FBADRP O=C(NCCN1CC[NH2+]CC1)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000419141324 484725524 /nfs/dbraw/zinc/72/55/24/484725524.db2.gz WTUABLLEKDHVST-GOSISDBHSA-N 2 0 373.501 -0.211 20 0 FBADRP O=C(NCCN1CC[NH2+]CC1)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000419141325 484725497 /nfs/dbraw/zinc/72/54/97/484725497.db2.gz WTUABLLEKDHVST-SFHVURJKSA-N 2 0 373.501 -0.211 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)C[C@H](C)[NH2+]1 ZINC000419142586 484726368 /nfs/dbraw/zinc/72/63/68/484726368.db2.gz CHYNBCBAXHFJJD-GASCZTMLSA-N 2 0 374.489 -0.342 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)C[C@H](C)[NH2+]1 ZINC000419142587 484725842 /nfs/dbraw/zinc/72/58/42/484725842.db2.gz CHYNBCBAXHFJJD-GJZGRUSLSA-N 2 0 374.489 -0.342 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)C[C@@H](C)[NH2+]1 ZINC000419142588 484726200 /nfs/dbraw/zinc/72/62/00/484726200.db2.gz CHYNBCBAXHFJJD-HUUCEWRRSA-N 2 0 374.489 -0.342 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)[C@@H](C)C[NH2+]1 ZINC000419144587 484727040 /nfs/dbraw/zinc/72/70/40/484727040.db2.gz FVPPXDQRMGCXAM-CABCVRRESA-N 2 0 374.489 -0.342 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)[C@@H](C)C[NH2+]1 ZINC000419144590 484727406 /nfs/dbraw/zinc/72/74/06/484727406.db2.gz FVPPXDQRMGCXAM-GJZGRUSLSA-N 2 0 374.489 -0.342 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)[C@H](C)C[NH2+]1 ZINC000419144592 484727753 /nfs/dbraw/zinc/72/77/53/484727753.db2.gz FVPPXDQRMGCXAM-HUUCEWRRSA-N 2 0 374.489 -0.342 20 0 FBADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000419144594 484727617 /nfs/dbraw/zinc/72/76/17/484727617.db2.gz FVPPXDQRMGCXAM-LSDHHAIUSA-N 2 0 374.489 -0.342 20 0 FBADRP C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CC1 ZINC000419146697 484727816 /nfs/dbraw/zinc/72/78/16/484727816.db2.gz HSKVZKNNMGRTFR-UHFFFAOYSA-N 2 0 374.489 -0.340 20 0 FBADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000419147636 484727902 /nfs/dbraw/zinc/72/79/02/484727902.db2.gz JDDIFENVDJAHII-DZGCQCFKSA-N 2 0 365.478 -0.815 20 0 FBADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000419147642 484726995 /nfs/dbraw/zinc/72/69/95/484726995.db2.gz JDDIFENVDJAHII-HIFRSBDPSA-N 2 0 365.478 -0.815 20 0 FBADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000419147644 484727641 /nfs/dbraw/zinc/72/76/41/484727641.db2.gz JDDIFENVDJAHII-UKRRQHHQSA-N 2 0 365.478 -0.815 20 0 FBADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000419147646 484727835 /nfs/dbraw/zinc/72/78/35/484727835.db2.gz JDDIFENVDJAHII-ZFWWWQNUSA-N 2 0 365.478 -0.815 20 0 FBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000419151157 484727254 /nfs/dbraw/zinc/72/72/54/484727254.db2.gz NFRXUYDZZZBKJB-KBPBESRZSA-N 2 0 355.483 -0.711 20 0 FBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000419151159 484727076 /nfs/dbraw/zinc/72/70/76/484727076.db2.gz NFRXUYDZZZBKJB-KGLIPLIRSA-N 2 0 355.483 -0.711 20 0 FBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000419151161 484727168 /nfs/dbraw/zinc/72/71/68/484727168.db2.gz NFRXUYDZZZBKJB-UONOGXRCSA-N 2 0 355.483 -0.711 20 0 FBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000419151163 484727027 /nfs/dbraw/zinc/72/70/27/484727027.db2.gz NFRXUYDZZZBKJB-ZIAGYGMSSA-N 2 0 355.483 -0.711 20 0 FBADRP CC(C)CC[NH+]1CCC(CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000419151921 484729091 /nfs/dbraw/zinc/72/90/91/484729091.db2.gz MVDWLFOFSSMCRZ-INIZCTEOSA-N 2 0 354.495 -0.035 20 0 FBADRP CC(C)CC[NH+]1CCC(CNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000419151922 484729058 /nfs/dbraw/zinc/72/90/58/484729058.db2.gz MVDWLFOFSSMCRZ-MRXNPFEDSA-N 2 0 354.495 -0.035 20 0 FBADRP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000419155671 484720046 /nfs/dbraw/zinc/72/00/46/484720046.db2.gz UFIQCMIFZZTOKK-HNNXBMFYSA-N 2 0 364.446 -0.571 20 0 FBADRP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000419155672 484720202 /nfs/dbraw/zinc/72/02/02/484720202.db2.gz UFIQCMIFZZTOKK-OAHLLOKOSA-N 2 0 364.446 -0.571 20 0 FBADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000419156701 484720017 /nfs/dbraw/zinc/72/00/17/484720017.db2.gz JVQBTCBEVJTXJL-AWEZNQCLSA-N 2 0 360.462 -0.730 20 0 FBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000419156703 484720254 /nfs/dbraw/zinc/72/02/54/484720254.db2.gz JVQBTCBEVJTXJL-CQSZACIVSA-N 2 0 360.462 -0.730 20 0 FBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419157849 484719739 /nfs/dbraw/zinc/71/97/39/484719739.db2.gz WTOOXDOFMQVQLH-CABCVRRESA-N 2 0 367.494 -0.887 20 0 FBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419157855 484720166 /nfs/dbraw/zinc/72/01/66/484720166.db2.gz WTOOXDOFMQVQLH-GJZGRUSLSA-N 2 0 367.494 -0.887 20 0 FBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419157856 484720092 /nfs/dbraw/zinc/72/00/92/484720092.db2.gz WTOOXDOFMQVQLH-HUUCEWRRSA-N 2 0 367.494 -0.887 20 0 FBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419157857 484719631 /nfs/dbraw/zinc/71/96/31/484719631.db2.gz WTOOXDOFMQVQLH-LSDHHAIUSA-N 2 0 367.494 -0.887 20 0 FBADRP C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N2CCCC[C@H]2C[NH3+])CC1 ZINC000419159417 484721613 /nfs/dbraw/zinc/72/16/13/484721613.db2.gz OCPLAUGZXHKXKL-INIZCTEOSA-N 2 0 374.489 -0.211 20 0 FBADRP C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CC1 ZINC000419159418 484721844 /nfs/dbraw/zinc/72/18/44/484721844.db2.gz OCPLAUGZXHKXKL-MRXNPFEDSA-N 2 0 374.489 -0.211 20 0 FBADRP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419163661 484721782 /nfs/dbraw/zinc/72/17/82/484721782.db2.gz KDORCAGQNNFUFB-DLBZAZTESA-N 2 0 360.458 -0.128 20 0 FBADRP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419163662 484721441 /nfs/dbraw/zinc/72/14/41/484721441.db2.gz KDORCAGQNNFUFB-IAGOWNOFSA-N 2 0 360.458 -0.128 20 0 FBADRP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419163663 484721183 /nfs/dbraw/zinc/72/11/83/484721183.db2.gz KDORCAGQNNFUFB-IRXDYDNUSA-N 2 0 360.458 -0.128 20 0 FBADRP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419163664 484721642 /nfs/dbraw/zinc/72/16/42/484721642.db2.gz KDORCAGQNNFUFB-SJORKVTESA-N 2 0 360.458 -0.128 20 0 FBADRP [NH3+]C[C@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CCO1 ZINC000419165197 484721206 /nfs/dbraw/zinc/72/12/06/484721206.db2.gz FWYPZBUIAULTFT-MSOLQXFVSA-N 2 0 374.485 -0.147 20 0 FBADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CCO1 ZINC000419165198 484720887 /nfs/dbraw/zinc/72/08/87/484720887.db2.gz FWYPZBUIAULTFT-QZTJIDSGSA-N 2 0 374.485 -0.147 20 0 FBADRP [NH3+]C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CCO1 ZINC000419165199 484721731 /nfs/dbraw/zinc/72/17/31/484721731.db2.gz FWYPZBUIAULTFT-ROUUACIJSA-N 2 0 374.485 -0.147 20 0 FBADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CCO1 ZINC000419165200 484721253 /nfs/dbraw/zinc/72/12/53/484721253.db2.gz FWYPZBUIAULTFT-ZWKOTPCHSA-N 2 0 374.485 -0.147 20 0 FBADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419172119 484723098 /nfs/dbraw/zinc/72/30/98/484723098.db2.gz QOQIPYNOJBXBSK-INIZCTEOSA-N 2 0 353.511 -0.221 20 0 FBADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419172122 484722727 /nfs/dbraw/zinc/72/27/27/484722727.db2.gz QOQIPYNOJBXBSK-MRXNPFEDSA-N 2 0 353.511 -0.221 20 0 FBADRP C[C@@H]1CCN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C[C@@H]1C[NH3+] ZINC000419176857 484724551 /nfs/dbraw/zinc/72/45/51/484724551.db2.gz CIMNHCKXUSIJSS-CABCVRRESA-N 2 0 353.511 -0.428 20 0 FBADRP C[C@H]1CCN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C[C@@H]1C[NH3+] ZINC000419176858 484723981 /nfs/dbraw/zinc/72/39/81/484723981.db2.gz CIMNHCKXUSIJSS-GJZGRUSLSA-N 2 0 353.511 -0.428 20 0 FBADRP C[C@@H]1CCN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C[C@H]1C[NH3+] ZINC000419176859 484724117 /nfs/dbraw/zinc/72/41/17/484724117.db2.gz CIMNHCKXUSIJSS-HUUCEWRRSA-N 2 0 353.511 -0.428 20 0 FBADRP C[C@H]1CCN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C[C@H]1C[NH3+] ZINC000419176860 484724419 /nfs/dbraw/zinc/72/44/19/484724419.db2.gz CIMNHCKXUSIJSS-LSDHHAIUSA-N 2 0 353.511 -0.428 20 0 FBADRP C[C@@H]1CCCN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)[C@H]1C[NH3+] ZINC000419176873 484724385 /nfs/dbraw/zinc/72/43/85/484724385.db2.gz CLFLBSJZRMOXMS-CABCVRRESA-N 2 0 353.511 -0.286 20 0 FBADRP C[C@H]1CCCN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)[C@H]1C[NH3+] ZINC000419176874 484723837 /nfs/dbraw/zinc/72/38/37/484723837.db2.gz CLFLBSJZRMOXMS-GJZGRUSLSA-N 2 0 353.511 -0.286 20 0 FBADRP C[C@@H]1CCCN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)[C@@H]1C[NH3+] ZINC000419176875 484724036 /nfs/dbraw/zinc/72/40/36/484724036.db2.gz CLFLBSJZRMOXMS-HUUCEWRRSA-N 2 0 353.511 -0.286 20 0 FBADRP C[C@H]1CCCN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)[C@@H]1C[NH3+] ZINC000419176876 484724231 /nfs/dbraw/zinc/72/42/31/484724231.db2.gz CLFLBSJZRMOXMS-LSDHHAIUSA-N 2 0 353.511 -0.286 20 0 FBADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000419179302 484724173 /nfs/dbraw/zinc/72/41/73/484724173.db2.gz HTPHJUSKWJOMCC-HNNXBMFYSA-N 2 0 353.511 -0.271 20 0 FBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000419179303 484724078 /nfs/dbraw/zinc/72/40/78/484724078.db2.gz HTPHJUSKWJOMCC-OAHLLOKOSA-N 2 0 353.511 -0.271 20 0 FBADRP CCCN(C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)[C@H]1CC[NH2+]C1 ZINC000419182841 484731868 /nfs/dbraw/zinc/73/18/68/484731868.db2.gz LUHKJKTYXYOYPW-HNNXBMFYSA-N 2 0 353.511 -0.271 20 0 FBADRP CCCN(C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)[C@@H]1CC[NH2+]C1 ZINC000419182843 484732319 /nfs/dbraw/zinc/73/23/19/484732319.db2.gz LUHKJKTYXYOYPW-OAHLLOKOSA-N 2 0 353.511 -0.271 20 0 FBADRP O=C(NCCN1CC[NH2+]CC1)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000419183406 484732899 /nfs/dbraw/zinc/73/28/99/484732899.db2.gz MFIQZCDZOKDAGV-KRWDZBQOSA-N 2 0 365.522 -0.079 20 0 FBADRP O=C(NCCN1CC[NH2+]CC1)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000419183409 484733135 /nfs/dbraw/zinc/73/31/35/484733135.db2.gz MFIQZCDZOKDAGV-QGZVFWFLSA-N 2 0 365.522 -0.079 20 0 FBADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000419183596 484733087 /nfs/dbraw/zinc/73/30/87/484733087.db2.gz DUEPAPNGURZYSN-UHFFFAOYSA-N 2 0 353.511 -0.094 20 0 FBADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000419184347 484733984 /nfs/dbraw/zinc/73/39/84/484733984.db2.gz NIBBGGUCWYKCJF-CABCVRRESA-N 2 0 353.511 -0.143 20 0 FBADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000419184348 484733663 /nfs/dbraw/zinc/73/36/63/484733663.db2.gz NIBBGGUCWYKCJF-GJZGRUSLSA-N 2 0 353.511 -0.143 20 0 FBADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000419184349 484733711 /nfs/dbraw/zinc/73/37/11/484733711.db2.gz NIBBGGUCWYKCJF-HUUCEWRRSA-N 2 0 353.511 -0.143 20 0 FBADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000419184350 484734507 /nfs/dbraw/zinc/73/45/07/484734507.db2.gz NIBBGGUCWYKCJF-LSDHHAIUSA-N 2 0 353.511 -0.143 20 0 FBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1(C)C ZINC000419189315 484734488 /nfs/dbraw/zinc/73/44/88/484734488.db2.gz TZRGBCVIHDCFNX-HNNXBMFYSA-N 2 0 353.511 -0.238 20 0 FBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)CC1(C)C ZINC000419189316 484734108 /nfs/dbraw/zinc/73/41/08/484734108.db2.gz TZRGBCVIHDCFNX-OAHLLOKOSA-N 2 0 353.511 -0.238 20 0 FBADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000419189380 484734447 /nfs/dbraw/zinc/73/44/47/484734447.db2.gz UIEZLVKSUVGIES-KBPBESRZSA-N 2 0 369.510 -0.642 20 0 FBADRP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000419189381 484733804 /nfs/dbraw/zinc/73/38/04/484733804.db2.gz UIEZLVKSUVGIES-KGLIPLIRSA-N 2 0 369.510 -0.642 20 0 FBADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000419189382 484733771 /nfs/dbraw/zinc/73/37/71/484733771.db2.gz UIEZLVKSUVGIES-UONOGXRCSA-N 2 0 369.510 -0.642 20 0 FBADRP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000419189383 484734633 /nfs/dbraw/zinc/73/46/33/484734633.db2.gz UIEZLVKSUVGIES-ZIAGYGMSSA-N 2 0 369.510 -0.642 20 0 FBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)CC1(C)C ZINC000419190208 484733855 /nfs/dbraw/zinc/73/38/55/484733855.db2.gz UZJXMRNRJAHTLU-INIZCTEOSA-N 2 0 361.490 -0.055 20 0 FBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)CC1(C)C ZINC000419190209 484734298 /nfs/dbraw/zinc/73/42/98/484734298.db2.gz UZJXMRNRJAHTLU-MRXNPFEDSA-N 2 0 361.490 -0.055 20 0 FBADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000419191231 484733528 /nfs/dbraw/zinc/73/35/28/484733528.db2.gz WERHINYSLXUSMK-HNNXBMFYSA-N 2 0 355.527 -0.040 20 0 FBADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000419191232 484733577 /nfs/dbraw/zinc/73/35/77/484733577.db2.gz WERHINYSLXUSMK-OAHLLOKOSA-N 2 0 355.527 -0.040 20 0 FBADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C(=O)N(CC[NH3+])CCO)CC1 ZINC000419191404 484734324 /nfs/dbraw/zinc/73/43/24/484734324.db2.gz OCBUZNMIHLIESR-UHFFFAOYSA-N 2 0 362.474 -0.145 20 0 FBADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000419192972 484734548 /nfs/dbraw/zinc/73/45/48/484734548.db2.gz QAOAYBZFPKCSRE-INIZCTEOSA-N 2 0 353.511 -0.271 20 0 FBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000419192973 484733873 /nfs/dbraw/zinc/73/38/73/484733873.db2.gz QAOAYBZFPKCSRE-MRXNPFEDSA-N 2 0 353.511 -0.271 20 0 FBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)NCC2([NH3+])CCCCC2)CC1(C)C ZINC000419193601 484733926 /nfs/dbraw/zinc/73/39/26/484733926.db2.gz ZKVRSVGEJXNACH-UHFFFAOYSA-N 2 0 353.511 -0.094 20 0 FBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1(C)C ZINC000419193622 484734000 /nfs/dbraw/zinc/73/40/00/484734000.db2.gz ZNLQHVNCEDHEJF-CABCVRRESA-N 2 0 353.511 -0.238 20 0 FBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1(C)C ZINC000419193623 484733618 /nfs/dbraw/zinc/73/36/18/484733618.db2.gz ZNLQHVNCEDHEJF-GJZGRUSLSA-N 2 0 353.511 -0.238 20 0 FBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1(C)C ZINC000419193625 484733651 /nfs/dbraw/zinc/73/36/51/484733651.db2.gz ZNLQHVNCEDHEJF-HUUCEWRRSA-N 2 0 353.511 -0.238 20 0 FBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1(C)C ZINC000419193627 484734605 /nfs/dbraw/zinc/73/46/05/484734605.db2.gz ZNLQHVNCEDHEJF-LSDHHAIUSA-N 2 0 353.511 -0.238 20 0 FBADRP C[C@@H]1CCCN(C(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)[C@@H]1C[NH3+] ZINC000419195095 484734346 /nfs/dbraw/zinc/73/43/46/484734346.db2.gz UKZSFMHJEFHDTB-GDBMZVCRSA-N 2 0 353.511 -0.286 20 0 FBADRP C[C@H]1CCCN(C(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)[C@@H]1C[NH3+] ZINC000419195097 484733974 /nfs/dbraw/zinc/73/39/74/484733974.db2.gz UKZSFMHJEFHDTB-GOEBONIOSA-N 2 0 353.511 -0.286 20 0 FBADRP C[C@H]1CCCN(C(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)[C@H]1C[NH3+] ZINC000419195099 484733948 /nfs/dbraw/zinc/73/39/48/484733948.db2.gz UKZSFMHJEFHDTB-HOCLYGCPSA-N 2 0 353.511 -0.286 20 0 FBADRP C[C@@H]1CCCN(C(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)[C@H]1C[NH3+] ZINC000419195100 484734499 /nfs/dbraw/zinc/73/44/99/484734499.db2.gz UKZSFMHJEFHDTB-ZBFHGGJFSA-N 2 0 353.511 -0.286 20 0 FBADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](CCc3ccccc3)CC2)CCO1 ZINC000419197730 484729396 /nfs/dbraw/zinc/72/93/96/484729396.db2.gz YHTNTQWFZDJPNK-GOSISDBHSA-N 2 0 374.485 -0.004 20 0 FBADRP [NH3+]C[C@H]1CN(C(=O)C(=O)NC2CC[NH+](CCc3ccccc3)CC2)CCO1 ZINC000419197732 484728488 /nfs/dbraw/zinc/72/84/88/484728488.db2.gz YHTNTQWFZDJPNK-SFHVURJKSA-N 2 0 374.485 -0.004 20 0 FBADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000419198656 484729232 /nfs/dbraw/zinc/72/92/32/484729232.db2.gz CAMDQBPNWMCQLW-AWEZNQCLSA-N 2 0 360.462 -0.730 20 0 FBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000419198657 484729326 /nfs/dbraw/zinc/72/93/26/484729326.db2.gz CAMDQBPNWMCQLW-CQSZACIVSA-N 2 0 360.462 -0.730 20 0 FBADRP C[NH+]1CCN(c2cc(CNC(=O)C(=O)N3CC[NH2+]C(C)(C)C3)ccn2)CC1 ZINC000419202147 484728640 /nfs/dbraw/zinc/72/86/40/484728640.db2.gz GFYBAGYHKPIPGR-UHFFFAOYSA-N 2 0 374.489 -0.340 20 0 FBADRP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)c1 ZINC000419203639 484728506 /nfs/dbraw/zinc/72/85/06/484728506.db2.gz HXGZKTRYGIBODM-INIZCTEOSA-N 2 0 364.446 -0.571 20 0 FBADRP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)c1 ZINC000419203640 484729277 /nfs/dbraw/zinc/72/92/77/484729277.db2.gz HXGZKTRYGIBODM-MRXNPFEDSA-N 2 0 364.446 -0.571 20 0 FBADRP C[NH+]1CCN(c2cc(CNC(=O)C(=O)N3CCCC[C@H]3C[NH3+])ccn2)CC1 ZINC000419204558 484728830 /nfs/dbraw/zinc/72/88/30/484728830.db2.gz JEYUINUEGCNGKR-INIZCTEOSA-N 2 0 374.489 -0.211 20 0 FBADRP C[NH+]1CCN(c2cc(CNC(=O)C(=O)N3CCCC[C@@H]3C[NH3+])ccn2)CC1 ZINC000419204561 484729186 /nfs/dbraw/zinc/72/91/86/484729186.db2.gz JEYUINUEGCNGKR-MRXNPFEDSA-N 2 0 374.489 -0.211 20 0 FBADRP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)cc1 ZINC000419205319 484729202 /nfs/dbraw/zinc/72/92/02/484729202.db2.gz JWLVQYYCKCXMOI-INIZCTEOSA-N 2 0 364.446 -0.571 20 0 FBADRP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)cc1 ZINC000419205320 484728784 /nfs/dbraw/zinc/72/87/84/484728784.db2.gz JWLVQYYCKCXMOI-MRXNPFEDSA-N 2 0 364.446 -0.571 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CC[NH2+]1 ZINC000419205832 484728859 /nfs/dbraw/zinc/72/88/59/484728859.db2.gz LTGMFMQXKIASTI-AWEZNQCLSA-N 2 0 360.462 -0.730 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CC[NH2+]1 ZINC000419205833 484729259 /nfs/dbraw/zinc/72/92/59/484729259.db2.gz LTGMFMQXKIASTI-CQSZACIVSA-N 2 0 360.462 -0.730 20 0 FBADRP O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000419208318 484730448 /nfs/dbraw/zinc/73/04/48/484730448.db2.gz OFBOOWPEBQXWTG-DLBZAZTESA-N 2 0 360.458 -0.128 20 0 FBADRP O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000419208319 484730572 /nfs/dbraw/zinc/73/05/72/484730572.db2.gz OFBOOWPEBQXWTG-IAGOWNOFSA-N 2 0 360.458 -0.128 20 0 FBADRP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000419208320 484730542 /nfs/dbraw/zinc/73/05/42/484730542.db2.gz OFBOOWPEBQXWTG-IRXDYDNUSA-N 2 0 360.458 -0.128 20 0 FBADRP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000419208321 484730977 /nfs/dbraw/zinc/73/09/77/484730977.db2.gz OFBOOWPEBQXWTG-SJORKVTESA-N 2 0 360.458 -0.128 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)[C@@H](C)C[NH2+]1 ZINC000419212150 484730822 /nfs/dbraw/zinc/73/08/22/484730822.db2.gz ZFYHTEIBCAHLGV-CABCVRRESA-N 2 0 374.489 -0.342 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)[C@@H](C)C[NH2+]1 ZINC000419212151 484731045 /nfs/dbraw/zinc/73/10/45/484731045.db2.gz ZFYHTEIBCAHLGV-GJZGRUSLSA-N 2 0 374.489 -0.342 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)[C@H](C)C[NH2+]1 ZINC000419212152 484730510 /nfs/dbraw/zinc/73/05/10/484730510.db2.gz ZFYHTEIBCAHLGV-HUUCEWRRSA-N 2 0 374.489 -0.342 20 0 FBADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000419212154 484730214 /nfs/dbraw/zinc/73/02/14/484730214.db2.gz ZFYHTEIBCAHLGV-LSDHHAIUSA-N 2 0 374.489 -0.342 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C[C@H](C)[NH2+]1 ZINC000419212370 484730237 /nfs/dbraw/zinc/73/02/37/484730237.db2.gz ZWZVJVZWWVKVLG-GASCZTMLSA-N 2 0 374.489 -0.342 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C[C@H](C)[NH2+]1 ZINC000419212371 484730788 /nfs/dbraw/zinc/73/07/88/484730788.db2.gz ZWZVJVZWWVKVLG-GJZGRUSLSA-N 2 0 374.489 -0.342 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C[C@@H](C)[NH2+]1 ZINC000419212372 484730676 /nfs/dbraw/zinc/73/06/76/484730676.db2.gz ZWZVJVZWWVKVLG-HUUCEWRRSA-N 2 0 374.489 -0.342 20 0 FBADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C(=O)N(CC[NH3+])CCO ZINC000419212480 484730828 /nfs/dbraw/zinc/73/08/28/484730828.db2.gz KHNBREWKPZBCMP-UHFFFAOYSA-N 2 0 350.463 -0.077 20 0 FBADRP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000419212840 484730587 /nfs/dbraw/zinc/73/05/87/484730587.db2.gz KNWOOSONDNNQLQ-IYBDPMFKSA-N 2 0 360.458 -0.079 20 0 FBADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000419213886 484730738 /nfs/dbraw/zinc/73/07/38/484730738.db2.gz WYLZLYBYOGMJGX-DLBZAZTESA-N 2 0 360.458 -0.047 20 0 FBADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000419213887 484730557 /nfs/dbraw/zinc/73/05/57/484730557.db2.gz WYLZLYBYOGMJGX-IAGOWNOFSA-N 2 0 360.458 -0.047 20 0 FBADRP [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000419213888 484730721 /nfs/dbraw/zinc/73/07/21/484730721.db2.gz WYLZLYBYOGMJGX-IRXDYDNUSA-N 2 0 360.458 -0.047 20 0 FBADRP [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000419213889 484730411 /nfs/dbraw/zinc/73/04/11/484730411.db2.gz WYLZLYBYOGMJGX-SJORKVTESA-N 2 0 360.458 -0.047 20 0 FBADRP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000419213991 484730536 /nfs/dbraw/zinc/73/05/36/484730536.db2.gz LXKMRBUSTDGXJT-IYBDPMFKSA-N 2 0 360.458 -0.079 20 0 FBADRP O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000419215095 484730388 /nfs/dbraw/zinc/73/03/88/484730388.db2.gz YNNWJHIODXGISN-GOSISDBHSA-N 2 0 373.501 -0.211 20 0 FBADRP O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000419215096 484730317 /nfs/dbraw/zinc/73/03/17/484730317.db2.gz YNNWJHIODXGISN-SFHVURJKSA-N 2 0 373.501 -0.211 20 0 FBADRP CC1=CC[N@H+](CCNC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CC1 ZINC000419217409 484732151 /nfs/dbraw/zinc/73/21/51/484732151.db2.gz DKHBGMXLOAYGGV-HNNXBMFYSA-N 2 0 365.478 -0.932 20 0 FBADRP CC1=CC[N@H+](CCNC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CC1 ZINC000419217410 484731815 /nfs/dbraw/zinc/73/18/15/484731815.db2.gz DKHBGMXLOAYGGV-OAHLLOKOSA-N 2 0 365.478 -0.932 20 0 FBADRP O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000419220991 484731951 /nfs/dbraw/zinc/73/19/51/484731951.db2.gz AKIDQHKSZCCQCF-INIZCTEOSA-N 2 0 351.495 -0.612 20 0 FBADRP O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000419220992 484732852 /nfs/dbraw/zinc/73/28/52/484732852.db2.gz AKIDQHKSZCCQCF-MRXNPFEDSA-N 2 0 351.495 -0.612 20 0 FBADRP [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CCCO1 ZINC000419223058 484732114 /nfs/dbraw/zinc/73/21/14/484732114.db2.gz CEDZQJXLVCWNIM-CVEARBPZSA-N 2 0 352.479 -0.057 20 0 FBADRP [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CCCO1 ZINC000419223059 484733155 /nfs/dbraw/zinc/73/31/55/484733155.db2.gz CEDZQJXLVCWNIM-HOTGVXAUSA-N 2 0 352.479 -0.057 20 0 FBADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CCCO1 ZINC000419223060 484733033 /nfs/dbraw/zinc/73/30/33/484733033.db2.gz CEDZQJXLVCWNIM-HZPDHXFCSA-N 2 0 352.479 -0.057 20 0 FBADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CCCO1 ZINC000419223061 484732675 /nfs/dbraw/zinc/73/26/75/484732675.db2.gz CEDZQJXLVCWNIM-JKSUJKDBSA-N 2 0 352.479 -0.057 20 0 FBADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N(CC[NH3+])CCO ZINC000419227505 484732580 /nfs/dbraw/zinc/73/25/80/484732580.db2.gz KOZDHXMHOIUNJM-DOTOQJQBSA-N 2 0 362.474 -0.207 20 0 FBADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N(CC[NH3+])CCO ZINC000419227506 484732878 /nfs/dbraw/zinc/73/28/78/484732878.db2.gz KOZDHXMHOIUNJM-NVXWUHKLSA-N 2 0 362.474 -0.207 20 0 FBADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N(CC[NH3+])CCO ZINC000419227507 484732090 /nfs/dbraw/zinc/73/20/90/484732090.db2.gz KOZDHXMHOIUNJM-RDJZCZTQSA-N 2 0 362.474 -0.207 20 0 FBADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N(CC[NH3+])CCO ZINC000419227508 484731894 /nfs/dbraw/zinc/73/18/94/484731894.db2.gz KOZDHXMHOIUNJM-WBVHZDCISA-N 2 0 362.474 -0.207 20 0 FBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000419235771 484735419 /nfs/dbraw/zinc/73/54/19/484735419.db2.gz ZNBFYQAOGWKFQK-CVEARBPZSA-N 2 0 352.479 -0.138 20 0 FBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000419235773 484736335 /nfs/dbraw/zinc/73/63/35/484736335.db2.gz ZNBFYQAOGWKFQK-HOTGVXAUSA-N 2 0 352.479 -0.138 20 0 FBADRP O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000419235775 484735401 /nfs/dbraw/zinc/73/54/01/484735401.db2.gz ZNBFYQAOGWKFQK-HZPDHXFCSA-N 2 0 352.479 -0.138 20 0 FBADRP O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000419235778 484735082 /nfs/dbraw/zinc/73/50/82/484735082.db2.gz ZNBFYQAOGWKFQK-JKSUJKDBSA-N 2 0 352.479 -0.138 20 0 FBADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CCC1 ZINC000419241153 484736052 /nfs/dbraw/zinc/73/60/52/484736052.db2.gz PXTXXAYWXFWGQC-AWEZNQCLSA-N 2 0 367.494 -0.567 20 0 FBADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CCC1 ZINC000419241154 484736282 /nfs/dbraw/zinc/73/62/82/484736282.db2.gz PXTXXAYWXFWGQC-CQSZACIVSA-N 2 0 367.494 -0.567 20 0 FBADRP O=C(NCCN1CC[NH2+]CC1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000419268380 484733692 /nfs/dbraw/zinc/73/36/92/484733692.db2.gz MLNZCAGSEITMKQ-UHFFFAOYSA-N 2 0 373.501 -0.080 20 0 FBADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000419284592 484742033 /nfs/dbraw/zinc/74/20/33/484742033.db2.gz LQOJMZRMTJKCPC-AWEZNQCLSA-N 2 0 355.483 -0.852 20 0 FBADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000419284593 484742722 /nfs/dbraw/zinc/74/27/22/484742722.db2.gz LQOJMZRMTJKCPC-CQSZACIVSA-N 2 0 355.483 -0.852 20 0 FBADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)NCCC[NH3+])CC1 ZINC000419325237 484742546 /nfs/dbraw/zinc/74/25/46/484742546.db2.gz AXLHXOCMTDBHAS-UHFFFAOYSA-N 2 0 361.490 -0.095 20 0 FBADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)NCC[NH2+]C)CC1 ZINC000419325806 484742583 /nfs/dbraw/zinc/74/25/83/484742583.db2.gz BOZDAFMDUVDCAV-UHFFFAOYSA-N 2 0 361.490 -0.224 20 0 FBADRP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CC[NH2+][C@@H](C)C3)cn2)CC1 ZINC000419329437 484747924 /nfs/dbraw/zinc/74/79/24/484747924.db2.gz FIIGJDTZMQHFJO-HNNXBMFYSA-N 2 0 374.489 -0.340 20 0 FBADRP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CC[NH2+][C@H](C)C3)cn2)CC1 ZINC000419329438 484747993 /nfs/dbraw/zinc/74/79/93/484747993.db2.gz FIIGJDTZMQHFJO-OAHLLOKOSA-N 2 0 374.489 -0.340 20 0 FBADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)N3CC[C@@H]([NH3+])C3)cc2)CC1 ZINC000419329968 484742267 /nfs/dbraw/zinc/74/22/67/484742267.db2.gz FPEIHSVPKHWKDI-GOSISDBHSA-N 2 0 373.501 0.000 20 0 FBADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)N3CC[C@H]([NH3+])C3)cc2)CC1 ZINC000419329969 484741591 /nfs/dbraw/zinc/74/15/91/484741591.db2.gz FPEIHSVPKHWKDI-SFHVURJKSA-N 2 0 373.501 0.000 20 0 FBADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC000419333817 484741908 /nfs/dbraw/zinc/74/19/08/484741908.db2.gz IODYTDSLEHRMFA-GOSISDBHSA-N 2 0 373.501 0.000 20 0 FBADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000419333818 484741711 /nfs/dbraw/zinc/74/17/11/484741711.db2.gz IODYTDSLEHRMFA-SFHVURJKSA-N 2 0 373.501 0.000 20 0 FBADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)N(C)CC[NH3+])CC1 ZINC000419333833 484742084 /nfs/dbraw/zinc/74/20/84/484742084.db2.gz IQDCREWGKOEANR-UHFFFAOYSA-N 2 0 361.490 -0.143 20 0 FBADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)NCCC[NH3+])cc2)CC1 ZINC000419335138 484742330 /nfs/dbraw/zinc/74/23/30/484742330.db2.gz JLADJDATNPNOPI-UHFFFAOYSA-N 2 0 361.490 -0.095 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2C[C@@H](C)[NH+](CCO)C[C@@H]2C)C1 ZINC000419336236 484742218 /nfs/dbraw/zinc/74/22/18/484742218.db2.gz XCLXMVCDLZGSSI-FGTMMUONSA-N 2 0 370.538 -0.154 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2C[C@@H](C)[NH+](CCO)C[C@H]2C)C1 ZINC000419336240 484741366 /nfs/dbraw/zinc/74/13/66/484741366.db2.gz XCLXMVCDLZGSSI-KZNAEPCWSA-N 2 0 370.538 -0.154 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2C[C@H](C)[NH+](CCO)C[C@@H]2C)C1 ZINC000419336242 484741407 /nfs/dbraw/zinc/74/14/07/484741407.db2.gz XCLXMVCDLZGSSI-OKZBNKHCSA-N 2 0 370.538 -0.154 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2C[C@H](C)[NH+](CCO)C[C@H]2C)C1 ZINC000419336244 484742142 /nfs/dbraw/zinc/74/21/42/484742142.db2.gz XCLXMVCDLZGSSI-RCCFBDPRSA-N 2 0 370.538 -0.154 20 0 FBADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)N[C@@H](C)C[NH3+])CC1 ZINC000419336467 484742685 /nfs/dbraw/zinc/74/26/85/484742685.db2.gz KLRJZDDCKWJJCB-HNNXBMFYSA-N 2 0 361.490 -0.096 20 0 FBADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)N[C@H](C)C[NH3+])CC1 ZINC000419336468 484741458 /nfs/dbraw/zinc/74/14/58/484741458.db2.gz KLRJZDDCKWJJCB-OAHLLOKOSA-N 2 0 361.490 -0.096 20 0 FBADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)N3CC[NH2+]CC3)cc2)CC1 ZINC000419337167 484742288 /nfs/dbraw/zinc/74/22/88/484742288.db2.gz KQRWPDRTYGTDML-UHFFFAOYSA-N 2 0 373.501 -0.128 20 0 FBADRP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CC[NH2+]C[C@@H]3C)cn2)CC1 ZINC000419340922 484742508 /nfs/dbraw/zinc/74/25/08/484742508.db2.gz NRZIKABSFGCRCP-HNNXBMFYSA-N 2 0 374.489 -0.340 20 0 FBADRP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CC[NH2+]C[C@H]3C)cn2)CC1 ZINC000419340924 484741521 /nfs/dbraw/zinc/74/15/21/484741521.db2.gz NRZIKABSFGCRCP-OAHLLOKOSA-N 2 0 374.489 -0.340 20 0 FBADRP CCC([NH3+])(CC)CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000419341972 484743467 /nfs/dbraw/zinc/74/34/67/484743467.db2.gz BJJCOWMRRHCLME-CYBMUJFWSA-N 2 0 355.483 -0.676 20 0 FBADRP CCC([NH3+])(CC)CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000419341973 484743773 /nfs/dbraw/zinc/74/37/73/484743773.db2.gz BJJCOWMRRHCLME-ZDUSSCGKSA-N 2 0 355.483 -0.676 20 0 FBADRP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CC[C@H]([NH2+]C)C3)cn2)CC1 ZINC000419342075 484743796 /nfs/dbraw/zinc/74/37/96/484743796.db2.gz OWFCKGUTBGFNKB-INIZCTEOSA-N 2 0 374.489 -0.340 20 0 FBADRP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CC[C@@H]([NH2+]C)C3)cn2)CC1 ZINC000419342076 484744313 /nfs/dbraw/zinc/74/43/13/484744313.db2.gz OWFCKGUTBGFNKB-MRXNPFEDSA-N 2 0 374.489 -0.340 20 0 FBADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)N[C@@H](C)C[NH3+])cc2)CC1 ZINC000419342653 484744553 /nfs/dbraw/zinc/74/45/53/484744553.db2.gz PQXFPJPBIVWESP-HNNXBMFYSA-N 2 0 361.490 -0.096 20 0 FBADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)N[C@H](C)C[NH3+])cc2)CC1 ZINC000419342654 484744712 /nfs/dbraw/zinc/74/47/12/484744712.db2.gz PQXFPJPBIVWESP-OAHLLOKOSA-N 2 0 361.490 -0.096 20 0 FBADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)N[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000419342967 484744849 /nfs/dbraw/zinc/74/48/49/484744849.db2.gz QEVBVHVPEABOMQ-GOSISDBHSA-N 2 0 373.501 -0.082 20 0 FBADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)N[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000419342968 484743786 /nfs/dbraw/zinc/74/37/86/484743786.db2.gz QEVBVHVPEABOMQ-SFHVURJKSA-N 2 0 373.501 -0.082 20 0 FBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC000419343051 484743646 /nfs/dbraw/zinc/74/36/46/484743646.db2.gz DUZKKFSGZXVVEB-KFWWJZLASA-N 2 0 365.478 -0.957 20 0 FBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC000419343053 484744495 /nfs/dbraw/zinc/74/44/95/484744495.db2.gz DUZKKFSGZXVVEB-SOUVJXGZSA-N 2 0 365.478 -0.957 20 0 FBADRP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CCC[C@@H]3C[NH3+])cn2)CC1 ZINC000419343677 484743871 /nfs/dbraw/zinc/74/38/71/484743871.db2.gz QXUZKSVMDAUVOZ-MRXNPFEDSA-N 2 0 374.489 -0.211 20 0 FBADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000419343930 484743605 /nfs/dbraw/zinc/74/36/05/484743605.db2.gz HGAPYWWZYVXALP-CABCVRRESA-N 2 0 367.494 -0.710 20 0 FBADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000419343931 484743487 /nfs/dbraw/zinc/74/34/87/484743487.db2.gz HGAPYWWZYVXALP-GJZGRUSLSA-N 2 0 367.494 -0.710 20 0 FBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000419343932 484744336 /nfs/dbraw/zinc/74/43/36/484744336.db2.gz HGAPYWWZYVXALP-HUUCEWRRSA-N 2 0 367.494 -0.710 20 0 FBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000419343933 484744094 /nfs/dbraw/zinc/74/40/94/484744094.db2.gz HGAPYWWZYVXALP-LSDHHAIUSA-N 2 0 367.494 -0.710 20 0 FBADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000419344468 484743730 /nfs/dbraw/zinc/74/37/30/484743730.db2.gz ICKUIFFKCFUFOF-KKUMJFAQSA-N 2 0 367.494 -0.582 20 0 FBADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000419344469 484744474 /nfs/dbraw/zinc/74/44/74/484744474.db2.gz ICKUIFFKCFUFOF-RRFJBIMHSA-N 2 0 367.494 -0.582 20 0 FBADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000419344470 484744059 /nfs/dbraw/zinc/74/40/59/484744059.db2.gz ICKUIFFKCFUFOF-SOUVJXGZSA-N 2 0 367.494 -0.582 20 0 FBADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000419344471 484743631 /nfs/dbraw/zinc/74/36/31/484743631.db2.gz ICKUIFFKCFUFOF-ZNMIVQPWSA-N 2 0 367.494 -0.582 20 0 FBADRP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CCC[NH2+]CC3)cn2)CC1 ZINC000419344622 484744180 /nfs/dbraw/zinc/74/41/80/484744180.db2.gz SGFFMAOVZCQBHB-UHFFFAOYSA-N 2 0 374.489 -0.338 20 0 FBADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000419344979 484744278 /nfs/dbraw/zinc/74/42/78/484744278.db2.gz JMMZBXKJWPKFES-KBPBESRZSA-N 2 0 355.483 -0.820 20 0 FBADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000419344980 484743950 /nfs/dbraw/zinc/74/39/50/484743950.db2.gz JMMZBXKJWPKFES-KGLIPLIRSA-N 2 0 355.483 -0.820 20 0 FBADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000419344981 484744410 /nfs/dbraw/zinc/74/44/10/484744410.db2.gz JMMZBXKJWPKFES-UONOGXRCSA-N 2 0 355.483 -0.820 20 0 FBADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000419344982 484743918 /nfs/dbraw/zinc/74/39/18/484743918.db2.gz JMMZBXKJWPKFES-ZIAGYGMSSA-N 2 0 355.483 -0.820 20 0 FBADRP C[C@@H]1CCCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)[C@H]1C[NH3+] ZINC000419345506 484743822 /nfs/dbraw/zinc/74/38/22/484743822.db2.gz LFGRGJMWUFGEAF-ILXRZTDVSA-N 2 0 367.494 -0.724 20 0 FBADRP C[C@@H]1CCCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)[C@H]1C[NH3+] ZINC000419345507 484743845 /nfs/dbraw/zinc/74/38/45/484743845.db2.gz LFGRGJMWUFGEAF-KFWWJZLASA-N 2 0 367.494 -0.724 20 0 FBADRP C[C@@H]1CCCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)[C@@H]1C[NH3+] ZINC000419345508 484744441 /nfs/dbraw/zinc/74/44/41/484744441.db2.gz LFGRGJMWUFGEAF-QLFBSQMISA-N 2 0 367.494 -0.724 20 0 FBADRP C[C@@H]1CCCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)[C@@H]1C[NH3+] ZINC000419345509 484744072 /nfs/dbraw/zinc/74/40/72/484744072.db2.gz LFGRGJMWUFGEAF-RBSFLKMASA-N 2 0 367.494 -0.724 20 0 FBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)NCC2([NH3+])CCCCC2)C1 ZINC000419345697 484744639 /nfs/dbraw/zinc/74/46/39/484744639.db2.gz LROJQJCJRCYRIE-AWEZNQCLSA-N 2 0 367.494 -0.532 20 0 FBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)NCC2([NH3+])CCCCC2)C1 ZINC000419345698 484743739 /nfs/dbraw/zinc/74/37/39/484743739.db2.gz LROJQJCJRCYRIE-CQSZACIVSA-N 2 0 367.494 -0.532 20 0 FBADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)N(C)CC[NH3+])cc2)CC1 ZINC000419346091 484743689 /nfs/dbraw/zinc/74/36/89/484743689.db2.gz UVDVNGVLXMYQNO-UHFFFAOYSA-N 2 0 361.490 -0.143 20 0 FBADRP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CCC[C@H]([NH3+])C3)cn2)CC1 ZINC000419346093 484743973 /nfs/dbraw/zinc/74/39/73/484743973.db2.gz UVNIKSFZMFOENA-INIZCTEOSA-N 2 0 374.489 -0.211 20 0 FBADRP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CCC[C@@H]([NH3+])C3)cn2)CC1 ZINC000419346094 484744163 /nfs/dbraw/zinc/74/41/63/484744163.db2.gz UVNIKSFZMFOENA-MRXNPFEDSA-N 2 0 374.489 -0.211 20 0 FBADRP C[NH2+][C@H]1CCN(C(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000419348523 484743812 /nfs/dbraw/zinc/74/38/12/484743812.db2.gz BGYRUDBDWRWULS-INIZCTEOSA-N 3 0 374.489 -0.470 20 0 FBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000419348524 484744682 /nfs/dbraw/zinc/74/46/82/484744682.db2.gz BGYRUDBDWRWULS-MRXNPFEDSA-N 3 0 374.489 -0.470 20 0 FBADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000419348660 484745323 /nfs/dbraw/zinc/74/53/23/484745323.db2.gz XVZCENSGYGMTPN-GOSISDBHSA-N 2 0 373.501 -0.082 20 0 FBADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000419348661 484746391 /nfs/dbraw/zinc/74/63/91/484746391.db2.gz XVZCENSGYGMTPN-SFHVURJKSA-N 2 0 373.501 -0.082 20 0 FBADRP [NH3+]C1(CNC(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCC1 ZINC000419348896 484745844 /nfs/dbraw/zinc/74/58/44/484745844.db2.gz CGBYHBKPWUOSSA-UHFFFAOYSA-N 3 0 374.489 -0.293 20 0 FBADRP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3C[C@@H](C)[C@H]([NH3+])C3)cn2)CC1 ZINC000419349082 484745393 /nfs/dbraw/zinc/74/53/93/484745393.db2.gz YCMMNTVQDZBYOO-GDBMZVCRSA-N 2 0 374.489 -0.355 20 0 FBADRP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CC[NH2+]CC3)cn2)CC1 ZINC000419349134 484746029 /nfs/dbraw/zinc/74/60/29/484746029.db2.gz YISLUTMELJDYQW-UHFFFAOYSA-N 2 0 360.462 -0.729 20 0 FBADRP COCC[N@H+](C)CCNC(=O)C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000419349336 484746448 /nfs/dbraw/zinc/74/64/48/484746448.db2.gz DDJIGCRPZXBCTF-UHFFFAOYSA-N 2 0 366.506 -0.049 20 0 FBADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)N2CC[NH2+]CC2)CC1 ZINC000419349451 484745887 /nfs/dbraw/zinc/74/58/87/484745887.db2.gz YKKVFUAITSVTJR-UHFFFAOYSA-N 2 0 373.501 -0.128 20 0 FBADRP CC(C)([NH3+])CNC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000419349844 484746564 /nfs/dbraw/zinc/74/65/64/484746564.db2.gz DTFKXGGUOIYSNA-UHFFFAOYSA-N 3 0 362.478 -0.437 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C[C@H]1[NH3+] ZINC000419349883 484746053 /nfs/dbraw/zinc/74/60/53/484746053.db2.gz DXLCMYWYRAAYPP-NVXWUHKLSA-N 3 0 374.489 -0.485 20 0 FBADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)NCC[NH2+]C)cc2)CC1 ZINC000419350124 484746467 /nfs/dbraw/zinc/74/64/67/484746467.db2.gz ZBYXJVCHUOYKSX-UHFFFAOYSA-N 2 0 361.490 -0.224 20 0 FBADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000419350946 484745453 /nfs/dbraw/zinc/74/54/53/484745453.db2.gz GNZGEVZWJLTATD-INIZCTEOSA-N 3 0 374.489 -0.470 20 0 FBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000419350949 484745435 /nfs/dbraw/zinc/74/54/35/484745435.db2.gz GNZGEVZWJLTATD-MRXNPFEDSA-N 3 0 374.489 -0.470 20 0 FBADRP C[NH2+]CCN(C)C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000419350951 483676159 /nfs/dbraw/zinc/67/61/59/483676159.db2.gz GOEICMUUMCJSJD-UHFFFAOYSA-N 3 0 362.478 -0.612 20 0 FBADRP [NH3+]C[C@H](NC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000419351232 484745653 /nfs/dbraw/zinc/74/56/53/484745653.db2.gz GUDWPLMWALEULE-KRWDZBQOSA-N 3 0 374.489 -0.437 20 0 FBADRP [NH3+]C[C@@H](NC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000419351233 484745779 /nfs/dbraw/zinc/74/57/79/484745779.db2.gz GUDWPLMWALEULE-QGZVFWFLSA-N 3 0 374.489 -0.437 20 0 FBADRP C[NH2+]CCCNC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000419351242 484746174 /nfs/dbraw/zinc/74/61/74/484746174.db2.gz GWJHJCSORODAQN-UHFFFAOYSA-N 3 0 362.478 -0.564 20 0 FBADRP C[C@@H](CC[NH3+])NC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000419351520 484746222 /nfs/dbraw/zinc/74/62/22/484746222.db2.gz HHWQDAIQTALZFD-HNNXBMFYSA-N 3 0 362.478 -0.437 20 0 FBADRP C[C@H](CC[NH3+])NC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000419351521 484746090 /nfs/dbraw/zinc/74/60/90/484746090.db2.gz HHWQDAIQTALZFD-OAHLLOKOSA-N 3 0 362.478 -0.437 20 0 FBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)C1 ZINC000419352592 484745672 /nfs/dbraw/zinc/74/56/72/484745672.db2.gz ZTOWGXNQOUXLKL-CABCVRRESA-N 2 0 367.494 -0.676 20 0 FBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)C1 ZINC000419352593 484745953 /nfs/dbraw/zinc/74/59/53/484745953.db2.gz ZTOWGXNQOUXLKL-GJZGRUSLSA-N 2 0 367.494 -0.676 20 0 FBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)C1 ZINC000419352596 484745536 /nfs/dbraw/zinc/74/55/36/484745536.db2.gz ZTOWGXNQOUXLKL-HUUCEWRRSA-N 2 0 367.494 -0.676 20 0 FBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)C1 ZINC000419352599 484745251 /nfs/dbraw/zinc/74/52/51/484745251.db2.gz ZTOWGXNQOUXLKL-LSDHHAIUSA-N 2 0 367.494 -0.676 20 0 FBADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000419353540 484746269 /nfs/dbraw/zinc/74/62/69/484746269.db2.gz JUSUJWZJOBCPRA-HNNXBMFYSA-N 3 0 362.478 -0.485 20 0 FBADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000419353541 484745990 /nfs/dbraw/zinc/74/59/90/484745990.db2.gz JUSUJWZJOBCPRA-OAHLLOKOSA-N 3 0 362.478 -0.485 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC[NH2+]1 ZINC000419353647 484746503 /nfs/dbraw/zinc/74/65/03/484746503.db2.gz JYZYCLWYDRQDOD-INIZCTEOSA-N 3 0 374.489 -0.470 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC[NH2+]1 ZINC000419353651 484746594 /nfs/dbraw/zinc/74/65/94/484746594.db2.gz JYZYCLWYDRQDOD-MRXNPFEDSA-N 3 0 374.489 -0.470 20 0 FBADRP [NH3+]C[C@H]1CCCN1C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000419353770 484746319 /nfs/dbraw/zinc/74/63/19/484746319.db2.gz KEYXSBPXRKEAFC-QGZVFWFLSA-N 3 0 374.489 -0.340 20 0 FBADRP [NH3+][C@H]1CCCN(C(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000419354055 484745220 /nfs/dbraw/zinc/74/52/20/484745220.db2.gz KILQGZWSYOVGLV-INIZCTEOSA-N 3 0 374.489 -0.340 20 0 FBADRP [NH3+][C@@H]1CCCN(C(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000419354056 484745417 /nfs/dbraw/zinc/74/54/17/484745417.db2.gz KILQGZWSYOVGLV-MRXNPFEDSA-N 3 0 374.489 -0.340 20 0 FBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419354974 484746000 /nfs/dbraw/zinc/74/60/00/484746000.db2.gz LPUUGIXSDOGPNM-INIZCTEOSA-N 3 0 374.489 -0.422 20 0 FBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419354975 484746678 /nfs/dbraw/zinc/74/66/78/484746678.db2.gz LPUUGIXSDOGPNM-MRXNPFEDSA-N 3 0 374.489 -0.422 20 0 FBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)N1CC[NH2+]CC1 ZINC000419355704 484745730 /nfs/dbraw/zinc/74/57/30/484745730.db2.gz MJIDWQNTENSURR-UHFFFAOYSA-N 3 0 360.462 -0.858 20 0 FBADRP CC[NH2+]CCNC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000419355901 484745754 /nfs/dbraw/zinc/74/57/54/484745754.db2.gz MNYAKWYPCUXXJN-UHFFFAOYSA-N 3 0 362.478 -0.564 20 0 FBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419357300 484745921 /nfs/dbraw/zinc/74/59/21/484745921.db2.gz NZUWAYHPEVFAMA-INIZCTEOSA-N 3 0 374.489 -0.422 20 0 FBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419357302 484746708 /nfs/dbraw/zinc/74/67/08/484746708.db2.gz NZUWAYHPEVFAMA-MRXNPFEDSA-N 3 0 374.489 -0.422 20 0 FBADRP C[C@@H](C[NH3+])CNC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000419359326 484747613 /nfs/dbraw/zinc/74/76/13/484747613.db2.gz QIHLQYRKNGQVSX-HNNXBMFYSA-N 3 0 362.478 -0.579 20 0 FBADRP C[C@H](C[NH3+])CNC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000419359328 484747332 /nfs/dbraw/zinc/74/73/32/484747332.db2.gz QIHLQYRKNGQVSX-OAHLLOKOSA-N 3 0 362.478 -0.579 20 0 FBADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)Cc2ccccc2C1 ZINC000419362232 484747651 /nfs/dbraw/zinc/74/76/51/484747651.db2.gz BLYILWFXYDIQAM-KRWDZBQOSA-N 2 0 374.485 -0.222 20 0 FBADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)Cc2ccccc2C1 ZINC000419362234 484747982 /nfs/dbraw/zinc/74/79/82/484747982.db2.gz BLYILWFXYDIQAM-QGZVFWFLSA-N 2 0 374.485 -0.222 20 0 FBADRP C[NH+](C)C1(CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)Cc2ccccc2C1 ZINC000419364219 484747884 /nfs/dbraw/zinc/74/78/84/484747884.db2.gz DSUKPFSXOKVYJW-KRWDZBQOSA-N 2 0 374.485 -0.304 20 0 FBADRP C[NH+](C)C1(CNC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)Cc2ccccc2C1 ZINC000419364222 484747570 /nfs/dbraw/zinc/74/75/70/484747570.db2.gz DSUKPFSXOKVYJW-QGZVFWFLSA-N 2 0 374.485 -0.304 20 0 FBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)N1CCC[NH2+]CC1 ZINC000419364376 484748401 /nfs/dbraw/zinc/74/84/01/484748401.db2.gz WIDSCUJSDUKDND-UHFFFAOYSA-N 3 0 374.489 -0.468 20 0 FBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000419364816 484747844 /nfs/dbraw/zinc/74/78/44/484747844.db2.gz WYRZWSPZZYUYIE-JKSUJKDBSA-N 2 0 366.437 -0.227 20 0 FBADRP [NH3+][C@@H](CNC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000419365400 484748025 /nfs/dbraw/zinc/74/80/25/484748025.db2.gz XKLOSVZLOCUAQV-KRWDZBQOSA-N 3 0 374.489 -0.437 20 0 FBADRP [NH3+][C@H](CNC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000419365410 484748442 /nfs/dbraw/zinc/74/84/42/484748442.db2.gz XKLOSVZLOCUAQV-QGZVFWFLSA-N 3 0 374.489 -0.437 20 0 FBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000419366552 484748158 /nfs/dbraw/zinc/74/81/58/484748158.db2.gz ZEUQJNDPTNUFLH-GOEBONIOSA-N 2 0 366.437 -0.227 20 0 FBADRP COCC[NH2+]CCNC(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000419369948 484747727 /nfs/dbraw/zinc/74/77/27/484747727.db2.gz GOGDNBZDRZHOFS-UHFFFAOYSA-N 2 0 362.474 -0.446 20 0 FBADRP C[NH+](C)C1(CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)Cc2ccccc2C1 ZINC000419371734 484748305 /nfs/dbraw/zinc/74/83/05/484748305.db2.gz JNLKZYFYECMRLR-INIZCTEOSA-N 2 0 360.458 -0.694 20 0 FBADRP C[NH+](C)C1(CNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)Cc2ccccc2C1 ZINC000419371738 484748432 /nfs/dbraw/zinc/74/84/32/484748432.db2.gz JNLKZYFYECMRLR-MRXNPFEDSA-N 2 0 360.458 -0.694 20 0 FBADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)Cc2ccccc2C1 ZINC000419372446 484747711 /nfs/dbraw/zinc/74/77/11/484747711.db2.gz KWYGHQAJIKULLA-INIZCTEOSA-N 2 0 360.458 -0.612 20 0 FBADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)Cc2ccccc2C1 ZINC000419372447 484748087 /nfs/dbraw/zinc/74/80/87/484748087.db2.gz KWYGHQAJIKULLA-MRXNPFEDSA-N 2 0 360.458 -0.612 20 0 FBADRP C[NH+](C)C1(CNC(=O)C(=O)NCCN2CC[NH2+]CC2)Cc2ccccc2C1 ZINC000419380067 484751003 /nfs/dbraw/zinc/75/10/03/484751003.db2.gz WZKCSAHVAKBXAC-UHFFFAOYSA-N 2 0 373.501 -0.777 20 0 FBADRP CC(C)[C@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)[NH+]1CCC(C)CC1 ZINC000419380469 484750844 /nfs/dbraw/zinc/75/08/44/484750844.db2.gz XRKPBNDQXKXOCA-CVEARBPZSA-N 2 0 354.495 -0.036 20 0 FBADRP CC(C)[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)[NH+]1CCC(C)CC1 ZINC000419380471 484751437 /nfs/dbraw/zinc/75/14/37/484751437.db2.gz XRKPBNDQXKXOCA-HOTGVXAUSA-N 2 0 354.495 -0.036 20 0 FBADRP CC(C)[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)[NH+]1CCC(C)CC1 ZINC000419380473 484750941 /nfs/dbraw/zinc/75/09/41/484750941.db2.gz XRKPBNDQXKXOCA-HZPDHXFCSA-N 2 0 354.495 -0.036 20 0 FBADRP CC(C)[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)[NH+]1CCC(C)CC1 ZINC000419380475 484751347 /nfs/dbraw/zinc/75/13/47/484751347.db2.gz XRKPBNDQXKXOCA-JKSUJKDBSA-N 2 0 354.495 -0.036 20 0 FBADRP CC(C)[C@H](CNC(=O)C(=O)NCCN1CC[NH2+]CC1)[NH+]1CCC(C)CC1 ZINC000419380491 484751170 /nfs/dbraw/zinc/75/11/70/484751170.db2.gz XSLWTIXUORRHPC-KRWDZBQOSA-N 2 0 367.538 -0.120 20 0 FBADRP CC(C)[C@@H](CNC(=O)C(=O)NCCN1CC[NH2+]CC1)[NH+]1CCC(C)CC1 ZINC000419380492 484751069 /nfs/dbraw/zinc/75/10/69/484751069.db2.gz XSLWTIXUORRHPC-QGZVFWFLSA-N 2 0 367.538 -0.120 20 0 FBADRP C[NH+](C)C1(CNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)Cc2ccccc2C1 ZINC000419382288 484751384 /nfs/dbraw/zinc/75/13/84/484751384.db2.gz YRCKDVVLXNSZHE-CALCHBBNSA-N 2 0 356.470 -0.120 20 0 FBADRP CC(C)(CNC(=O)C(=O)N(CC[NH3+])CCO)[N@@H+]1CCc2ccccc2C1 ZINC000419399354 484749972 /nfs/dbraw/zinc/74/99/72/484749972.db2.gz YWFZYEGEKINKMJ-UHFFFAOYSA-N 2 0 362.474 -0.281 20 0 FBADRP CC1CC[NH+](CCNC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CC1 ZINC000419401034 484750013 /nfs/dbraw/zinc/75/00/13/484750013.db2.gz AGLDAKJMZJCWKB-HNNXBMFYSA-N 2 0 367.494 -0.852 20 0 FBADRP CC1CC[NH+](CCNC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CC1 ZINC000419401035 484749739 /nfs/dbraw/zinc/74/97/39/484749739.db2.gz AGLDAKJMZJCWKB-OAHLLOKOSA-N 2 0 367.494 -0.852 20 0 FBADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000419402642 484750115 /nfs/dbraw/zinc/75/01/15/484750115.db2.gz CQXRUJRRJWJUKY-CABCVRRESA-N 2 0 367.494 -0.852 20 0 FBADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000419402643 484749895 /nfs/dbraw/zinc/74/98/95/484749895.db2.gz CQXRUJRRJWJUKY-GJZGRUSLSA-N 2 0 367.494 -0.852 20 0 FBADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000419402644 484749789 /nfs/dbraw/zinc/74/97/89/484749789.db2.gz CQXRUJRRJWJUKY-HUUCEWRRSA-N 2 0 367.494 -0.852 20 0 FBADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000419402645 484749919 /nfs/dbraw/zinc/74/99/19/484749919.db2.gz CQXRUJRRJWJUKY-LSDHHAIUSA-N 2 0 367.494 -0.852 20 0 FBADRP C[N@H+](CCCNC(=O)C(=O)NCCN1CC[NH2+]CC1)C1CCCCC1 ZINC000419403459 484749954 /nfs/dbraw/zinc/74/99/54/484749954.db2.gz DVSNBKZAWHYTKZ-UHFFFAOYSA-N 2 0 353.511 -0.221 20 0 FBADRP C[C@H](NC(=O)C(=O)N(CC[NH3+])CCO)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419403517 484749457 /nfs/dbraw/zinc/74/94/57/484749457.db2.gz RQPNHNHJZQMZMX-DOTOQJQBSA-N 2 0 362.474 -0.207 20 0 FBADRP C[C@@H](NC(=O)C(=O)N(CC[NH3+])CCO)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419403518 484749268 /nfs/dbraw/zinc/74/92/68/484749268.db2.gz RQPNHNHJZQMZMX-NVXWUHKLSA-N 2 0 362.474 -0.207 20 0 FBADRP C[C@H](NC(=O)C(=O)N(CC[NH3+])CCO)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419403519 484749478 /nfs/dbraw/zinc/74/94/78/484749478.db2.gz RQPNHNHJZQMZMX-RDJZCZTQSA-N 2 0 362.474 -0.207 20 0 FBADRP C[C@@H](NC(=O)C(=O)N(CC[NH3+])CCO)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419403520 484750052 /nfs/dbraw/zinc/75/00/52/484750052.db2.gz RQPNHNHJZQMZMX-WBVHZDCISA-N 2 0 362.474 -0.207 20 0 FBADRP CC[C@@H](CNC(=O)C(=O)N(CC[NH3+])CCO)[N@@H+]1CCc2ccccc2C1 ZINC000419403683 484749936 /nfs/dbraw/zinc/74/99/36/484749936.db2.gz DSQIEDUGCVDMFI-KRWDZBQOSA-N 2 0 362.474 -0.281 20 0 FBADRP CC[C@H](CNC(=O)C(=O)N(CC[NH3+])CCO)[N@@H+]1CCc2ccccc2C1 ZINC000419403684 484749705 /nfs/dbraw/zinc/74/97/05/484749705.db2.gz DSQIEDUGCVDMFI-QGZVFWFLSA-N 2 0 362.474 -0.281 20 0 FBADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)c1ccc(F)cc1 ZINC000419408426 484749128 /nfs/dbraw/zinc/74/91/28/484749128.db2.gz LNUORFRTXUZVQR-CABCVRRESA-N 2 0 352.410 -0.269 20 0 FBADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)c1ccc(F)cc1 ZINC000419408428 484749016 /nfs/dbraw/zinc/74/90/16/484749016.db2.gz LNUORFRTXUZVQR-GJZGRUSLSA-N 2 0 352.410 -0.269 20 0 FBADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)c1ccc(F)cc1 ZINC000419408429 484749859 /nfs/dbraw/zinc/74/98/59/484749859.db2.gz LNUORFRTXUZVQR-HUUCEWRRSA-N 2 0 352.410 -0.269 20 0 FBADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)c1ccc(F)cc1 ZINC000419408430 484750095 /nfs/dbraw/zinc/75/00/95/484750095.db2.gz LNUORFRTXUZVQR-LSDHHAIUSA-N 2 0 352.410 -0.269 20 0 FBADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)c1ccc(F)cc1 ZINC000419409273 484750272 /nfs/dbraw/zinc/75/02/72/484750272.db2.gz MXHOSFZIYFGVMF-CABCVRRESA-N 2 0 352.410 -0.351 20 0 FBADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)c1ccc(F)cc1 ZINC000419409274 484750074 /nfs/dbraw/zinc/75/00/74/484750074.db2.gz MXHOSFZIYFGVMF-GJZGRUSLSA-N 2 0 352.410 -0.351 20 0 FBADRP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)c1ccc(F)cc1 ZINC000419409275 484749193 /nfs/dbraw/zinc/74/91/93/484749193.db2.gz MXHOSFZIYFGVMF-HUUCEWRRSA-N 2 0 352.410 -0.351 20 0 FBADRP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)c1ccc(F)cc1 ZINC000419409276 484749351 /nfs/dbraw/zinc/74/93/51/484749351.db2.gz MXHOSFZIYFGVMF-LSDHHAIUSA-N 2 0 352.410 -0.351 20 0 FBADRP [NH3+]C[C@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)CCO1 ZINC000419411954 484751101 /nfs/dbraw/zinc/75/11/01/484751101.db2.gz CEGHXBPXCVDLAC-KRWDZBQOSA-N 2 0 360.458 -0.263 20 0 FBADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)CCO1 ZINC000419411958 484750806 /nfs/dbraw/zinc/75/08/06/484750806.db2.gz CEGHXBPXCVDLAC-QGZVFWFLSA-N 2 0 360.458 -0.263 20 0 FBADRP [NH3+]CCCNC(=O)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000419411992 484751813 /nfs/dbraw/zinc/75/18/13/484751813.db2.gz CKTMLUGAYBACBW-UHFFFAOYSA-N 2 0 361.490 -0.225 20 0 FBADRP CN1CC[N@H+](CCCNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000419413869 484751021 /nfs/dbraw/zinc/75/10/21/484751021.db2.gz GBQFZDARGVRIFN-MSOLQXFVSA-N 2 0 373.501 -0.041 20 0 FBADRP CN1CC[N@H+](CCCNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000419413871 484751625 /nfs/dbraw/zinc/75/16/25/484751625.db2.gz GBQFZDARGVRIFN-QZTJIDSGSA-N 2 0 373.501 -0.041 20 0 FBADRP CN1CC[N@H+](CCCNC(=O)C(=O)N[C@H]2CC[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000419413872 484751841 /nfs/dbraw/zinc/75/18/41/484751841.db2.gz GBQFZDARGVRIFN-ROUUACIJSA-N 2 0 373.501 -0.041 20 0 FBADRP CN1CC[N@H+](CCCNC(=O)C(=O)N[C@H]2CC[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000419413873 484751402 /nfs/dbraw/zinc/75/14/02/484751402.db2.gz GBQFZDARGVRIFN-ZWKOTPCHSA-N 2 0 373.501 -0.041 20 0 FBADRP C[C@@H](C[NH3+])NC(=O)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000419414317 484751551 /nfs/dbraw/zinc/75/15/51/484751551.db2.gz GROASRXQLXUKLT-INIZCTEOSA-N 2 0 361.490 -0.226 20 0 FBADRP C[C@H](C[NH3+])NC(=O)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000419414319 484751723 /nfs/dbraw/zinc/75/17/23/484751723.db2.gz GROASRXQLXUKLT-MRXNPFEDSA-N 2 0 361.490 -0.226 20 0 FBADRP O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)C(=O)N1CC[NH2+]CC1 ZINC000419415322 484751742 /nfs/dbraw/zinc/75/17/42/484751742.db2.gz HTUNTVNNYFPSSA-UHFFFAOYSA-N 2 0 359.474 -0.253 20 0 FBADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NCCN1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000419416149 484750895 /nfs/dbraw/zinc/75/08/95/484750895.db2.gz WBIILDTWLKCOMT-INIZCTEOSA-N 2 0 365.453 -0.434 20 0 FBADRP C[NH+](C)[C@H](CNC(=O)C(=O)NCCN1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000419416150 484751337 /nfs/dbraw/zinc/75/13/37/484751337.db2.gz WBIILDTWLKCOMT-MRXNPFEDSA-N 2 0 365.453 -0.434 20 0 FBADRP [NH3+][C@@H]1CCN(C(=O)C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000419416342 484751478 /nfs/dbraw/zinc/75/14/78/484751478.db2.gz IZXLYWFRQIJDFS-GOSISDBHSA-N 2 0 373.501 -0.130 20 0 FBADRP [NH3+][C@H]1CCN(C(=O)C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000419416344 484751242 /nfs/dbraw/zinc/75/12/42/484751242.db2.gz IZXLYWFRQIJDFS-SFHVURJKSA-N 2 0 373.501 -0.130 20 0 FBADRP [NH3+][C@H]1CCN(C(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000419416766 484750745 /nfs/dbraw/zinc/75/07/45/484750745.db2.gz JGWGNTMFDQTNMQ-INIZCTEOSA-N 2 0 359.474 -0.126 20 0 FBADRP [NH3+][C@@H]1CCN(C(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000419416768 484751671 /nfs/dbraw/zinc/75/16/71/484751671.db2.gz JGWGNTMFDQTNMQ-MRXNPFEDSA-N 2 0 359.474 -0.126 20 0 FBADRP O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419418552 484751644 /nfs/dbraw/zinc/75/16/44/484751644.db2.gz LHNNAJYOVNMVDT-GOSISDBHSA-N 2 0 373.501 -0.211 20 0 FBADRP O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419418553 484751678 /nfs/dbraw/zinc/75/16/78/484751678.db2.gz LHNNAJYOVNMVDT-SFHVURJKSA-N 2 0 373.501 -0.211 20 0 FBADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)C(=O)NCCN1CC[NH2+]CC1 ZINC000419418600 484750860 /nfs/dbraw/zinc/75/08/60/484750860.db2.gz ILSHLWLHJUUROD-UHFFFAOYSA-N 2 0 373.501 -0.428 20 0 FBADRP O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419420507 484753500 /nfs/dbraw/zinc/75/35/00/484753500.db2.gz NITJTKCFMUSFJU-INIZCTEOSA-N 2 0 359.474 -0.207 20 0 FBADRP O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419420508 484753566 /nfs/dbraw/zinc/75/35/66/484753566.db2.gz NITJTKCFMUSFJU-MRXNPFEDSA-N 2 0 359.474 -0.207 20 0 FBADRP C[NH2+]CCNC(=O)C(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000419421321 484752655 /nfs/dbraw/zinc/75/26/55/484752655.db2.gz OUOJGOGFJQXUBZ-KRWDZBQOSA-N 2 0 361.490 -0.183 20 0 FBADRP C[NH2+]CCNC(=O)C(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000419421324 484753284 /nfs/dbraw/zinc/75/32/84/484753284.db2.gz OUOJGOGFJQXUBZ-QGZVFWFLSA-N 2 0 361.490 -0.183 20 0 FBADRP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000419422124 484753984 /nfs/dbraw/zinc/75/39/84/484753984.db2.gz LWWYOBWOYHXZGM-HOTGVXAUSA-N 2 0 353.511 -0.508 20 0 FBADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000419422126 484753334 /nfs/dbraw/zinc/75/33/34/484753334.db2.gz LWWYOBWOYHXZGM-HZPDHXFCSA-N 2 0 353.511 -0.508 20 0 FBADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000419422127 484752971 /nfs/dbraw/zinc/75/29/71/484752971.db2.gz LWWYOBWOYHXZGM-IYBDPMFKSA-N 2 0 353.511 -0.508 20 0 FBADRP C[C@@H](C[NH3+])NC(=O)C(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000419423873 484753845 /nfs/dbraw/zinc/75/38/45/484753845.db2.gz SJSMFKBWLFJQKD-DOTOQJQBSA-N 2 0 361.490 -0.055 20 0 FBADRP C[C@H](C[NH3+])NC(=O)C(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000419423876 484753652 /nfs/dbraw/zinc/75/36/52/484753652.db2.gz SJSMFKBWLFJQKD-NVXWUHKLSA-N 2 0 361.490 -0.055 20 0 FBADRP C[C@@H](C[NH3+])NC(=O)C(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000419423879 484753253 /nfs/dbraw/zinc/75/32/53/484753253.db2.gz SJSMFKBWLFJQKD-RDJZCZTQSA-N 2 0 361.490 -0.055 20 0 FBADRP C[C@H](C[NH3+])NC(=O)C(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000419423882 484753376 /nfs/dbraw/zinc/75/33/76/484753376.db2.gz SJSMFKBWLFJQKD-WBVHZDCISA-N 2 0 361.490 -0.055 20 0 FBADRP C[NH2+]CCNC(=O)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000419424051 484752912 /nfs/dbraw/zinc/75/29/12/484752912.db2.gz SPTAHVNHVLTELJ-UHFFFAOYSA-N 2 0 361.490 -0.354 20 0 FBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000419424870 484753635 /nfs/dbraw/zinc/75/36/35/484753635.db2.gz OXTNDBOEODWPRW-CABCVRRESA-N 2 0 367.494 -0.710 20 0 FBADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000419424871 484753479 /nfs/dbraw/zinc/75/34/79/484753479.db2.gz OXTNDBOEODWPRW-GJZGRUSLSA-N 2 0 367.494 -0.710 20 0 FBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000419424872 484753344 /nfs/dbraw/zinc/75/33/44/484753344.db2.gz OXTNDBOEODWPRW-HUUCEWRRSA-N 2 0 367.494 -0.710 20 0 FBADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000419424873 484753988 /nfs/dbraw/zinc/75/39/88/484753988.db2.gz OXTNDBOEODWPRW-LSDHHAIUSA-N 2 0 367.494 -0.710 20 0 FBADRP CN(CC[NH3+])C(=O)C(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000419425098 484753693 /nfs/dbraw/zinc/75/36/93/484753693.db2.gz UVOVMLRGRMMMQW-KRWDZBQOSA-N 2 0 361.490 -0.102 20 0 FBADRP CN(CC[NH3+])C(=O)C(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000419425099 484753045 /nfs/dbraw/zinc/75/30/45/484753045.db2.gz UVOVMLRGRMMMQW-QGZVFWFLSA-N 2 0 361.490 -0.102 20 0 FBADRP O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000419425374 484753105 /nfs/dbraw/zinc/75/31/05/484753105.db2.gz POVLMUCJQVRBJU-GOSISDBHSA-N 2 0 373.501 -0.039 20 0 FBADRP O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000419425375 484752637 /nfs/dbraw/zinc/75/26/37/484752637.db2.gz POVLMUCJQVRBJU-SFHVURJKSA-N 2 0 373.501 -0.039 20 0 FBADRP C[NH2+]CCN(C)C(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000419425772 483702805 /nfs/dbraw/zinc/70/28/05/483702805.db2.gz WJZREOHJEROFMB-UHFFFAOYSA-N 2 0 361.490 -0.007 20 0 FBADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419426264 484753226 /nfs/dbraw/zinc/75/32/26/484753226.db2.gz QPLBLFWCIISBKE-KRWDZBQOSA-N 2 0 360.458 -0.344 20 0 FBADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419426265 484752851 /nfs/dbraw/zinc/75/28/51/484752851.db2.gz QPLBLFWCIISBKE-QGZVFWFLSA-N 2 0 360.458 -0.344 20 0 FBADRP CN1CC[N@H+](CCCNC(=O)C(=O)NCCC[NH3+])[C@H](c2ccccc2)C1 ZINC000419426881 484753804 /nfs/dbraw/zinc/75/38/04/484753804.db2.gz YFQLJXWVCMUPQQ-KRWDZBQOSA-N 2 0 361.490 -0.054 20 0 FBADRP CN1CC[N@H+](CCCNC(=O)C(=O)NCCC[NH3+])[C@@H](c2ccccc2)C1 ZINC000419426884 484753147 /nfs/dbraw/zinc/75/31/47/484753147.db2.gz YFQLJXWVCMUPQQ-QGZVFWFLSA-N 2 0 361.490 -0.054 20 0 FBADRP CN(CC[NH3+])C(=O)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000419427531 484752454 /nfs/dbraw/zinc/75/24/54/484752454.db2.gz ZDKDVZYMKSUVIC-UHFFFAOYSA-N 2 0 361.490 -0.272 20 0 FBADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000419428092 484752485 /nfs/dbraw/zinc/75/24/85/484752485.db2.gz SQOZDBBHGWOHCE-BZUAXINKSA-N 2 0 354.495 -0.035 20 0 FBADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000419428094 484753005 /nfs/dbraw/zinc/75/30/05/484753005.db2.gz SQOZDBBHGWOHCE-OAGGEKHMSA-N 2 0 354.495 -0.035 20 0 FBADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000419428096 484753777 /nfs/dbraw/zinc/75/37/77/484753777.db2.gz SQOZDBBHGWOHCE-OWCLPIDISA-N 2 0 354.495 -0.035 20 0 FBADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000419428098 484753011 /nfs/dbraw/zinc/75/30/11/484753011.db2.gz SQOZDBBHGWOHCE-XHSDSOJGSA-N 2 0 354.495 -0.035 20 0 FBADRP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000419466747 484753741 /nfs/dbraw/zinc/75/37/41/484753741.db2.gz TYLUHNAYZHKZBC-BZUAXINKSA-N 2 0 369.510 -0.330 20 0 FBADRP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000419466748 484753939 /nfs/dbraw/zinc/75/39/39/484753939.db2.gz TYLUHNAYZHKZBC-OAGGEKHMSA-N 2 0 369.510 -0.330 20 0 FBADRP C[C@@H]1CN(C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)[C@@H](C)C[N@@H+]1CCO ZINC000419466750 484752941 /nfs/dbraw/zinc/75/29/41/484752941.db2.gz TYLUHNAYZHKZBC-OWCLPIDISA-N 2 0 369.510 -0.330 20 0 FBADRP C[C@@H]1CN(C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)[C@@H](C)C[N@@H+]1CCO ZINC000419466751 484752565 /nfs/dbraw/zinc/75/25/65/484752565.db2.gz TYLUHNAYZHKZBC-PMPSAXMXSA-N 2 0 369.510 -0.330 20 0 FBADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000419475078 484760098 /nfs/dbraw/zinc/76/00/98/484760098.db2.gz CZUPHMKJRHAIIE-BZUAXINKSA-N 2 0 354.495 -0.035 20 0 FBADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000419475080 484759301 /nfs/dbraw/zinc/75/93/01/484759301.db2.gz CZUPHMKJRHAIIE-OAGGEKHMSA-N 2 0 354.495 -0.035 20 0 FBADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000419475081 484760367 /nfs/dbraw/zinc/76/03/67/484760367.db2.gz CZUPHMKJRHAIIE-OWCLPIDISA-N 2 0 354.495 -0.035 20 0 FBADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000419475083 484760182 /nfs/dbraw/zinc/76/01/82/484760182.db2.gz CZUPHMKJRHAIIE-XHSDSOJGSA-N 2 0 354.495 -0.035 20 0 FBADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000419479512 484760437 /nfs/dbraw/zinc/76/04/37/484760437.db2.gz LMWVQKKEAWXWNY-CALCHBBNSA-N 2 0 367.538 -0.118 20 0 FBADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000419479513 484759508 /nfs/dbraw/zinc/75/95/08/484759508.db2.gz LMWVQKKEAWXWNY-IAGOWNOFSA-N 2 0 367.538 -0.118 20 0 FBADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000419479514 484760177 /nfs/dbraw/zinc/76/01/77/484760177.db2.gz LMWVQKKEAWXWNY-IRXDYDNUSA-N 2 0 367.538 -0.118 20 0 FBADRP C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000419479866 484759767 /nfs/dbraw/zinc/75/97/67/484759767.db2.gz MDBMQOUKFFHZPK-INIZCTEOSA-N 2 0 353.511 -0.364 20 0 FBADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000419479871 484760270 /nfs/dbraw/zinc/76/02/70/484760270.db2.gz MDBMQOUKFFHZPK-MRXNPFEDSA-N 2 0 353.511 -0.364 20 0 FBADRP CC1CC[NH+](CCCCNC(=O)C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000419480947 484759747 /nfs/dbraw/zinc/75/97/47/484759747.db2.gz OEYDTDUQJYVVGH-UHFFFAOYSA-N 2 0 353.511 -0.364 20 0 FBADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419485641 484761839 /nfs/dbraw/zinc/76/18/39/484761839.db2.gz VUKGRCNNXOZRSM-INIZCTEOSA-N 2 0 353.511 -0.221 20 0 FBADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419485642 484760899 /nfs/dbraw/zinc/76/08/99/484760899.db2.gz VUKGRCNNXOZRSM-MRXNPFEDSA-N 2 0 353.511 -0.221 20 0 FBADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000419487150 484761621 /nfs/dbraw/zinc/76/16/21/484761621.db2.gz YTJICJSSMUYESL-KBPBESRZSA-N 2 0 356.467 -0.556 20 0 FBADRP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000419487155 484761026 /nfs/dbraw/zinc/76/10/26/484761026.db2.gz YTJICJSSMUYESL-KGLIPLIRSA-N 2 0 356.467 -0.556 20 0 FBADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000419487157 484761335 /nfs/dbraw/zinc/76/13/35/484761335.db2.gz YTJICJSSMUYESL-UONOGXRCSA-N 2 0 356.467 -0.556 20 0 FBADRP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000419487159 484761731 /nfs/dbraw/zinc/76/17/31/484761731.db2.gz YTJICJSSMUYESL-ZIAGYGMSSA-N 2 0 356.467 -0.556 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C[C@@H](C)[NH2+]1 ZINC000419502403 484758215 /nfs/dbraw/zinc/75/82/15/484758215.db2.gz CYZYXVJKCTZNOQ-KFWWJZLASA-N 2 0 367.494 -0.746 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C[C@H](C)[NH2+]1 ZINC000419508587 484758091 /nfs/dbraw/zinc/75/80/91/484758091.db2.gz CYZYXVJKCTZNOQ-QLFBSQMISA-N 2 0 367.494 -0.746 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C[C@@H](C)[NH2+]1 ZINC000419508589 484758156 /nfs/dbraw/zinc/75/81/56/484758156.db2.gz CYZYXVJKCTZNOQ-RBSFLKMASA-N 2 0 367.494 -0.746 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C[C@H](C)[NH2+]1 ZINC000419508591 484757897 /nfs/dbraw/zinc/75/78/97/484757897.db2.gz CYZYXVJKCTZNOQ-ZNMIVQPWSA-N 2 0 367.494 -0.746 20 0 FBADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000419508874 484758654 /nfs/dbraw/zinc/75/86/54/484758654.db2.gz DKIPNHFETKWFOI-CABCVRRESA-N 2 0 369.510 -0.465 20 0 FBADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000419508879 484757780 /nfs/dbraw/zinc/75/77/80/484757780.db2.gz DKIPNHFETKWFOI-GJZGRUSLSA-N 2 0 369.510 -0.465 20 0 FBADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000419508885 484758363 /nfs/dbraw/zinc/75/83/63/484758363.db2.gz DKIPNHFETKWFOI-HUUCEWRRSA-N 2 0 369.510 -0.465 20 0 FBADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000419508889 484757628 /nfs/dbraw/zinc/75/76/28/484757628.db2.gz DKIPNHFETKWFOI-LSDHHAIUSA-N 2 0 369.510 -0.465 20 0 FBADRP Cc1cccc(N2CC[NH+](CCCNC(=O)C(=O)NCC3C[NH2+]C3)CC2)c1 ZINC000419512411 484759884 /nfs/dbraw/zinc/75/98/84/484759884.db2.gz JPQUKIIQQCYVEE-UHFFFAOYSA-N 2 0 373.501 -0.041 20 0 FBADRP C[NH2+]CCNC(=O)C(=O)NCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000419516208 484760295 /nfs/dbraw/zinc/76/02/95/484760295.db2.gz SVYGJOWZIRLXIO-UHFFFAOYSA-N 2 0 361.490 -0.041 20 0 FBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000419519821 484759252 /nfs/dbraw/zinc/75/92/52/484759252.db2.gz GMYCDZXPOIQAKW-KBPBESRZSA-N 2 0 355.483 -0.854 20 0 FBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000419519822 484760357 /nfs/dbraw/zinc/76/03/57/484760357.db2.gz GMYCDZXPOIQAKW-KGLIPLIRSA-N 2 0 355.483 -0.854 20 0 FBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000419519823 484759542 /nfs/dbraw/zinc/75/95/42/484759542.db2.gz GMYCDZXPOIQAKW-UONOGXRCSA-N 2 0 355.483 -0.854 20 0 FBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000419519824 484759711 /nfs/dbraw/zinc/75/97/11/484759711.db2.gz GMYCDZXPOIQAKW-ZIAGYGMSSA-N 2 0 355.483 -0.854 20 0 FBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000419522190 484759721 /nfs/dbraw/zinc/75/97/21/484759721.db2.gz LYWXFCSDSUOOOW-CABCVRRESA-N 2 0 367.494 -0.615 20 0 FBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000419522192 484760015 /nfs/dbraw/zinc/76/00/15/484760015.db2.gz LYWXFCSDSUOOOW-HUUCEWRRSA-N 2 0 367.494 -0.615 20 0 FBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419523005 484760329 /nfs/dbraw/zinc/76/03/29/484760329.db2.gz NQALNZWKLGBPHE-CABCVRRESA-N 2 0 367.494 -0.696 20 0 FBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419523006 484759521 /nfs/dbraw/zinc/75/95/21/484759521.db2.gz NQALNZWKLGBPHE-GJZGRUSLSA-N 2 0 367.494 -0.696 20 0 FBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419523007 484759204 /nfs/dbraw/zinc/75/92/04/484759204.db2.gz NQALNZWKLGBPHE-HUUCEWRRSA-N 2 0 367.494 -0.696 20 0 FBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419523008 484759806 /nfs/dbraw/zinc/75/98/06/484759806.db2.gz NQALNZWKLGBPHE-LSDHHAIUSA-N 2 0 367.494 -0.696 20 0 FBADRP CC[N@H+](CCNC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])C1CC1 ZINC000419523071 484759988 /nfs/dbraw/zinc/75/99/88/484759988.db2.gz OAFCKIJLGHNWEP-HNNXBMFYSA-N 2 0 367.494 -0.567 20 0 FBADRP CC[N@H+](CCNC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])C1CC1 ZINC000419523072 484759665 /nfs/dbraw/zinc/75/96/65/484759665.db2.gz OAFCKIJLGHNWEP-OAHLLOKOSA-N 2 0 367.494 -0.567 20 0 FBADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000419523569 484759283 /nfs/dbraw/zinc/75/92/83/484759283.db2.gz OLZIAJJMEIVWGY-CABCVRRESA-N 2 0 367.494 -0.744 20 0 FBADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000419523570 484759682 /nfs/dbraw/zinc/75/96/82/484759682.db2.gz OLZIAJJMEIVWGY-GJZGRUSLSA-N 2 0 367.494 -0.744 20 0 FBADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000419523571 484760241 /nfs/dbraw/zinc/76/02/41/484760241.db2.gz OLZIAJJMEIVWGY-HUUCEWRRSA-N 2 0 367.494 -0.744 20 0 FBADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000419523572 484760281 /nfs/dbraw/zinc/76/02/81/484760281.db2.gz OLZIAJJMEIVWGY-LSDHHAIUSA-N 2 0 367.494 -0.744 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)[C@@H](C)C[NH2+]1 ZINC000419524897 484763302 /nfs/dbraw/zinc/76/33/02/484763302.db2.gz QNZOBPVFFQGQTD-ILXRZTDVSA-N 2 0 367.494 -0.746 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)[C@H](C)C[NH2+]1 ZINC000419524899 484763565 /nfs/dbraw/zinc/76/35/65/484763565.db2.gz QNZOBPVFFQGQTD-KFWWJZLASA-N 2 0 367.494 -0.746 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)[C@@H](C)C[NH2+]1 ZINC000419524901 484762482 /nfs/dbraw/zinc/76/24/82/484762482.db2.gz QNZOBPVFFQGQTD-QLFBSQMISA-N 2 0 367.494 -0.746 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)[C@H](C)C[NH2+]1 ZINC000419524903 484763335 /nfs/dbraw/zinc/76/33/35/484763335.db2.gz QNZOBPVFFQGQTD-RBSFLKMASA-N 2 0 367.494 -0.746 20 0 FBADRP CCC([NH3+])(CC)CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000419525202 484762908 /nfs/dbraw/zinc/76/29/08/484762908.db2.gz RAHSUGRKEJRMEY-AWEZNQCLSA-N 2 0 369.510 -0.321 20 0 FBADRP CCC([NH3+])(CC)CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000419525203 484762996 /nfs/dbraw/zinc/76/29/96/484762996.db2.gz RAHSUGRKEJRMEY-CQSZACIVSA-N 2 0 369.510 -0.321 20 0 FBADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419525470 484763268 /nfs/dbraw/zinc/76/32/68/484763268.db2.gz DIZKBKSFTXAMBQ-DJIMGWMZSA-N 2 0 360.458 -0.272 20 0 FBADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419525471 484763719 /nfs/dbraw/zinc/76/37/19/484763719.db2.gz DIZKBKSFTXAMBQ-HYVNUMGLSA-N 2 0 360.458 -0.272 20 0 FBADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419525472 484763417 /nfs/dbraw/zinc/76/34/17/484763417.db2.gz DIZKBKSFTXAMBQ-OIISXLGYSA-N 2 0 360.458 -0.272 20 0 FBADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419525473 484762625 /nfs/dbraw/zinc/76/26/25/484762625.db2.gz DIZKBKSFTXAMBQ-PVAVHDDUSA-N 2 0 360.458 -0.272 20 0 FBADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419527070 484762733 /nfs/dbraw/zinc/76/27/33/484762733.db2.gz FTIIBACLUAVHPM-AEFFLSMTSA-N 2 0 373.501 -0.356 20 0 FBADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419527071 484763750 /nfs/dbraw/zinc/76/37/50/484763750.db2.gz FTIIBACLUAVHPM-FUHWJXTLSA-N 2 0 373.501 -0.356 20 0 FBADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419527072 484762345 /nfs/dbraw/zinc/76/23/45/484762345.db2.gz FTIIBACLUAVHPM-SJLPKXTDSA-N 2 0 373.501 -0.356 20 0 FBADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419527073 484762417 /nfs/dbraw/zinc/76/24/17/484762417.db2.gz FTIIBACLUAVHPM-WMZOPIPTSA-N 2 0 373.501 -0.356 20 0 FBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000419528082 484762854 /nfs/dbraw/zinc/76/28/54/484762854.db2.gz WAMLAGLXIRSUEQ-ILXRZTDVSA-N 2 0 367.494 -0.841 20 0 FBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000419528083 484763673 /nfs/dbraw/zinc/76/36/73/484763673.db2.gz WAMLAGLXIRSUEQ-KFWWJZLASA-N 2 0 367.494 -0.841 20 0 FBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000419528084 484763091 /nfs/dbraw/zinc/76/30/91/484763091.db2.gz WAMLAGLXIRSUEQ-QLFBSQMISA-N 2 0 367.494 -0.841 20 0 FBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000419528085 484763492 /nfs/dbraw/zinc/76/34/92/484763492.db2.gz WAMLAGLXIRSUEQ-RBSFLKMASA-N 2 0 367.494 -0.841 20 0 FBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000419528580 484763796 /nfs/dbraw/zinc/76/37/96/484763796.db2.gz WQRABYAOLDITLY-AWEZNQCLSA-N 2 0 367.494 -0.744 20 0 FBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000419528581 484763166 /nfs/dbraw/zinc/76/31/66/484763166.db2.gz WQRABYAOLDITLY-CQSZACIVSA-N 2 0 367.494 -0.744 20 0 FBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000419529934 484762763 /nfs/dbraw/zinc/76/27/63/484762763.db2.gz YCBUMPPYAVCCPP-CABCVRRESA-N 2 0 369.510 -0.321 20 0 FBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000419529935 484762812 /nfs/dbraw/zinc/76/28/12/484762812.db2.gz YCBUMPPYAVCCPP-GJZGRUSLSA-N 2 0 369.510 -0.321 20 0 FBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000419529936 484762875 /nfs/dbraw/zinc/76/28/75/484762875.db2.gz YCBUMPPYAVCCPP-HUUCEWRRSA-N 2 0 369.510 -0.321 20 0 FBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000419529937 484763107 /nfs/dbraw/zinc/76/31/07/484763107.db2.gz YCBUMPPYAVCCPP-LSDHHAIUSA-N 2 0 369.510 -0.321 20 0 FBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000419532438 484763046 /nfs/dbraw/zinc/76/30/46/484763046.db2.gz HJATVNPEWVJDMC-FZKCQIBNSA-N 2 0 352.479 -0.201 20 0 FBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000419532439 484762821 /nfs/dbraw/zinc/76/28/21/484762821.db2.gz HJATVNPEWVJDMC-JJXSEGSLSA-N 2 0 352.479 -0.201 20 0 FBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000419532440 484762888 /nfs/dbraw/zinc/76/28/88/484762888.db2.gz HJATVNPEWVJDMC-XUWVNRHRSA-N 2 0 352.479 -0.201 20 0 FBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000419532441 484763224 /nfs/dbraw/zinc/76/32/24/484763224.db2.gz HJATVNPEWVJDMC-ZJIFWQFVSA-N 2 0 352.479 -0.201 20 0 FBADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000419532853 484762456 /nfs/dbraw/zinc/76/24/56/484762456.db2.gz NVQJVYXRBPBNKH-DJIMGWMZSA-N 2 0 360.458 -0.191 20 0 FBADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000419532854 484763374 /nfs/dbraw/zinc/76/33/74/484763374.db2.gz NVQJVYXRBPBNKH-HYVNUMGLSA-N 2 0 360.458 -0.191 20 0 FBADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000419532856 484763605 /nfs/dbraw/zinc/76/36/05/484763605.db2.gz NVQJVYXRBPBNKH-OIISXLGYSA-N 2 0 360.458 -0.191 20 0 FBADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000419532858 484762769 /nfs/dbraw/zinc/76/27/69/484762769.db2.gz NVQJVYXRBPBNKH-PVAVHDDUSA-N 2 0 360.458 -0.191 20 0 FBADRP C[C@H](NC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)C(C)(C)C[NH+](C)C ZINC000419537639 484764881 /nfs/dbraw/zinc/76/48/81/484764881.db2.gz DBPGIQPRZPVLPL-KBPBESRZSA-N 2 0 369.510 -0.608 20 0 FBADRP C[C@@H](NC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)C(C)(C)C[NH+](C)C ZINC000419537640 484764691 /nfs/dbraw/zinc/76/46/91/484764691.db2.gz DBPGIQPRZPVLPL-KGLIPLIRSA-N 2 0 369.510 -0.608 20 0 FBADRP C[C@H](NC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)C(C)(C)C[NH+](C)C ZINC000419537641 484764656 /nfs/dbraw/zinc/76/46/56/484764656.db2.gz DBPGIQPRZPVLPL-UONOGXRCSA-N 2 0 369.510 -0.608 20 0 FBADRP C[C@@H](NC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)C(C)(C)C[NH+](C)C ZINC000419537642 484765209 /nfs/dbraw/zinc/76/52/09/484765209.db2.gz DBPGIQPRZPVLPL-ZIAGYGMSSA-N 2 0 369.510 -0.608 20 0 FBADRP COCC[NH2+]CCNC(=O)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000419539649 484764955 /nfs/dbraw/zinc/76/49/55/484764955.db2.gz YQKHULIBZXCNFU-DOTOQJQBSA-N 2 0 362.474 -0.025 20 0 FBADRP COCC[NH2+]CCNC(=O)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000419539650 484765092 /nfs/dbraw/zinc/76/50/92/484765092.db2.gz YQKHULIBZXCNFU-NVXWUHKLSA-N 2 0 362.474 -0.025 20 0 FBADRP COCC[NH2+]CCNC(=O)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000419539651 484765021 /nfs/dbraw/zinc/76/50/21/484765021.db2.gz YQKHULIBZXCNFU-RDJZCZTQSA-N 2 0 362.474 -0.025 20 0 FBADRP COCC[NH2+]CCNC(=O)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000419539652 484765131 /nfs/dbraw/zinc/76/51/31/484765131.db2.gz YQKHULIBZXCNFU-WBVHZDCISA-N 2 0 362.474 -0.025 20 0 FBADRP C[C@@H]1[C@H](NC(=O)C(=O)N2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)CCC[N@@H+]1C ZINC000419540787 484764339 /nfs/dbraw/zinc/76/43/39/484764339.db2.gz CKGAEPYZLKZZGL-FPCVCCKLSA-N 2 0 364.490 -0.188 20 0 FBADRP C[C@H]1[C@@H](NC(=O)C(=O)N2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)CCC[N@@H+]1C ZINC000419540788 484765281 /nfs/dbraw/zinc/76/52/81/484765281.db2.gz CKGAEPYZLKZZGL-FZKCQIBNSA-N 2 0 364.490 -0.188 20 0 FBADRP C[C@H]1[C@H](NC(=O)C(=O)N2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)CCC[N@@H+]1C ZINC000419540789 484764590 /nfs/dbraw/zinc/76/45/90/484764590.db2.gz CKGAEPYZLKZZGL-JJXSEGSLSA-N 2 0 364.490 -0.188 20 0 FBADRP C[C@@H]1[C@@H](NC(=O)C(=O)N2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)CCC[N@@H+]1C ZINC000419540790 484764735 /nfs/dbraw/zinc/76/47/35/484764735.db2.gz CKGAEPYZLKZZGL-WCVJEAGWSA-N 2 0 364.490 -0.188 20 0 FBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000419549922 484766346 /nfs/dbraw/zinc/76/63/46/484766346.db2.gz VYLOVSSDRKYZPQ-HNNXBMFYSA-N 2 0 352.479 -0.185 20 0 FBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000419549923 484766216 /nfs/dbraw/zinc/76/62/16/484766216.db2.gz VYLOVSSDRKYZPQ-OAHLLOKOSA-N 2 0 352.479 -0.185 20 0 FBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000419551825 484765972 /nfs/dbraw/zinc/76/59/72/484765972.db2.gz XXISWVSZJAJTAX-BFHYXJOUSA-N 2 0 356.467 -0.557 20 0 FBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000419551828 484766606 /nfs/dbraw/zinc/76/66/06/484766606.db2.gz XXISWVSZJAJTAX-MCIONIFRSA-N 2 0 356.467 -0.557 20 0 FBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000419551831 484766361 /nfs/dbraw/zinc/76/63/61/484766361.db2.gz XXISWVSZJAJTAX-MGPQQGTHSA-N 2 0 356.467 -0.557 20 0 FBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000419551834 484766189 /nfs/dbraw/zinc/76/61/89/484766189.db2.gz XXISWVSZJAJTAX-MJBXVCDLSA-N 2 0 356.467 -0.557 20 0 FBADRP C[C@@H]1[C@@H](NC(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CCC[N@@H+]1C ZINC000419555588 484765831 /nfs/dbraw/zinc/76/58/31/484765831.db2.gz JKPCPVXQOKPFQZ-ILXRZTDVSA-N 2 0 367.494 -0.569 20 0 FBADRP C[C@@H]1[C@@H](NC(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CCC[N@@H+]1C ZINC000419555589 484766327 /nfs/dbraw/zinc/76/63/27/484766327.db2.gz JKPCPVXQOKPFQZ-KFWWJZLASA-N 2 0 367.494 -0.569 20 0 FBADRP C[C@@H]1[C@H](NC(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CCC[N@@H+]1C ZINC000419555590 484765907 /nfs/dbraw/zinc/76/59/07/484765907.db2.gz JKPCPVXQOKPFQZ-QLFBSQMISA-N 2 0 367.494 -0.569 20 0 FBADRP C[C@@H]1[C@H](NC(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CCC[N@@H+]1C ZINC000419555591 484766453 /nfs/dbraw/zinc/76/64/53/484766453.db2.gz JKPCPVXQOKPFQZ-RBSFLKMASA-N 2 0 367.494 -0.569 20 0 FBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000419576285 484767679 /nfs/dbraw/zinc/76/76/79/484767679.db2.gz BWCHYPVWYVPXID-CABCVRRESA-N 2 0 367.494 -0.710 20 0 FBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000419576286 484767666 /nfs/dbraw/zinc/76/76/66/484767666.db2.gz BWCHYPVWYVPXID-GJZGRUSLSA-N 2 0 367.494 -0.710 20 0 FBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000419576287 484767155 /nfs/dbraw/zinc/76/71/55/484767155.db2.gz BWCHYPVWYVPXID-HUUCEWRRSA-N 2 0 367.494 -0.710 20 0 FBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000419576288 484767765 /nfs/dbraw/zinc/76/77/65/484767765.db2.gz BWCHYPVWYVPXID-LSDHHAIUSA-N 2 0 367.494 -0.710 20 0 FBADRP C[C@@H](CNC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])[N@H+](C)C1CC1 ZINC000419576887 484764181 /nfs/dbraw/zinc/76/41/81/484764181.db2.gz CPJPQMAMGGONHI-DZGCQCFKSA-N 2 0 367.494 -0.569 20 0 FBADRP C[C@H](CNC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])[N@H+](C)C1CC1 ZINC000419576889 484765077 /nfs/dbraw/zinc/76/50/77/484765077.db2.gz CPJPQMAMGGONHI-HIFRSBDPSA-N 2 0 367.494 -0.569 20 0 FBADRP C[C@H](CNC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])[N@H+](C)C1CC1 ZINC000419576890 484764707 /nfs/dbraw/zinc/76/47/07/484764707.db2.gz CPJPQMAMGGONHI-UKRRQHHQSA-N 2 0 367.494 -0.569 20 0 FBADRP C[C@@H](CNC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])[N@H+](C)C1CC1 ZINC000419576892 484765217 /nfs/dbraw/zinc/76/52/17/484765217.db2.gz CPJPQMAMGGONHI-ZFWWWQNUSA-N 2 0 367.494 -0.569 20 0 FBADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000419589003 484769468 /nfs/dbraw/zinc/76/94/68/484769468.db2.gz RRLOLSPHBFWILF-HWWQOWPSSA-N 2 0 358.508 -0.231 20 0 FBADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000419589004 484768784 /nfs/dbraw/zinc/76/87/84/484768784.db2.gz RRLOLSPHBFWILF-MKBNYLNASA-N 2 0 358.508 -0.231 20 0 FBADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000419589005 484769392 /nfs/dbraw/zinc/76/93/92/484769392.db2.gz RRLOLSPHBFWILF-MQIPJXDCSA-N 2 0 358.508 -0.231 20 0 FBADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000419589006 484769589 /nfs/dbraw/zinc/76/95/89/484769589.db2.gz RRLOLSPHBFWILF-OZVIIMIRSA-N 2 0 358.508 -0.231 20 0 FBADRP C[C@H]1C[C@H](NC(=O)C(=O)N(CC[NH3+])CCO)CC[N@@H+]1Cc1ccccc1 ZINC000419647324 484770389 /nfs/dbraw/zinc/77/03/89/484770389.db2.gz ANVVCCQKKSSIAA-DOTOQJQBSA-N 2 0 362.474 -0.065 20 0 FBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N(CC[NH3+])CCO)CC[N@@H+]1Cc1ccccc1 ZINC000419647326 484770717 /nfs/dbraw/zinc/77/07/17/484770717.db2.gz ANVVCCQKKSSIAA-NVXWUHKLSA-N 2 0 362.474 -0.065 20 0 FBADRP C[C@H]1C[C@@H](NC(=O)C(=O)N(CC[NH3+])CCO)CC[N@@H+]1Cc1ccccc1 ZINC000419647327 484770116 /nfs/dbraw/zinc/77/01/16/484770116.db2.gz ANVVCCQKKSSIAA-RDJZCZTQSA-N 2 0 362.474 -0.065 20 0 FBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N(CC[NH3+])CCO)CC[N@@H+]1Cc1ccccc1 ZINC000419647329 484770316 /nfs/dbraw/zinc/77/03/16/484770316.db2.gz ANVVCCQKKSSIAA-WBVHZDCISA-N 2 0 362.474 -0.065 20 0 FBADRP C[NH+](C)CCOc1ccc(CCNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000419653121 484772448 /nfs/dbraw/zinc/77/24/48/484772448.db2.gz FHCABWCYXYQUEN-CALCHBBNSA-N 2 0 374.485 -0.037 20 0 FBADRP [NH3+]CCN(CCO)C(=O)C(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000419674216 484773122 /nfs/dbraw/zinc/77/31/22/484773122.db2.gz JYFITHWFQRKHMW-UHFFFAOYSA-N 2 0 354.495 -0.072 20 0 FBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000419684506 484772850 /nfs/dbraw/zinc/77/28/50/484772850.db2.gz MBPGIMUPSAKRPM-CABCVRRESA-N 2 0 352.479 -0.138 20 0 FBADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000419684508 484773721 /nfs/dbraw/zinc/77/37/21/484773721.db2.gz MBPGIMUPSAKRPM-GJZGRUSLSA-N 2 0 352.479 -0.138 20 0 FBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000419684510 484773945 /nfs/dbraw/zinc/77/39/45/484773945.db2.gz MBPGIMUPSAKRPM-HUUCEWRRSA-N 2 0 352.479 -0.138 20 0 FBADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000419684512 484772868 /nfs/dbraw/zinc/77/28/68/484772868.db2.gz MBPGIMUPSAKRPM-LSDHHAIUSA-N 2 0 352.479 -0.138 20 0 FBADRP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000419687640 484775230 /nfs/dbraw/zinc/77/52/30/484775230.db2.gz DZNXCUOTZZFEAO-AWEZNQCLSA-N 2 0 370.519 -0.431 20 0 FBADRP O=C(NC[C@H]1C[NH2+]CCO1)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000419687643 484774841 /nfs/dbraw/zinc/77/48/41/484774841.db2.gz DZNXCUOTZZFEAO-CQSZACIVSA-N 2 0 370.519 -0.431 20 0 FBADRP [NH3+]CCNC(=O)C(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000419687668 484774902 /nfs/dbraw/zinc/77/49/02/484774902.db2.gz FDEWOODCQPPWIR-UHFFFAOYSA-N 2 0 361.490 -0.225 20 0 FBADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419688468 484774375 /nfs/dbraw/zinc/77/43/75/484774375.db2.gz ATYOLOWFWFXXTC-INIZCTEOSA-N 2 0 353.511 -0.366 20 0 FBADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419688469 484775035 /nfs/dbraw/zinc/77/50/35/484775035.db2.gz ATYOLOWFWFXXTC-MRXNPFEDSA-N 2 0 353.511 -0.366 20 0 FBADRP [NH3+]C[C@H]1CN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)CCO1 ZINC000419688805 484775062 /nfs/dbraw/zinc/77/50/62/484775062.db2.gz HXAOITPNTQGWHK-AWEZNQCLSA-N 2 0 370.519 -0.350 20 0 FBADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)CCO1 ZINC000419688806 484774762 /nfs/dbraw/zinc/77/47/62/484774762.db2.gz HXAOITPNTQGWHK-CQSZACIVSA-N 2 0 370.519 -0.350 20 0 FBADRP [NH3+]CCN(CCO)C(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000419695852 484775110 /nfs/dbraw/zinc/77/51/10/484775110.db2.gz TVCJMYULBLEPHV-UHFFFAOYSA-N 2 0 358.508 -0.756 20 0 FBADRP COCC[NH2+]CCNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000419697345 484775462 /nfs/dbraw/zinc/77/54/62/484775462.db2.gz WRNYFYRDSPIRNG-UHFFFAOYSA-N 2 0 372.535 -0.184 20 0 FBADRP C[N@H+](CCNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)C1CCCC1 ZINC000419698105 484774660 /nfs/dbraw/zinc/77/46/60/484774660.db2.gz RYTCFDMJBPAIBA-AWEZNQCLSA-N 2 0 367.494 -0.710 20 0 FBADRP C[N@H+](CCNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)C1CCCC1 ZINC000419698108 484774722 /nfs/dbraw/zinc/77/47/22/484774722.db2.gz RYTCFDMJBPAIBA-CQSZACIVSA-N 2 0 367.494 -0.710 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000419703050 484776662 /nfs/dbraw/zinc/77/66/62/484776662.db2.gz CFHCDIUBTMSEFJ-HNNXBMFYSA-N 2 0 352.479 -0.185 20 0 FBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000419703051 484776944 /nfs/dbraw/zinc/77/69/44/484776944.db2.gz CFHCDIUBTMSEFJ-OAHLLOKOSA-N 2 0 352.479 -0.185 20 0 FBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000419703146 484776632 /nfs/dbraw/zinc/77/66/32/484776632.db2.gz CNXCFVQTJAFNCT-IXDOHACOSA-N 2 0 360.458 -0.223 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000419703148 484776087 /nfs/dbraw/zinc/77/60/87/484776087.db2.gz CNXCFVQTJAFNCT-YESZJQIVSA-N 2 0 360.458 -0.223 20 0 FBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)C[N@@H+]1Cc1ccccc1 ZINC000419704379 484776058 /nfs/dbraw/zinc/77/60/58/484776058.db2.gz GHHQLLNZPGZZOU-DJIMGWMZSA-N 2 0 360.458 -0.130 20 0 FBADRP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)C[N@@H+]1Cc1ccccc1 ZINC000419704380 484775940 /nfs/dbraw/zinc/77/59/40/484775940.db2.gz GHHQLLNZPGZZOU-HYVNUMGLSA-N 2 0 360.458 -0.130 20 0 FBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)C[N@@H+]1Cc1ccccc1 ZINC000419704381 484777048 /nfs/dbraw/zinc/77/70/48/484777048.db2.gz GHHQLLNZPGZZOU-OIISXLGYSA-N 2 0 360.458 -0.130 20 0 FBADRP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)C[N@@H+]1Cc1ccccc1 ZINC000419704382 484777017 /nfs/dbraw/zinc/77/70/17/484777017.db2.gz GHHQLLNZPGZZOU-PVAVHDDUSA-N 2 0 360.458 -0.130 20 0 FBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C[N@@H+]1Cc1ccccc1 ZINC000419706797 484776359 /nfs/dbraw/zinc/77/63/59/484776359.db2.gz LEMQYZLPHUJANY-DJIMGWMZSA-N 2 0 360.458 -0.048 20 0 FBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C[N@@H+]1Cc1ccccc1 ZINC000419706798 484776598 /nfs/dbraw/zinc/77/65/98/484776598.db2.gz LEMQYZLPHUJANY-HYVNUMGLSA-N 2 0 360.458 -0.048 20 0 FBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C[N@@H+]1Cc1ccccc1 ZINC000419706799 484776823 /nfs/dbraw/zinc/77/68/23/484776823.db2.gz LEMQYZLPHUJANY-OIISXLGYSA-N 2 0 360.458 -0.048 20 0 FBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C[N@@H+]1Cc1ccccc1 ZINC000419706800 484776469 /nfs/dbraw/zinc/77/64/69/484776469.db2.gz LEMQYZLPHUJANY-PVAVHDDUSA-N 2 0 360.458 -0.048 20 0 FBADRP C[C@@H]1C[C@H](NC(=O)C(=O)NCCN2CC[NH2+]CC2)C[N@@H+]1Cc1ccccc1 ZINC000419708314 484776133 /nfs/dbraw/zinc/77/61/33/484776133.db2.gz NEVAJEWZHXCIQL-AEFFLSMTSA-N 2 0 373.501 -0.213 20 0 FBADRP C[C@H]1C[C@@H](NC(=O)C(=O)NCCN2CC[NH2+]CC2)C[N@@H+]1Cc1ccccc1 ZINC000419708315 484776880 /nfs/dbraw/zinc/77/68/80/484776880.db2.gz NEVAJEWZHXCIQL-FUHWJXTLSA-N 2 0 373.501 -0.213 20 0 FBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCN2CC[NH2+]CC2)C[N@@H+]1Cc1ccccc1 ZINC000419708316 484776345 /nfs/dbraw/zinc/77/63/45/484776345.db2.gz NEVAJEWZHXCIQL-SJLPKXTDSA-N 2 0 373.501 -0.213 20 0 FBADRP C[C@H]1C[C@H](NC(=O)C(=O)NCCN2CC[NH2+]CC2)C[N@@H+]1Cc1ccccc1 ZINC000419708317 484776716 /nfs/dbraw/zinc/77/67/16/484776716.db2.gz NEVAJEWZHXCIQL-WMZOPIPTSA-N 2 0 373.501 -0.213 20 0 FBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000419720491 484777701 /nfs/dbraw/zinc/77/77/01/484777701.db2.gz FKZFRJWTHDZCEH-AWEZNQCLSA-N 2 0 355.483 -0.710 20 0 FBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000419720492 484778366 /nfs/dbraw/zinc/77/83/66/484778366.db2.gz FKZFRJWTHDZCEH-CQSZACIVSA-N 2 0 355.483 -0.710 20 0 FBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)C1 ZINC000419730410 484784183 /nfs/dbraw/zinc/78/41/83/484784183.db2.gz PXURGMGWTBCFIM-CVEARBPZSA-N 2 0 352.479 -0.186 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)C1 ZINC000419730411 484784401 /nfs/dbraw/zinc/78/44/01/484784401.db2.gz PXURGMGWTBCFIM-HOTGVXAUSA-N 2 0 352.479 -0.186 20 0 FBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)C1 ZINC000419730412 484784586 /nfs/dbraw/zinc/78/45/86/484784586.db2.gz PXURGMGWTBCFIM-HZPDHXFCSA-N 2 0 352.479 -0.186 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)C1 ZINC000419730413 484784227 /nfs/dbraw/zinc/78/42/27/484784227.db2.gz PXURGMGWTBCFIM-JKSUJKDBSA-N 2 0 352.479 -0.186 20 0 FBADRP CC[NH+](CC)CCNC(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000419740394 484779529 /nfs/dbraw/zinc/77/95/29/484779529.db2.gz XULIXYNUYAPQLQ-GFCCVEGCSA-N 2 0 367.416 -0.603 20 0 FBADRP CC[NH+](CC)CCNC(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000419740396 484779752 /nfs/dbraw/zinc/77/97/52/484779752.db2.gz XULIXYNUYAPQLQ-LBPRGKRZSA-N 2 0 367.416 -0.603 20 0 FBADRP [NH3+]C[C@H](NC(=O)C(=O)NCC1CC[NH+](CCO)CC1)C1CCCCC1 ZINC000419752009 484779725 /nfs/dbraw/zinc/77/97/25/484779725.db2.gz BOIXJFVJTCKWLS-INIZCTEOSA-N 2 0 354.495 -0.169 20 0 FBADRP [NH3+]C[C@@H](NC(=O)C(=O)NCC1CC[NH+](CCO)CC1)C1CCCCC1 ZINC000419752010 484780736 /nfs/dbraw/zinc/78/07/36/484780736.db2.gz BOIXJFVJTCKWLS-MRXNPFEDSA-N 2 0 354.495 -0.169 20 0 FBADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000419755945 484781013 /nfs/dbraw/zinc/78/10/13/484781013.db2.gz ABEZXRRGRFEICZ-AWEZNQCLSA-N 2 0 355.483 -0.852 20 0 FBADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000419755947 484780380 /nfs/dbraw/zinc/78/03/80/484780380.db2.gz ABEZXRRGRFEICZ-CQSZACIVSA-N 2 0 355.483 -0.852 20 0 FBADRP C[N@H+](CCNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)Cc1ccc(F)cc1 ZINC000419756129 484780286 /nfs/dbraw/zinc/78/02/86/484780286.db2.gz FSUZYQCRVNXZMM-INIZCTEOSA-N 2 0 366.437 -0.132 20 0 FBADRP C[N@H+](CCNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)Cc1ccc(F)cc1 ZINC000419756130 484780271 /nfs/dbraw/zinc/78/02/71/484780271.db2.gz FSUZYQCRVNXZMM-MRXNPFEDSA-N 2 0 366.437 -0.132 20 0 FBADRP C[N@H+](CCNC(=O)C(=O)NCCN1CC[NH2+]CC1)Cc1ccc(F)cc1 ZINC000419756174 484781632 /nfs/dbraw/zinc/78/16/32/484781632.db2.gz GCNCULKCJCUDBZ-UHFFFAOYSA-N 2 0 365.453 -0.605 20 0 FBADRP COC1CC[NH+](C2(CNC(=O)C(=O)N3CC[NH2+]CC3)CCCC2)CC1 ZINC000419757565 484780814 /nfs/dbraw/zinc/78/08/14/484780814.db2.gz URMPDUNGDGKYCQ-UHFFFAOYSA-N 2 0 352.479 -0.042 20 0 FBADRP C[N@H+](CCNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)Cc1ccc(F)cc1 ZINC000419761175 484781424 /nfs/dbraw/zinc/78/14/24/484781424.db2.gz PHFFNGRZIOOZJT-INIZCTEOSA-N 2 0 366.437 -0.050 20 0 FBADRP C[N@H+](CCNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)Cc1ccc(F)cc1 ZINC000419761177 484781539 /nfs/dbraw/zinc/78/15/39/484781539.db2.gz PHFFNGRZIOOZJT-MRXNPFEDSA-N 2 0 366.437 -0.050 20 0 FBADRP C[N@H+](CCNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)Cc1ccc(F)cc1 ZINC000419761681 484782353 /nfs/dbraw/zinc/78/23/53/484782353.db2.gz QPNUFWXIHRRROD-HNNXBMFYSA-N 2 0 352.410 -0.440 20 0 FBADRP C[N@H+](CCNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)Cc1ccc(F)cc1 ZINC000419761682 484782874 /nfs/dbraw/zinc/78/28/74/484782874.db2.gz QPNUFWXIHRRROD-OAHLLOKOSA-N 2 0 352.410 -0.440 20 0 FBADRP [NH3+]C1(CNC(=O)C(=O)NCC2CC[NH+](CCO)CC2)CCCCCC1 ZINC000419762960 484782039 /nfs/dbraw/zinc/78/20/39/484782039.db2.gz OTORZBLXIRITPZ-UHFFFAOYSA-N 2 0 354.495 -0.025 20 0 FBADRP C[N@H+](CCNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)Cc1ccc(F)cc1 ZINC000419765820 484783004 /nfs/dbraw/zinc/78/30/04/484783004.db2.gz XSVRGSKCOQMHBS-HNNXBMFYSA-N 2 0 352.410 -0.522 20 0 FBADRP C[N@H+](CCNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)Cc1ccc(F)cc1 ZINC000419765821 484782937 /nfs/dbraw/zinc/78/29/37/484782937.db2.gz XSVRGSKCOQMHBS-OAHLLOKOSA-N 2 0 352.410 -0.522 20 0 FBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000419767563 484782567 /nfs/dbraw/zinc/78/25/67/484782567.db2.gz BXYATHUYLOUZFG-GOEBONIOSA-N 2 0 366.437 -0.227 20 0 FBADRP CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)NCC1CC[NH+](CCO)CC1 ZINC000419768746 484782292 /nfs/dbraw/zinc/78/22/92/484782292.db2.gz SSQBSZUMDAIULV-HNNXBMFYSA-N 2 0 354.495 -0.299 20 0 FBADRP CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)NCC1CC[NH+](CCO)CC1 ZINC000419768748 484782883 /nfs/dbraw/zinc/78/28/83/484782883.db2.gz SSQBSZUMDAIULV-OAHLLOKOSA-N 2 0 354.495 -0.299 20 0 FBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000419771696 484781851 /nfs/dbraw/zinc/78/18/51/484781851.db2.gz FQCMLKLIAMVHCP-CABCVRRESA-N 2 0 369.510 -0.321 20 0 FBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000419771698 484782449 /nfs/dbraw/zinc/78/24/49/484782449.db2.gz FQCMLKLIAMVHCP-HUUCEWRRSA-N 2 0 369.510 -0.321 20 0 FBADRP C[NH+](C)CCOCCNC(=O)C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000419773007 484782521 /nfs/dbraw/zinc/78/25/21/484782521.db2.gz IGROQHLLIVGLBM-UHFFFAOYSA-N 2 0 366.506 -0.049 20 0 FBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000419775045 484783900 /nfs/dbraw/zinc/78/39/00/484783900.db2.gz KLQORJGBHRLRFU-JKSUJKDBSA-N 2 0 366.437 -0.227 20 0 FBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000419785276 484785033 /nfs/dbraw/zinc/78/50/33/484785033.db2.gz SKQNNARHRUPWIH-KGLIPLIRSA-N 2 0 355.483 -0.854 20 0 FBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000419785277 484785522 /nfs/dbraw/zinc/78/55/22/484785522.db2.gz SKQNNARHRUPWIH-ZIAGYGMSSA-N 2 0 355.483 -0.854 20 0 FBADRP CC(C)[NH+](CCNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)C(C)C ZINC000419796115 484785645 /nfs/dbraw/zinc/78/56/45/484785645.db2.gz MYOHATRBXIABGY-HNNXBMFYSA-N 2 0 369.510 -0.465 20 0 FBADRP CC(C)[NH+](CCNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)C(C)C ZINC000419796116 484785597 /nfs/dbraw/zinc/78/55/97/484785597.db2.gz MYOHATRBXIABGY-OAHLLOKOSA-N 2 0 369.510 -0.465 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])CC1 ZINC000419802820 484785488 /nfs/dbraw/zinc/78/54/88/484785488.db2.gz AWUFGMMUUBVKBV-BRWVUGGUSA-N 2 0 367.538 -0.038 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])CC1 ZINC000419802823 484785010 /nfs/dbraw/zinc/78/50/10/484785010.db2.gz AWUFGMMUUBVKBV-IKGGRYGDSA-N 2 0 367.538 -0.038 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])CC1 ZINC000419802824 484785043 /nfs/dbraw/zinc/78/50/43/484785043.db2.gz AWUFGMMUUBVKBV-IXDOHACOSA-N 2 0 367.538 -0.038 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])CC1 ZINC000419802825 484786010 /nfs/dbraw/zinc/78/60/10/484786010.db2.gz AWUFGMMUUBVKBV-ZACQAIPSSA-N 2 0 367.538 -0.038 20 0 FBADRP C[C@H](CNC(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C)C[NH+]1CCN(C)CC1 ZINC000419805081 484786046 /nfs/dbraw/zinc/78/60/46/484786046.db2.gz BWWJRYWGJFVEIE-CVEARBPZSA-N 2 0 367.538 -0.120 20 0 FBADRP C[C@@H](CNC(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C)C[NH+]1CCN(C)CC1 ZINC000419805083 484785880 /nfs/dbraw/zinc/78/58/80/484785880.db2.gz BWWJRYWGJFVEIE-HOTGVXAUSA-N 2 0 367.538 -0.120 20 0 FBADRP C[C@H](CNC(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C)C[NH+]1CCN(C)CC1 ZINC000419805086 484786158 /nfs/dbraw/zinc/78/61/58/484786158.db2.gz BWWJRYWGJFVEIE-HZPDHXFCSA-N 2 0 367.538 -0.120 20 0 FBADRP C[C@@H](CNC(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C)C[NH+]1CCN(C)CC1 ZINC000419805090 484785678 /nfs/dbraw/zinc/78/56/78/484785678.db2.gz BWWJRYWGJFVEIE-JKSUJKDBSA-N 2 0 367.538 -0.120 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000419811272 484787028 /nfs/dbraw/zinc/78/70/28/484787028.db2.gz FZONKZPUFNCKKH-BRWVUGGUSA-N 2 0 367.538 -0.038 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000419811273 484786567 /nfs/dbraw/zinc/78/65/67/484786567.db2.gz FZONKZPUFNCKKH-IKGGRYGDSA-N 2 0 367.538 -0.038 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000419811274 484787088 /nfs/dbraw/zinc/78/70/88/484787088.db2.gz FZONKZPUFNCKKH-IXDOHACOSA-N 2 0 367.538 -0.038 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000419811275 484786676 /nfs/dbraw/zinc/78/66/76/484786676.db2.gz FZONKZPUFNCKKH-ZACQAIPSSA-N 2 0 367.538 -0.038 20 0 FBADRP C[C@H](CNC(=O)C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+])C[NH+]1CCN(C)CC1 ZINC000419815808 484787578 /nfs/dbraw/zinc/78/75/78/484787578.db2.gz IAEDITFBFAQKDE-BZUAXINKSA-N 2 0 353.511 -0.428 20 0 FBADRP C[C@H](CNC(=O)C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+])C[NH+]1CCN(C)CC1 ZINC000419815811 484787326 /nfs/dbraw/zinc/78/73/26/484787326.db2.gz IAEDITFBFAQKDE-OAGGEKHMSA-N 2 0 353.511 -0.428 20 0 FBADRP C[C@H](CNC(=O)C(=O)N1CCC[C@H](C)[C@H]1C[NH3+])C[NH+]1CCN(C)CC1 ZINC000419815813 484787142 /nfs/dbraw/zinc/78/71/42/484787142.db2.gz IAEDITFBFAQKDE-OWCLPIDISA-N 2 0 353.511 -0.428 20 0 FBADRP C[C@H](CNC(=O)C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+])C[NH+]1CCN(C)CC1 ZINC000419815815 484787706 /nfs/dbraw/zinc/78/77/06/484787706.db2.gz IAEDITFBFAQKDE-PMPSAXMXSA-N 2 0 353.511 -0.428 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)CC1 ZINC000419817975 484787805 /nfs/dbraw/zinc/78/78/05/484787805.db2.gz IWMGOTVXHSTUKG-BZUAXINKSA-N 2 0 353.511 -0.415 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)CC1 ZINC000419817978 484787110 /nfs/dbraw/zinc/78/71/10/484787110.db2.gz IWMGOTVXHSTUKG-OAGGEKHMSA-N 2 0 353.511 -0.415 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)CC1 ZINC000419817980 484787168 /nfs/dbraw/zinc/78/71/68/484787168.db2.gz IWMGOTVXHSTUKG-OWCLPIDISA-N 2 0 353.511 -0.415 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)CC1 ZINC000419817983 484787818 /nfs/dbraw/zinc/78/78/18/484787818.db2.gz IWMGOTVXHSTUKG-PMPSAXMXSA-N 2 0 353.511 -0.415 20 0 FBADRP CN(C(=O)C(=O)NCC[NH3+])[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000419818776 484786814 /nfs/dbraw/zinc/78/68/14/484786814.db2.gz OXPOKSWJWKICRY-CVEARBPZSA-N 2 0 353.511 -0.143 20 0 FBADRP CN(C(=O)C(=O)NCC[NH3+])[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000419818779 484786725 /nfs/dbraw/zinc/78/67/25/484786725.db2.gz OXPOKSWJWKICRY-HOTGVXAUSA-N 2 0 353.511 -0.143 20 0 FBADRP CN(C(=O)C(=O)NCC[NH3+])[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000419818783 484787526 /nfs/dbraw/zinc/78/75/26/484787526.db2.gz OXPOKSWJWKICRY-HZPDHXFCSA-N 2 0 353.511 -0.143 20 0 FBADRP CN(C(=O)C(=O)NCC[NH3+])[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000419818786 484787232 /nfs/dbraw/zinc/78/72/32/484787232.db2.gz OXPOKSWJWKICRY-JKSUJKDBSA-N 2 0 353.511 -0.143 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCCC[C@H]2C[NH3+])CC1 ZINC000419821877 484787472 /nfs/dbraw/zinc/78/74/72/484787472.db2.gz LFTGTECXDPRMGY-CVEARBPZSA-N 2 0 353.511 -0.284 20 0 FBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCCC[C@H]2C[NH3+])CC1 ZINC000419821882 484787944 /nfs/dbraw/zinc/78/79/44/484787944.db2.gz LFTGTECXDPRMGY-HOTGVXAUSA-N 2 0 353.511 -0.284 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CC1 ZINC000419821884 484787628 /nfs/dbraw/zinc/78/76/28/484787628.db2.gz LFTGTECXDPRMGY-HZPDHXFCSA-N 2 0 353.511 -0.284 20 0 FBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CC1 ZINC000419821886 484786899 /nfs/dbraw/zinc/78/68/99/484786899.db2.gz LFTGTECXDPRMGY-JKSUJKDBSA-N 2 0 353.511 -0.284 20 0 FBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H](C)C[NH+]1CCN(CC)CC1 ZINC000419824885 484787848 /nfs/dbraw/zinc/78/78/48/484787848.db2.gz MSEOTYSIIRLQHO-DLBZAZTESA-N 2 0 367.538 -0.023 20 0 FBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC000419824888 484787889 /nfs/dbraw/zinc/78/78/89/484787889.db2.gz MSEOTYSIIRLQHO-IAGOWNOFSA-N 2 0 367.538 -0.023 20 0 FBADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H](C)C[NH+]1CCN(CC)CC1 ZINC000419824890 484787964 /nfs/dbraw/zinc/78/79/64/484787964.db2.gz MSEOTYSIIRLQHO-IRXDYDNUSA-N 2 0 367.538 -0.023 20 0 FBADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC000419824892 484786691 /nfs/dbraw/zinc/78/66/91/484786691.db2.gz MSEOTYSIIRLQHO-SJORKVTESA-N 2 0 367.538 -0.023 20 0 FBADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000419825385 484789111 /nfs/dbraw/zinc/78/91/11/484789111.db2.gz NEPIXRRKOHQEDL-CVEARBPZSA-N 2 0 353.511 -0.413 20 0 FBADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000419825389 484788554 /nfs/dbraw/zinc/78/85/54/484788554.db2.gz NEPIXRRKOHQEDL-HOTGVXAUSA-N 2 0 353.511 -0.413 20 0 FBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000419825391 484788588 /nfs/dbraw/zinc/78/85/88/484788588.db2.gz NEPIXRRKOHQEDL-HZPDHXFCSA-N 2 0 353.511 -0.413 20 0 FBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000419825393 484788755 /nfs/dbraw/zinc/78/87/55/484788755.db2.gz NEPIXRRKOHQEDL-JKSUJKDBSA-N 2 0 353.511 -0.413 20 0 FBADRP C[N@H+](CCN1CCN(C(=O)C(=O)NCCC[NH3+])CC1)Cc1ccccc1 ZINC000419827828 484788615 /nfs/dbraw/zinc/78/86/15/484788615.db2.gz CAPMZXHKXVYAIB-UHFFFAOYSA-N 2 0 361.490 -0.272 20 0 FBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CC1 ZINC000419828109 484789254 /nfs/dbraw/zinc/78/92/54/484789254.db2.gz OTKJTJFVUNUUAT-HNNXBMFYSA-N 2 0 353.511 -0.413 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CC1 ZINC000419828111 484788497 /nfs/dbraw/zinc/78/84/97/484788497.db2.gz OTKJTJFVUNUUAT-OAHLLOKOSA-N 2 0 353.511 -0.413 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)CC1 ZINC000419834028 484789224 /nfs/dbraw/zinc/78/92/24/484789224.db2.gz SVQYSEUQQBAWNC-BZUAXINKSA-N 2 0 353.511 -0.415 20 0 FBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)CC1 ZINC000419834030 484788718 /nfs/dbraw/zinc/78/87/18/484788718.db2.gz SVQYSEUQQBAWNC-HRCADAONSA-N 2 0 353.511 -0.415 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)CC1 ZINC000419834032 484789029 /nfs/dbraw/zinc/78/90/29/484789029.db2.gz SVQYSEUQQBAWNC-OAGGEKHMSA-N 2 0 353.511 -0.415 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)CC1 ZINC000419834033 484788989 /nfs/dbraw/zinc/78/89/89/484788989.db2.gz SVQYSEUQQBAWNC-PMPSAXMXSA-N 2 0 353.511 -0.415 20 0 FBADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000419835793 484789475 /nfs/dbraw/zinc/78/94/75/484789475.db2.gz AVLBIOINOQECNV-CVEARBPZSA-N 2 0 351.495 -0.517 20 0 FBADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000419835796 484789275 /nfs/dbraw/zinc/78/92/75/484789275.db2.gz AVLBIOINOQECNV-HOTGVXAUSA-N 2 0 351.495 -0.517 20 0 FBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000419835798 484789217 /nfs/dbraw/zinc/78/92/17/484789217.db2.gz AVLBIOINOQECNV-HZPDHXFCSA-N 2 0 351.495 -0.517 20 0 FBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000419835799 484789397 /nfs/dbraw/zinc/78/93/97/484789397.db2.gz AVLBIOINOQECNV-JKSUJKDBSA-N 2 0 351.495 -0.517 20 0 FBADRP C[C@H](CNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)C[NH+]1CCCC1 ZINC000419839317 484790600 /nfs/dbraw/zinc/79/06/00/484790600.db2.gz YPDBPZBOVOPAIR-CABCVRRESA-N 2 0 367.494 -0.852 20 0 FBADRP C[C@@H](CNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)C[NH+]1CCCC1 ZINC000419839318 484790679 /nfs/dbraw/zinc/79/06/79/484790679.db2.gz YPDBPZBOVOPAIR-GJZGRUSLSA-N 2 0 367.494 -0.852 20 0 FBADRP C[C@H](CNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)C[NH+]1CCCC1 ZINC000419839319 484790129 /nfs/dbraw/zinc/79/01/29/484790129.db2.gz YPDBPZBOVOPAIR-HUUCEWRRSA-N 2 0 367.494 -0.852 20 0 FBADRP C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)C[NH+]1CCCC1 ZINC000419839320 484790236 /nfs/dbraw/zinc/79/02/36/484790236.db2.gz YPDBPZBOVOPAIR-LSDHHAIUSA-N 2 0 367.494 -0.852 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)CCN1C1CC[NH+](C)CC1 ZINC000419842068 484790271 /nfs/dbraw/zinc/79/02/71/484790271.db2.gz LFWYJBGSFZIKEE-CABCVRRESA-N 2 0 351.495 -0.519 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)CCN1C1CC[NH+](C)CC1 ZINC000419842070 484790374 /nfs/dbraw/zinc/79/03/74/484790374.db2.gz LFWYJBGSFZIKEE-GJZGRUSLSA-N 2 0 351.495 -0.519 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CCN1C1CC[NH+](C)CC1 ZINC000419842072 484790440 /nfs/dbraw/zinc/79/04/40/484790440.db2.gz LFWYJBGSFZIKEE-HUUCEWRRSA-N 2 0 351.495 -0.519 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CCN1C1CC[NH+](C)CC1 ZINC000419842074 484790142 /nfs/dbraw/zinc/79/01/42/484790142.db2.gz LFWYJBGSFZIKEE-LSDHHAIUSA-N 2 0 351.495 -0.519 20 0 FBADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)NCCC[NH2+]C2CC2)CC1 ZINC000419842137 484790522 /nfs/dbraw/zinc/79/05/22/484790522.db2.gz HIMOMPKKCAALKJ-UHFFFAOYSA-N 2 0 365.478 -0.989 20 0 FBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCCC[NH2+]C2CC2)CC1 ZINC000419842941 484792276 /nfs/dbraw/zinc/79/22/76/484792276.db2.gz IZJFTEWWBLDSHL-HNNXBMFYSA-N 2 0 365.478 -0.990 20 0 FBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCCC[NH2+]C2CC2)CC1 ZINC000419842942 484791419 /nfs/dbraw/zinc/79/14/19/484791419.db2.gz IZJFTEWWBLDSHL-OAHLLOKOSA-N 2 0 365.478 -0.990 20 0 FBADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000419842993 484791549 /nfs/dbraw/zinc/79/15/49/484791549.db2.gz CFZDAKORKHGMTA-CALCHBBNSA-N 2 0 367.538 -0.118 20 0 FBADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000419842994 484791936 /nfs/dbraw/zinc/79/19/36/484791936.db2.gz CFZDAKORKHGMTA-IAGOWNOFSA-N 2 0 367.538 -0.118 20 0 FBADRP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000419842995 484791440 /nfs/dbraw/zinc/79/14/40/484791440.db2.gz CFZDAKORKHGMTA-IRXDYDNUSA-N 2 0 367.538 -0.118 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCCC[NH2+]C2CC2)CC1 ZINC000419843018 484792072 /nfs/dbraw/zinc/79/20/72/484792072.db2.gz CMFGDXJIHXMYIF-UHFFFAOYSA-N 2 0 367.494 -0.743 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)NCCC[NH2+]C2CC2)CCN1C1CC[NH+](C)CC1 ZINC000419843458 484791596 /nfs/dbraw/zinc/79/15/96/484791596.db2.gz JUXSHYCDTHUGPO-HNNXBMFYSA-N 2 0 365.522 -0.128 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)NCCC[NH2+]C2CC2)CCN1C1CC[NH+](C)CC1 ZINC000419843459 484791872 /nfs/dbraw/zinc/79/18/72/484791872.db2.gz JUXSHYCDTHUGPO-OAHLLOKOSA-N 2 0 365.522 -0.128 20 0 FBADRP C[NH+](C)CCOc1ccccc1N1CCN(C(=O)C(=O)NCC[NH3+])CC1 ZINC000419844531 484791779 /nfs/dbraw/zinc/79/17/79/484791779.db2.gz ZKDPFIXRUXYGTH-UHFFFAOYSA-N 2 0 363.462 -0.650 20 0 FBADRP C[NH2+]CCCNC(=O)C(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000419845209 484791843 /nfs/dbraw/zinc/79/18/43/484791843.db2.gz NISSRNNBAOWRKK-UHFFFAOYSA-N 2 0 353.511 -0.271 20 0 FBADRP O=C(NCCN1CC[NH2+]CC1)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000419846841 484791667 /nfs/dbraw/zinc/79/16/67/484791667.db2.gz ALHFREIVOVOSEP-UHFFFAOYSA-N 2 0 351.495 -0.515 20 0 FBADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419847612 484791622 /nfs/dbraw/zinc/79/16/22/484791622.db2.gz TWLQDQNRJSYZDD-FXAWDEMLSA-N 2 0 374.485 -0.050 20 0 FBADRP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419847613 484793730 /nfs/dbraw/zinc/79/37/30/484793730.db2.gz TWLQDQNRJSYZDD-PXNSSMCTSA-N 2 0 374.485 -0.050 20 0 FBADRP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419847614 484792686 /nfs/dbraw/zinc/79/26/86/484792686.db2.gz TWLQDQNRJSYZDD-XLIONFOSSA-N 2 0 374.485 -0.050 20 0 FBADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419847615 484793701 /nfs/dbraw/zinc/79/37/01/484793701.db2.gz TWLQDQNRJSYZDD-YLJYHZDGSA-N 2 0 374.485 -0.050 20 0 FBADRP C[NH2+]CCCNC(=O)C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000419848063 484792964 /nfs/dbraw/zinc/79/29/64/484792964.db2.gz SUINUHLYCNHSQJ-HOTGVXAUSA-N 2 0 353.511 -0.271 20 0 FBADRP C[NH2+]CCCNC(=O)C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000419848065 484793401 /nfs/dbraw/zinc/79/34/01/484793401.db2.gz SUINUHLYCNHSQJ-HZPDHXFCSA-N 2 0 353.511 -0.271 20 0 FBADRP C[NH2+]CCCNC(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000419848067 484792929 /nfs/dbraw/zinc/79/29/29/484792929.db2.gz SUINUHLYCNHSQJ-IYBDPMFKSA-N 2 0 353.511 -0.271 20 0 FBADRP CN1CCC(CNC(=O)C(=O)N[C@H]2CCC[NH2+]C2)([NH+]2CCCCC2)CC1 ZINC000419849648 484793535 /nfs/dbraw/zinc/79/35/35/484793535.db2.gz ZADWJIMZGVJXNL-INIZCTEOSA-N 2 0 365.522 -0.079 20 0 FBADRP CN1CCC(CNC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)([NH+]2CCCCC2)CC1 ZINC000419849649 484792728 /nfs/dbraw/zinc/79/27/28/484792728.db2.gz ZADWJIMZGVJXNL-MRXNPFEDSA-N 2 0 365.522 -0.079 20 0 FBADRP C[NH2+]CCCNC(=O)C(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000419849686 484792842 /nfs/dbraw/zinc/79/28/42/484792842.db2.gz ZBYSUHQOGQBDMI-IBGZPJMESA-N 2 0 362.474 -0.193 20 0 FBADRP C[NH2+]CCCNC(=O)C(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000419849687 484792796 /nfs/dbraw/zinc/79/27/96/484792796.db2.gz ZBYSUHQOGQBDMI-LJQANCHMSA-N 2 0 362.474 -0.193 20 0 FBADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000419849816 484793775 /nfs/dbraw/zinc/79/37/75/484793775.db2.gz ZJGFGMZOVJHAKW-BBWFWOEESA-N 2 0 365.522 -0.128 20 0 FBADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000419849817 484792742 /nfs/dbraw/zinc/79/27/42/484792742.db2.gz ZJGFGMZOVJHAKW-BRWVUGGUSA-N 2 0 365.522 -0.128 20 0 FBADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000419849818 484793766 /nfs/dbraw/zinc/79/37/66/484793766.db2.gz ZJGFGMZOVJHAKW-IXDOHACOSA-N 2 0 365.522 -0.128 20 0 FBADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000419849819 484793427 /nfs/dbraw/zinc/79/34/27/484793427.db2.gz ZJGFGMZOVJHAKW-ZACQAIPSSA-N 2 0 365.522 -0.128 20 0 FBADRP C[C@@H](CNC(=O)C(=O)NCCCN1CC[NH2+]CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000419849943 484793481 /nfs/dbraw/zinc/79/34/81/484793481.db2.gz DEQASTUMRILSJQ-CVEARBPZSA-N 2 0 353.511 -0.366 20 0 FBADRP C[C@@H](CNC(=O)C(=O)NCCCN1CC[NH2+]CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000419849944 484793294 /nfs/dbraw/zinc/79/32/94/484793294.db2.gz DEQASTUMRILSJQ-HOTGVXAUSA-N 2 0 353.511 -0.366 20 0 FBADRP C[C@H](CNC(=O)C(=O)NCCCN1CC[NH2+]CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000419849945 484792993 /nfs/dbraw/zinc/79/29/93/484792993.db2.gz DEQASTUMRILSJQ-HZPDHXFCSA-N 2 0 353.511 -0.366 20 0 FBADRP C[C@H](CNC(=O)C(=O)NCCCN1CC[NH2+]CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000419849946 484793070 /nfs/dbraw/zinc/79/30/70/484793070.db2.gz DEQASTUMRILSJQ-JKSUJKDBSA-N 2 0 353.511 -0.366 20 0 FBADRP O=C(NCCCN1CC[NH2+]CC1)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000419850211 484793612 /nfs/dbraw/zinc/79/36/12/484793612.db2.gz DWWBHHPEAOUVNW-HNNXBMFYSA-N 2 0 351.495 -0.469 20 0 FBADRP O=C(NCCCN1CC[NH2+]CC1)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000419850212 484793125 /nfs/dbraw/zinc/79/31/25/484793125.db2.gz DWWBHHPEAOUVNW-OAHLLOKOSA-N 2 0 351.495 -0.469 20 0 FBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NCCC[NH2+]C2CC2)CC1 ZINC000419850241 484792750 /nfs/dbraw/zinc/79/27/50/484792750.db2.gz FCYCPXCOKYJBTF-UHFFFAOYSA-N 2 0 361.446 -0.003 20 0 FBADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419851151 484793181 /nfs/dbraw/zinc/79/31/81/484793181.db2.gz IICMIGCKIPYGCR-UHFFFAOYSA-N 2 0 365.478 -0.419 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)NCCC[NH2+]C3CC3)CC2)c1 ZINC000419851230 484793163 /nfs/dbraw/zinc/79/31/63/484793163.db2.gz IPACPDHXHMUVHE-UHFFFAOYSA-N 2 0 361.446 -0.003 20 0 FBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]C2)CC1 ZINC000419851445 484792667 /nfs/dbraw/zinc/79/26/67/484792667.db2.gz AZNUSODMGQOTEI-AWEZNQCLSA-N 2 0 361.446 -0.145 20 0 FBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)CC1 ZINC000419851448 484792611 /nfs/dbraw/zinc/79/26/11/484792611.db2.gz AZNUSODMGQOTEI-CQSZACIVSA-N 2 0 361.446 -0.145 20 0 FBADRP C[C@@H](CNC(=O)C(=O)NCCCN1CC[NH2+]CC1)C[NH+]1CCCCC1 ZINC000419851511 484792642 /nfs/dbraw/zinc/79/26/42/484792642.db2.gz JCJLAICFHQFPDH-INIZCTEOSA-N 2 0 353.511 -0.364 20 0 FBADRP C[C@H](CNC(=O)C(=O)NCCCN1CC[NH2+]CC1)C[NH+]1CCCCC1 ZINC000419851513 484793509 /nfs/dbraw/zinc/79/35/09/484793509.db2.gz JCJLAICFHQFPDH-MRXNPFEDSA-N 2 0 353.511 -0.364 20 0 FBADRP O=C(NCCCN1CC[NH2+]CC1)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000419851815 484793375 /nfs/dbraw/zinc/79/33/75/484793375.db2.gz JSIILXUPYCZDHX-UHFFFAOYSA-N 2 0 365.522 -0.125 20 0 FBADRP CC(C)(CNC(=O)C(=O)NCCCN1CC[NH2+]CC1)C[NH+]1CCCC1 ZINC000419852074 484792723 /nfs/dbraw/zinc/79/27/23/484792723.db2.gz KFORFENCKBIJBP-UHFFFAOYSA-N 2 0 353.511 -0.364 20 0 FBADRP C[N@H+](CCNC(=O)C(=O)NCCCN1CC[NH2+]CC1)Cc1ccccc1 ZINC000419852349 484793407 /nfs/dbraw/zinc/79/34/07/484793407.db2.gz KZMRRIGGLRLVEA-UHFFFAOYSA-N 2 0 361.490 -0.354 20 0 FBADRP C[NH+](C)CC[C@H](NC(=O)C(=O)NCCCN1CC[NH2+]CC1)C(C)(C)C ZINC000419852663 484792868 /nfs/dbraw/zinc/79/28/68/484792868.db2.gz LTMZFTGNQSXEEV-HNNXBMFYSA-N 2 0 355.527 -0.120 20 0 FBADRP C[NH+](C)CC[C@@H](NC(=O)C(=O)NCCCN1CC[NH2+]CC1)C(C)(C)C ZINC000419852665 484793152 /nfs/dbraw/zinc/79/31/52/484793152.db2.gz LTMZFTGNQSXEEV-OAHLLOKOSA-N 2 0 355.527 -0.120 20 0 FBADRP O=C(NCCCN1CC[NH2+]CC1)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000419853419 484794443 /nfs/dbraw/zinc/79/44/43/484794443.db2.gz NFSZLSSCVKRIIP-KRWDZBQOSA-N 2 0 365.522 -0.125 20 0 FBADRP O=C(NCCCN1CC[NH2+]CC1)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000419853421 484794485 /nfs/dbraw/zinc/79/44/85/484794485.db2.gz NFSZLSSCVKRIIP-QGZVFWFLSA-N 2 0 365.522 -0.125 20 0 FBADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NCCCN1CC[NH2+]CC1)c1ccccc1 ZINC000419854260 484794628 /nfs/dbraw/zinc/79/46/28/484794628.db2.gz OTZNCASBVSNSGC-KRWDZBQOSA-N 2 0 361.490 -0.183 20 0 FBADRP C[NH+](C)[C@H](CNC(=O)C(=O)NCCCN1CC[NH2+]CC1)c1ccccc1 ZINC000419854262 484794317 /nfs/dbraw/zinc/79/43/17/484794317.db2.gz OTZNCASBVSNSGC-QGZVFWFLSA-N 2 0 361.490 -0.183 20 0 FBADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NCCC[NH2+]C2CC2)CC1 ZINC000419854951 484794845 /nfs/dbraw/zinc/79/48/45/484794845.db2.gz PXZCHLVLDGNWEB-KRWDZBQOSA-N 2 0 365.522 -0.127 20 0 FBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NCCC[NH2+]C2CC2)CC1 ZINC000419854955 484794459 /nfs/dbraw/zinc/79/44/59/484794459.db2.gz PXZCHLVLDGNWEB-QGZVFWFLSA-N 2 0 365.522 -0.127 20 0 FBADRP O=C(NCCCN1CC[NH2+]CC1)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000419857021 484794350 /nfs/dbraw/zinc/79/43/50/484794350.db2.gz UAXHUIALWHSWDJ-INIZCTEOSA-N 2 0 351.495 -0.515 20 0 FBADRP O=C(NCCCN1CC[NH2+]CC1)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000419857023 484794515 /nfs/dbraw/zinc/79/45/15/484794515.db2.gz UAXHUIALWHSWDJ-MRXNPFEDSA-N 2 0 351.495 -0.515 20 0 FBADRP O=C(NCCCN1CC[NH2+]CC1)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000419857058 484794227 /nfs/dbraw/zinc/79/42/27/484794227.db2.gz UDQNKCNQFPTHFI-INIZCTEOSA-N 2 0 351.495 -0.515 20 0 FBADRP O=C(NCCCN1CC[NH2+]CC1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000419857061 484794912 /nfs/dbraw/zinc/79/49/12/484794912.db2.gz UDQNKCNQFPTHFI-MRXNPFEDSA-N 2 0 351.495 -0.515 20 0 FBADRP O=C(NCCC[NH2+]C1CC1)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000419857075 484794428 /nfs/dbraw/zinc/79/44/28/484794428.db2.gz UHHRMYKQGNIYDG-UHFFFAOYSA-N 2 0 352.479 -0.185 20 0 FBADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)NC[C@H]([NH3+])C3CC3)CC2)CC1 ZINC000419857095 484794862 /nfs/dbraw/zinc/79/48/62/484794862.db2.gz FWYNIQKMWNCJOL-KRWDZBQOSA-N 2 0 365.522 -0.143 20 0 FBADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)NC[C@@H]([NH3+])C3CC3)CC2)CC1 ZINC000419857096 484794807 /nfs/dbraw/zinc/79/48/07/484794807.db2.gz FWYNIQKMWNCJOL-QGZVFWFLSA-N 2 0 365.522 -0.143 20 0 FBADRP C[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCCN2CC[NH2+]CC2)[C@@H]1c1ccccc1 ZINC000419857805 484794057 /nfs/dbraw/zinc/79/40/57/484794057.db2.gz VHJAMHLWMKZQAX-MSOLQXFVSA-N 2 0 373.501 -0.041 20 0 FBADRP C[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCCN2CC[NH2+]CC2)[C@H]1c1ccccc1 ZINC000419857808 484794789 /nfs/dbraw/zinc/79/47/89/484794789.db2.gz VHJAMHLWMKZQAX-QZTJIDSGSA-N 2 0 373.501 -0.041 20 0 FBADRP C[N@@H+]1CC[C@H](NC(=O)C(=O)NCCCN2CC[NH2+]CC2)[C@@H]1c1ccccc1 ZINC000419857812 484794567 /nfs/dbraw/zinc/79/45/67/484794567.db2.gz VHJAMHLWMKZQAX-ROUUACIJSA-N 2 0 373.501 -0.041 20 0 FBADRP C[N@@H+]1CC[C@H](NC(=O)C(=O)NCCCN2CC[NH2+]CC2)[C@H]1c1ccccc1 ZINC000419857815 484794730 /nfs/dbraw/zinc/79/47/30/484794730.db2.gz VHJAMHLWMKZQAX-ZWKOTPCHSA-N 2 0 373.501 -0.041 20 0 FBADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000419858949 484795597 /nfs/dbraw/zinc/79/55/97/484795597.db2.gz IWJWONXWEJGQMP-BFYDXBDKSA-N 2 0 365.522 -0.143 20 0 FBADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000419858951 484795763 /nfs/dbraw/zinc/79/57/63/484795763.db2.gz IWJWONXWEJGQMP-HLLBOEOZSA-N 2 0 365.522 -0.143 20 0 FBADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000419858953 484795618 /nfs/dbraw/zinc/79/56/18/484795618.db2.gz IWJWONXWEJGQMP-INMHGKMJSA-N 2 0 365.522 -0.143 20 0 FBADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000419858956 484795888 /nfs/dbraw/zinc/79/58/88/484795888.db2.gz IWJWONXWEJGQMP-UXLLHSPISA-N 2 0 365.522 -0.143 20 0 FBADRP O=C(NCCCN1CC[NH2+]CC1)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000419859026 484795823 /nfs/dbraw/zinc/79/58/23/484795823.db2.gz XUXCATRZRALXLX-UHFFFAOYSA-N 2 0 351.495 -0.515 20 0 FBADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419859681 484795586 /nfs/dbraw/zinc/79/55/86/484795586.db2.gz ZLAMXCKBCPAOGH-AWEZNQCLSA-N 2 0 352.479 -0.044 20 0 FBADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419859683 484795902 /nfs/dbraw/zinc/79/59/02/484795902.db2.gz ZLAMXCKBCPAOGH-CQSZACIVSA-N 2 0 352.479 -0.044 20 0 FBADRP O=C(NCCCN1CC[NH2+]CC1)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000419859890 484795468 /nfs/dbraw/zinc/79/54/68/484795468.db2.gz BCRMWQZZAAHCMR-INIZCTEOSA-N 2 0 351.495 -0.515 20 0 FBADRP O=C(NCCCN1CC[NH2+]CC1)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000419859891 484795688 /nfs/dbraw/zinc/79/56/88/484795688.db2.gz BCRMWQZZAAHCMR-MRXNPFEDSA-N 2 0 351.495 -0.515 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000419859944 483765103 /nfs/dbraw/zinc/76/51/03/483765103.db2.gz AALMKMUZOBJJNO-CABCVRRESA-N 2 0 367.494 -0.615 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000419859946 483765200 /nfs/dbraw/zinc/76/52/00/483765200.db2.gz AALMKMUZOBJJNO-GJZGRUSLSA-N 2 0 367.494 -0.615 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000419859949 483765257 /nfs/dbraw/zinc/76/52/57/483765257.db2.gz AALMKMUZOBJJNO-HUUCEWRRSA-N 2 0 367.494 -0.615 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000419859951 483765148 /nfs/dbraw/zinc/76/51/48/483765148.db2.gz AALMKMUZOBJJNO-LSDHHAIUSA-N 2 0 367.494 -0.615 20 0 FBADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000419860241 484795712 /nfs/dbraw/zinc/79/57/12/484795712.db2.gz BLUCQOXCTQOMPZ-KRWDZBQOSA-N 2 0 367.538 -0.118 20 0 FBADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000419860242 484795533 /nfs/dbraw/zinc/79/55/33/484795533.db2.gz BLUCQOXCTQOMPZ-QGZVFWFLSA-N 2 0 367.538 -0.118 20 0 FBADRP CC(C)[NH+](CCN(C)C(=O)C(=O)NCCCN1CC[NH2+]CC1)C(C)C ZINC000419860821 484795338 /nfs/dbraw/zinc/79/53/38/484795338.db2.gz CTKNDRWXBISQID-UHFFFAOYSA-N 2 0 355.527 -0.025 20 0 FBADRP O=C(NCCN1CC[NH2+]CC1)C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000419861074 484795660 /nfs/dbraw/zinc/79/56/60/484795660.db2.gz DEGGRYFXTSBPKD-UHFFFAOYSA-N 2 0 373.501 -0.258 20 0 FBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000419861197 484795394 /nfs/dbraw/zinc/79/53/94/484795394.db2.gz LPCIXOOGPQWPAF-CVEARBPZSA-N 2 0 351.495 -0.532 20 0 FBADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000419861200 484795446 /nfs/dbraw/zinc/79/54/46/484795446.db2.gz LPCIXOOGPQWPAF-HOTGVXAUSA-N 2 0 351.495 -0.532 20 0 FBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000419861202 484795548 /nfs/dbraw/zinc/79/55/48/484795548.db2.gz LPCIXOOGPQWPAF-HZPDHXFCSA-N 2 0 351.495 -0.532 20 0 FBADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000419861204 484795369 /nfs/dbraw/zinc/79/53/69/484795369.db2.gz LPCIXOOGPQWPAF-JKSUJKDBSA-N 2 0 351.495 -0.532 20 0 FBADRP O=C(NCCN1CC[NH2+]CC1)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000419861974 484796706 /nfs/dbraw/zinc/79/67/06/484796706.db2.gz FVXPLKXTPXERCX-INIZCTEOSA-N 2 0 351.495 -0.515 20 0 FBADRP O=C(NCCN1CC[NH2+]CC1)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000419861975 484796578 /nfs/dbraw/zinc/79/65/78/484796578.db2.gz FVXPLKXTPXERCX-MRXNPFEDSA-N 2 0 351.495 -0.515 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)CCN1C1CC[NH+](C)CC1 ZINC000419863615 484796594 /nfs/dbraw/zinc/79/65/94/484796594.db2.gz NTDSKPQXCUTARM-BBRMVZONSA-N 2 0 351.495 -0.533 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)CCN1C1CC[NH+](C)CC1 ZINC000419863616 484796879 /nfs/dbraw/zinc/79/68/79/484796879.db2.gz NTDSKPQXCUTARM-CJNGLKHVSA-N 2 0 351.495 -0.533 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CCN1C1CC[NH+](C)CC1 ZINC000419863618 484796660 /nfs/dbraw/zinc/79/66/60/484796660.db2.gz NTDSKPQXCUTARM-CZUORRHYSA-N 2 0 351.495 -0.533 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CCN1C1CC[NH+](C)CC1 ZINC000419863619 484796723 /nfs/dbraw/zinc/79/67/23/484796723.db2.gz NTDSKPQXCUTARM-XJKSGUPXSA-N 2 0 351.495 -0.533 20 0 FBADRP CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000419863636 484796858 /nfs/dbraw/zinc/79/68/58/484796858.db2.gz HXCDIOBXJKQLIS-UHFFFAOYSA-N 2 0 353.511 -0.412 20 0 FBADRP CN(C(=O)C(=O)NCCN1CC[NH2+]CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419863855 484796786 /nfs/dbraw/zinc/79/67/86/484796786.db2.gz IIZVZEDRTWUVFY-GOSISDBHSA-N 2 0 373.501 -0.259 20 0 FBADRP CN(C(=O)C(=O)NCCN1CC[NH2+]CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419863860 484796732 /nfs/dbraw/zinc/79/67/32/484796732.db2.gz IIZVZEDRTWUVFY-SFHVURJKSA-N 2 0 373.501 -0.259 20 0 FBADRP CC[NH+](CC)CC1CCN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000419864350 484796807 /nfs/dbraw/zinc/79/68/07/484796807.db2.gz INOGROPFSFOWSC-UHFFFAOYSA-N 2 0 367.538 -0.022 20 0 FBADRP C[NH+](C)CCCC1CCN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000419864416 484797259 /nfs/dbraw/zinc/79/72/59/484797259.db2.gz IVLYPGGXJWYGLL-UHFFFAOYSA-N 2 0 367.538 -0.022 20 0 FBADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419864439 484797342 /nfs/dbraw/zinc/79/73/42/484797342.db2.gz IXEYGYWRNSHPLJ-INIZCTEOSA-N 2 0 353.511 -0.269 20 0 FBADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419864440 484796607 /nfs/dbraw/zinc/79/66/07/484796607.db2.gz IXEYGYWRNSHPLJ-MRXNPFEDSA-N 2 0 353.511 -0.269 20 0 FBADRP O=C(NCCCN1CC[NH2+]CC1)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000419864460 484796496 /nfs/dbraw/zinc/79/64/96/484796496.db2.gz IYTFCWNBKDNTQI-KRWDZBQOSA-N 2 0 365.522 -0.221 20 0 FBADRP O=C(NCCCN1CC[NH2+]CC1)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000419864462 484796632 /nfs/dbraw/zinc/79/66/32/484796632.db2.gz IYTFCWNBKDNTQI-QGZVFWFLSA-N 2 0 365.522 -0.221 20 0 FBADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419865157 484797225 /nfs/dbraw/zinc/79/72/25/484797225.db2.gz JEQAGROELOPYCT-INIZCTEOSA-N 2 0 353.511 -0.221 20 0 FBADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419865159 484796889 /nfs/dbraw/zinc/79/68/89/484796889.db2.gz JEQAGROELOPYCT-MRXNPFEDSA-N 2 0 353.511 -0.221 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC2CCC([NH3+])CC2)CC1 ZINC000419866158 484796963 /nfs/dbraw/zinc/79/69/63/484796963.db2.gz GXUUDXGMZHKQAH-UHFFFAOYSA-N 2 0 367.494 -0.615 20 0 FBADRP C[C@@H](CNC(=O)C(=O)NCCCN1CC[NH2+]CC1)[NH+]1CCC(C)CC1 ZINC000419866210 484796585 /nfs/dbraw/zinc/79/65/85/484796585.db2.gz KFVJNECSAMUUQB-INIZCTEOSA-N 2 0 353.511 -0.366 20 0 FBADRP C[C@H](CNC(=O)C(=O)NCCCN1CC[NH2+]CC1)[NH+]1CCC(C)CC1 ZINC000419866215 484796533 /nfs/dbraw/zinc/79/65/33/484796533.db2.gz KFVJNECSAMUUQB-MRXNPFEDSA-N 2 0 353.511 -0.366 20 0 FBADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NCCN1CC[NH2+]CC1)c1cccc(F)c1 ZINC000419867136 484798050 /nfs/dbraw/zinc/79/80/50/484798050.db2.gz KTUZHUPUTJGURG-INIZCTEOSA-N 2 0 365.453 -0.434 20 0 FBADRP C[NH+](C)[C@H](CNC(=O)C(=O)NCCN1CC[NH2+]CC1)c1cccc(F)c1 ZINC000419867149 484798704 /nfs/dbraw/zinc/79/87/04/484798704.db2.gz KTUZHUPUTJGURG-MRXNPFEDSA-N 2 0 365.453 -0.434 20 0 FBADRP CC1CC[NH+](CCCNC(=O)C(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000419868059 484798192 /nfs/dbraw/zinc/79/81/92/484798192.db2.gz LLEDAWBXYHLMRE-UHFFFAOYSA-N 2 0 353.511 -0.364 20 0 FBADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419868103 484798160 /nfs/dbraw/zinc/79/81/60/484798160.db2.gz BYCFWDPVPFTBTN-UHFFFAOYSA-N 2 0 351.451 -0.809 20 0 FBADRP CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000419868651 484798804 /nfs/dbraw/zinc/79/88/04/484798804.db2.gz MECIUVZIUGUVFY-UHFFFAOYSA-N 2 0 367.538 -0.022 20 0 FBADRP CC[NH+](CC)CC1CCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000419868914 484797990 /nfs/dbraw/zinc/79/79/90/484797990.db2.gz MPEJFGIVDQKKHX-UHFFFAOYSA-N 2 0 353.511 -0.412 20 0 FBADRP O=C(NCCCN1CC[NH2+]CC1)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000419869245 484798832 /nfs/dbraw/zinc/79/88/32/484798832.db2.gz MQMCDRGPXYYNQA-INIZCTEOSA-N 2 0 351.495 -0.469 20 0 FBADRP O=C(NCCCN1CC[NH2+]CC1)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000419869247 484798417 /nfs/dbraw/zinc/79/84/17/484798417.db2.gz MQMCDRGPXYYNQA-MRXNPFEDSA-N 2 0 351.495 -0.469 20 0 FBADRP CC[NH2+]CCNC(=O)C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000419869765 484797848 /nfs/dbraw/zinc/79/78/48/484797848.db2.gz JEEYIOKPJCZNMF-HOTGVXAUSA-N 2 0 353.511 -0.271 20 0 FBADRP CC[NH2+]CCNC(=O)C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000419869768 484798762 /nfs/dbraw/zinc/79/87/62/484798762.db2.gz JEEYIOKPJCZNMF-HZPDHXFCSA-N 2 0 353.511 -0.271 20 0 FBADRP CC[NH2+]CCNC(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000419869770 484798405 /nfs/dbraw/zinc/79/84/05/484798405.db2.gz JEEYIOKPJCZNMF-IYBDPMFKSA-N 2 0 353.511 -0.271 20 0 FBADRP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419869946 484798472 /nfs/dbraw/zinc/79/84/72/484798472.db2.gz DDXAYHAZSUMMPJ-APWZRJJASA-N 2 0 360.458 -0.440 20 0 FBADRP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419869948 484797870 /nfs/dbraw/zinc/79/78/70/484797870.db2.gz DDXAYHAZSUMMPJ-LPHOPBHVSA-N 2 0 360.458 -0.440 20 0 FBADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419869951 484797999 /nfs/dbraw/zinc/79/79/99/484797999.db2.gz DDXAYHAZSUMMPJ-QFBILLFUSA-N 2 0 360.458 -0.440 20 0 FBADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419869953 484797883 /nfs/dbraw/zinc/79/78/83/484797883.db2.gz DDXAYHAZSUMMPJ-VQIMIIECSA-N 2 0 360.458 -0.440 20 0 FBADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419871218 484798389 /nfs/dbraw/zinc/79/83/89/484798389.db2.gz PJLAYJULHUWKBV-UHFFFAOYSA-N 2 0 367.519 -0.340 20 0 FBADRP O=C(NCCCN1CC[NH2+]CC1)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000419871800 484798547 /nfs/dbraw/zinc/79/85/47/484798547.db2.gz QACBGEKKBGITBB-UHFFFAOYSA-N 2 0 365.522 -0.125 20 0 FBADRP O=C(NCCN1CC[NH2+]CC1)C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000419872014 484800001 /nfs/dbraw/zinc/80/00/01/484800001.db2.gz FEUGBXLDZQBEIL-UHFFFAOYSA-N 2 0 365.522 -0.268 20 0 FBADRP CC(C)(CNC(=O)C(=O)NCCCN1CC[NH2+]CC1)[NH+]1CCCCC1 ZINC000419872407 484799925 /nfs/dbraw/zinc/79/99/25/484799925.db2.gz QPNVVEQTUBRXND-UHFFFAOYSA-N 2 0 353.511 -0.221 20 0 FBADRP CN1CCC(CNC(=O)C(=O)NC[C@H]([NH3+])C2CC2)([NH+]2CCCCC2)CC1 ZINC000419872613 484799339 /nfs/dbraw/zinc/79/93/39/484799339.db2.gz UQITWWPKZSENNO-INIZCTEOSA-N 2 0 365.522 -0.094 20 0 FBADRP CN1CCC(CNC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)([NH+]2CCCCC2)CC1 ZINC000419872615 484799198 /nfs/dbraw/zinc/79/91/98/484799198.db2.gz UQITWWPKZSENNO-MRXNPFEDSA-N 2 0 365.522 -0.094 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)NC[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000419873124 484807844 /nfs/dbraw/zinc/80/78/44/484807844.db2.gz YOOLGGMHWHIFOK-AWEZNQCLSA-N 2 0 361.446 -0.145 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)NC[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000419873126 484807326 /nfs/dbraw/zinc/80/73/26/484807326.db2.gz YOOLGGMHWHIFOK-CQSZACIVSA-N 2 0 361.446 -0.145 20 0 FBADRP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419873891 484807862 /nfs/dbraw/zinc/80/78/62/484807862.db2.gz SDHGNRNOFFBSJY-HOTGVXAUSA-N 2 0 353.511 -0.223 20 0 FBADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419873894 484807286 /nfs/dbraw/zinc/80/72/86/484807286.db2.gz SDHGNRNOFFBSJY-HZPDHXFCSA-N 2 0 353.511 -0.223 20 0 FBADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419873896 484807218 /nfs/dbraw/zinc/80/72/18/484807218.db2.gz SDHGNRNOFFBSJY-IYBDPMFKSA-N 2 0 353.511 -0.223 20 0 FBADRP C[C@@H](CCNC(=O)C(=O)NCCCN1CC[NH2+]CC1)[NH+]1CCCCC1 ZINC000419874318 484807923 /nfs/dbraw/zinc/80/79/23/484807923.db2.gz SWLQZCWPQPQMOY-INIZCTEOSA-N 2 0 353.511 -0.221 20 0 FBADRP C[C@H](CCNC(=O)C(=O)NCCCN1CC[NH2+]CC1)[NH+]1CCCCC1 ZINC000419874322 484807386 /nfs/dbraw/zinc/80/73/86/484807386.db2.gz SWLQZCWPQPQMOY-MRXNPFEDSA-N 2 0 353.511 -0.221 20 0 FBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]C2)CC1 ZINC000419874339 484807817 /nfs/dbraw/zinc/80/78/17/484807817.db2.gz ZPTRIIVVDZNYJF-DLBZAZTESA-N 2 0 365.522 -0.269 20 0 FBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)CC1 ZINC000419874342 484807451 /nfs/dbraw/zinc/80/74/51/484807451.db2.gz ZPTRIIVVDZNYJF-IAGOWNOFSA-N 2 0 365.522 -0.269 20 0 FBADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]C2)CC1 ZINC000419874347 484807660 /nfs/dbraw/zinc/80/76/60/484807660.db2.gz ZPTRIIVVDZNYJF-IRXDYDNUSA-N 2 0 365.522 -0.269 20 0 FBADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)CC1 ZINC000419874351 484807941 /nfs/dbraw/zinc/80/79/41/484807941.db2.gz ZPTRIIVVDZNYJF-SJORKVTESA-N 2 0 365.522 -0.269 20 0 FBADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419874621 484800283 /nfs/dbraw/zinc/80/02/83/484800283.db2.gz UFYUHGVAANBOLL-INIZCTEOSA-N 2 0 353.511 -0.221 20 0 FBADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419874622 484799175 /nfs/dbraw/zinc/79/91/75/484799175.db2.gz UFYUHGVAANBOLL-MRXNPFEDSA-N 2 0 353.511 -0.221 20 0 FBADRP CC1CCC([NH+]2CCN(C(=O)C(=O)NCCN3CC[NH2+]CC3)CC2)CC1 ZINC000419874799 484799650 /nfs/dbraw/zinc/79/96/50/484799650.db2.gz GJIVETQBGOOSLP-UHFFFAOYSA-N 2 0 365.522 -0.269 20 0 FBADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419874903 484800056 /nfs/dbraw/zinc/80/00/56/484800056.db2.gz ULOOHQXBPGORGL-HNNXBMFYSA-N 2 0 353.511 -0.366 20 0 FBADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419874904 484799536 /nfs/dbraw/zinc/79/95/36/484799536.db2.gz ULOOHQXBPGORGL-OAHLLOKOSA-N 2 0 353.511 -0.366 20 0 FBADRP C[NH+](C)CC1(CNC(=O)C(=O)NCCCN2CC[NH2+]CC2)CCCC1 ZINC000419874958 484799678 /nfs/dbraw/zinc/79/96/78/484799678.db2.gz UPXQBPCWPXFMFS-UHFFFAOYSA-N 2 0 353.511 -0.364 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]C2)CC1 ZINC000419875322 484800234 /nfs/dbraw/zinc/80/02/34/484800234.db2.gz DWHMIIMVQJDRGK-HNNXBMFYSA-N 2 0 367.494 -0.885 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)CC1 ZINC000419875326 484799697 /nfs/dbraw/zinc/79/96/97/484799697.db2.gz DWHMIIMVQJDRGK-OAHLLOKOSA-N 2 0 367.494 -0.885 20 0 FBADRP O=C(NCCN1CC[NH2+]CC1)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000419875434 484799451 /nfs/dbraw/zinc/79/94/51/484799451.db2.gz GZXOCRYMEGOGEC-UHFFFAOYSA-N 2 0 351.495 -0.515 20 0 FBADRP O=C(NCCCN1CC[NH2+]CC1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419875782 484800018 /nfs/dbraw/zinc/80/00/18/484800018.db2.gz VBZSQWHIRCDWNU-GOSISDBHSA-N 2 0 373.501 -0.211 20 0 FBADRP O=C(NCCCN1CC[NH2+]CC1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419875787 484799863 /nfs/dbraw/zinc/79/98/63/484799863.db2.gz VBZSQWHIRCDWNU-SFHVURJKSA-N 2 0 373.501 -0.211 20 0 FBADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419875941 484800258 /nfs/dbraw/zinc/80/02/58/484800258.db2.gz VKNWDMMUAUKKHZ-CVEARBPZSA-N 2 0 353.511 -0.366 20 0 FBADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419875942 484800218 /nfs/dbraw/zinc/80/02/18/484800218.db2.gz VKNWDMMUAUKKHZ-HOTGVXAUSA-N 2 0 353.511 -0.366 20 0 FBADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419875943 484799501 /nfs/dbraw/zinc/79/95/01/484799501.db2.gz VKNWDMMUAUKKHZ-HZPDHXFCSA-N 2 0 353.511 -0.366 20 0 FBADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419875944 484799937 /nfs/dbraw/zinc/79/99/37/484799937.db2.gz VKNWDMMUAUKKHZ-JKSUJKDBSA-N 2 0 353.511 -0.366 20 0 FBADRP C[N@H+](CCN1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1)Cc1ccccc1 ZINC000419876172 484800274 /nfs/dbraw/zinc/80/02/74/484800274.db2.gz HQAUKNNBRSWHLX-GOSISDBHSA-N 2 0 373.501 -0.259 20 0 FBADRP C[N@H+](CCN1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1)Cc1ccccc1 ZINC000419876174 484799621 /nfs/dbraw/zinc/79/96/21/484799621.db2.gz HQAUKNNBRSWHLX-SFHVURJKSA-N 2 0 373.501 -0.259 20 0 FBADRP O=C(NCCCN1CC[NH2+]CC1)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000419876469 484799257 /nfs/dbraw/zinc/79/92/57/484799257.db2.gz VSLJUUDWBBDRTD-KRWDZBQOSA-N 2 0 365.522 -0.125 20 0 FBADRP O=C(NCCCN1CC[NH2+]CC1)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000419876471 484799723 /nfs/dbraw/zinc/79/97/23/484799723.db2.gz VSLJUUDWBBDRTD-QGZVFWFLSA-N 2 0 365.522 -0.125 20 0 FBADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419876656 484799751 /nfs/dbraw/zinc/79/97/51/484799751.db2.gz XUBWRLNCSGAWPQ-FXAWDEMLSA-N 2 0 374.485 -0.065 20 0 FBADRP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419876658 484799894 /nfs/dbraw/zinc/79/98/94/484799894.db2.gz XUBWRLNCSGAWPQ-PXNSSMCTSA-N 2 0 374.485 -0.065 20 0 FBADRP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419876660 484799231 /nfs/dbraw/zinc/79/92/31/484799231.db2.gz XUBWRLNCSGAWPQ-XLIONFOSSA-N 2 0 374.485 -0.065 20 0 FBADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419876662 484799558 /nfs/dbraw/zinc/79/95/58/484799558.db2.gz XUBWRLNCSGAWPQ-YLJYHZDGSA-N 2 0 374.485 -0.065 20 0 FBADRP O=C(NCCN1CC[NH2+]CC1)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000419878226 484800089 /nfs/dbraw/zinc/80/00/89/484800089.db2.gz YAVVPVLYQYGBHV-DOTOQJQBSA-N 2 0 363.506 -0.517 20 0 FBADRP O=C(NCCN1CC[NH2+]CC1)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000419878233 484799980 /nfs/dbraw/zinc/79/99/80/484799980.db2.gz YAVVPVLYQYGBHV-NVXWUHKLSA-N 2 0 363.506 -0.517 20 0 FBADRP O=C(NCCN1CC[NH2+]CC1)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000419878240 484800153 /nfs/dbraw/zinc/80/01/53/484800153.db2.gz YAVVPVLYQYGBHV-RDJZCZTQSA-N 2 0 363.506 -0.517 20 0 FBADRP O=C(NCCN1CC[NH2+]CC1)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000419878249 484800106 /nfs/dbraw/zinc/80/01/06/484800106.db2.gz YAVVPVLYQYGBHV-WBVHZDCISA-N 2 0 363.506 -0.517 20 0 FBADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419878724 484801697 /nfs/dbraw/zinc/80/16/97/484801697.db2.gz YHVQZAALETVTGG-CVEARBPZSA-N 2 0 351.495 -0.517 20 0 FBADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419878852 484801346 /nfs/dbraw/zinc/80/13/46/484801346.db2.gz YRPXLEGDJNWEHK-UHFFFAOYSA-N 2 0 353.511 -0.268 20 0 FBADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419879576 484801158 /nfs/dbraw/zinc/80/11/58/484801158.db2.gz ZHWSRRFCNCSHAM-BBWFWOEESA-N 2 0 367.538 -0.120 20 0 FBADRP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419879577 484800627 /nfs/dbraw/zinc/80/06/27/484800627.db2.gz ZHWSRRFCNCSHAM-BRWVUGGUSA-N 2 0 367.538 -0.120 20 0 FBADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419879578 484801730 /nfs/dbraw/zinc/80/17/30/484801730.db2.gz ZHWSRRFCNCSHAM-IXDOHACOSA-N 2 0 367.538 -0.120 20 0 FBADRP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419879579 484800783 /nfs/dbraw/zinc/80/07/83/484800783.db2.gz ZHWSRRFCNCSHAM-ZACQAIPSSA-N 2 0 367.538 -0.120 20 0 FBADRP C[NH+](C)CCCC1CCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000419879599 484801461 /nfs/dbraw/zinc/80/14/61/484801461.db2.gz ZLIYSCGYSCAQFU-UHFFFAOYSA-N 2 0 353.511 -0.412 20 0 FBADRP CC[NH2+]CCNC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000419880460 484800858 /nfs/dbraw/zinc/80/08/58/484800858.db2.gz VBWMVZOQGGBXNX-XYPWUTKMSA-N 2 0 351.495 -0.519 20 0 FBADRP CC[NH2+]CCNC(=O)C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000419880960 484801422 /nfs/dbraw/zinc/80/14/22/484801422.db2.gz VRWRNXFJHQOUTR-UHFFFAOYSA-N 2 0 353.511 -0.221 20 0 FBADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)NCCN2CC[NH2+]CC2)o1 ZINC000419882227 484801522 /nfs/dbraw/zinc/80/15/22/484801522.db2.gz MDMGMNFUHLJAEB-UHFFFAOYSA-N 2 0 365.478 -0.500 20 0 FBADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000419882249 484800873 /nfs/dbraw/zinc/80/08/73/484800873.db2.gz MEQGDWCVZANPTC-BZUAXINKSA-N 2 0 351.495 -0.519 20 0 FBADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000419882251 484801538 /nfs/dbraw/zinc/80/15/38/484801538.db2.gz MEQGDWCVZANPTC-OAGGEKHMSA-N 2 0 351.495 -0.519 20 0 FBADRP C[NH2+]CCNC(=O)C(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000419882385 484801676 /nfs/dbraw/zinc/80/16/76/484801676.db2.gz XOSOTKLNPHGHFO-UHFFFAOYSA-N 2 0 361.490 -0.402 20 0 FBADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000419882665 484801258 /nfs/dbraw/zinc/80/12/58/484801258.db2.gz MEQGDWCVZANPTC-OWCLPIDISA-N 2 0 351.495 -0.519 20 0 FBADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000419882666 484801479 /nfs/dbraw/zinc/80/14/79/484801479.db2.gz MEQGDWCVZANPTC-XHSDSOJGSA-N 2 0 351.495 -0.519 20 0 FBADRP C[NH+](C)CCN(CC1CCCCC1)C(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419883989 484801364 /nfs/dbraw/zinc/80/13/64/484801364.db2.gz NJDBOIDFUKQLIO-UHFFFAOYSA-N 2 0 367.538 -0.022 20 0 FBADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419885187 484802695 /nfs/dbraw/zinc/80/26/95/484802695.db2.gz OJRQYCVGUPNECK-UHFFFAOYSA-N 2 0 367.519 -0.340 20 0 FBADRP O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000419885707 484802050 /nfs/dbraw/zinc/80/20/50/484802050.db2.gz OUCOOLHQBFNTSQ-INIZCTEOSA-N 2 0 352.479 -0.185 20 0 FBADRP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000419885709 484802900 /nfs/dbraw/zinc/80/29/00/484802900.db2.gz OUCOOLHQBFNTSQ-MRXNPFEDSA-N 2 0 352.479 -0.185 20 0 FBADRP CC[NH2+]CCNC(=O)C(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000419887855 484802342 /nfs/dbraw/zinc/80/23/42/484802342.db2.gz JLQMAZXRRAQBDA-UHFFFAOYSA-N 2 0 353.511 -0.271 20 0 FBADRP CN1CCC(CNC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)([NH+]2CCCCC2)CC1 ZINC000419890170 484802351 /nfs/dbraw/zinc/80/23/51/484802351.db2.gz IBUWWEGWTSFTSB-INIZCTEOSA-N 3 0 365.522 -0.079 20 0 FBADRP CN1CCC(CNC(=O)C(=O)NC[C@H]2CCC[NH2+]2)([NH+]2CCCCC2)CC1 ZINC000419890173 484801969 /nfs/dbraw/zinc/80/19/69/484801969.db2.gz IBUWWEGWTSFTSB-MRXNPFEDSA-N 3 0 365.522 -0.079 20 0 FBADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000419890576 484802479 /nfs/dbraw/zinc/80/24/79/484802479.db2.gz ISAMEYPGXHXRNJ-BBWFWOEESA-N 2 0 365.522 -0.128 20 0 FBADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000419890577 484802618 /nfs/dbraw/zinc/80/26/18/484802618.db2.gz ISAMEYPGXHXRNJ-BRWVUGGUSA-N 2 0 365.522 -0.128 20 0 FBADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000419890579 484802394 /nfs/dbraw/zinc/80/23/94/484802394.db2.gz ISAMEYPGXHXRNJ-IXDOHACOSA-N 2 0 365.522 -0.128 20 0 FBADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000419890581 484802708 /nfs/dbraw/zinc/80/27/08/484802708.db2.gz ISAMEYPGXHXRNJ-ZACQAIPSSA-N 2 0 365.522 -0.128 20 0 FBADRP CC[NH2+]CCNC(=O)C(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000419891083 484802205 /nfs/dbraw/zinc/80/22/05/484802205.db2.gz MUVCXTKQKFRQAV-IBGZPJMESA-N 2 0 362.474 -0.193 20 0 FBADRP CC[NH2+]CCNC(=O)C(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000419891085 484802776 /nfs/dbraw/zinc/80/27/76/484802776.db2.gz MUVCXTKQKFRQAV-LJQANCHMSA-N 2 0 362.474 -0.193 20 0 FBADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419893165 484803455 /nfs/dbraw/zinc/80/34/55/484803455.db2.gz LXESXEHZHSUYPD-FXAWDEMLSA-N 2 0 374.485 -0.050 20 0 FBADRP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419893168 484803291 /nfs/dbraw/zinc/80/32/91/484803291.db2.gz LXESXEHZHSUYPD-PXNSSMCTSA-N 2 0 374.485 -0.050 20 0 FBADRP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419893171 484803244 /nfs/dbraw/zinc/80/32/44/484803244.db2.gz LXESXEHZHSUYPD-XLIONFOSSA-N 2 0 374.485 -0.050 20 0 FBADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419893173 484804095 /nfs/dbraw/zinc/80/40/95/484804095.db2.gz LXESXEHZHSUYPD-YLJYHZDGSA-N 2 0 374.485 -0.050 20 0 FBADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000419893456 484803741 /nfs/dbraw/zinc/80/37/41/484803741.db2.gz MDNXPSGBFVGFQI-CVEARBPZSA-N 2 0 351.495 -0.517 20 0 FBADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000419893458 484803850 /nfs/dbraw/zinc/80/38/50/484803850.db2.gz MDNXPSGBFVGFQI-HOTGVXAUSA-N 2 0 351.495 -0.517 20 0 FBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000419893461 484803773 /nfs/dbraw/zinc/80/37/73/484803773.db2.gz MDNXPSGBFVGFQI-HZPDHXFCSA-N 2 0 351.495 -0.517 20 0 FBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000419893463 484803324 /nfs/dbraw/zinc/80/33/24/484803324.db2.gz MDNXPSGBFVGFQI-JKSUJKDBSA-N 2 0 351.495 -0.517 20 0 FBADRP CCCC[N@H+](C)CC1CCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000419894140 484803931 /nfs/dbraw/zinc/80/39/31/484803931.db2.gz WDZKXDIHFREKPI-UHFFFAOYSA-N 2 0 367.538 -0.022 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CCN1C1CC[NH+](C)CC1 ZINC000419894217 484803908 /nfs/dbraw/zinc/80/39/08/484803908.db2.gz NJAAXXDJWKKRIY-CABCVRRESA-N 2 0 351.495 -0.519 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CCN1C1CC[NH+](C)CC1 ZINC000419894219 484803608 /nfs/dbraw/zinc/80/36/08/484803608.db2.gz NJAAXXDJWKKRIY-GJZGRUSLSA-N 2 0 351.495 -0.519 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CCN1C1CC[NH+](C)CC1 ZINC000419894222 484803596 /nfs/dbraw/zinc/80/35/96/484803596.db2.gz NJAAXXDJWKKRIY-HUUCEWRRSA-N 2 0 351.495 -0.519 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CCN1C1CC[NH+](C)CC1 ZINC000419894224 484803944 /nfs/dbraw/zinc/80/39/44/484803944.db2.gz NJAAXXDJWKKRIY-LSDHHAIUSA-N 2 0 351.495 -0.519 20 0 FBADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)NC[C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000419896227 484803385 /nfs/dbraw/zinc/80/33/85/484803385.db2.gz UDXHMDNKFRXNRS-INIZCTEOSA-N 2 0 365.522 -0.128 20 0 FBADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)NC[C@H]3CCC[NH2+]3)CC2)CC1 ZINC000419896228 484803557 /nfs/dbraw/zinc/80/35/57/484803557.db2.gz UDXHMDNKFRXNRS-MRXNPFEDSA-N 2 0 365.522 -0.128 20 0 FBADRP O=C(NCCN1CC[NH2+]CC1)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000419898058 484804615 /nfs/dbraw/zinc/80/46/15/484804615.db2.gz ZJYIJYJIOQDDLA-INIZCTEOSA-N 2 0 351.495 -0.515 20 0 FBADRP O=C(NCCN1CC[NH2+]CC1)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000419898059 484805248 /nfs/dbraw/zinc/80/52/48/484805248.db2.gz ZJYIJYJIOQDDLA-MRXNPFEDSA-N 2 0 351.495 -0.515 20 0 FBADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000419906144 484804929 /nfs/dbraw/zinc/80/49/29/484804929.db2.gz ZJGFGMZOVJHAKW-YESZJQIVSA-N 2 0 365.522 -0.128 20 0 FBADRP CCC[NH2+]CCNC(=O)C(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000419908576 484806742 /nfs/dbraw/zinc/80/67/42/484806742.db2.gz IPPOPYSWNGYRNG-UHFFFAOYSA-N 2 0 355.483 -0.885 20 0 FBADRP CCC[NH2+]CCNC(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000419909971 484806148 /nfs/dbraw/zinc/80/61/48/484806148.db2.gz NHZQXDQDWMIWCM-HNNXBMFYSA-N 2 0 353.511 -0.271 20 0 FBADRP CCC[NH2+]CCNC(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000419909972 484806417 /nfs/dbraw/zinc/80/64/17/484806417.db2.gz NHZQXDQDWMIWCM-OAHLLOKOSA-N 2 0 353.511 -0.271 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)NCC[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000419912676 484806599 /nfs/dbraw/zinc/80/65/99/484806599.db2.gz LRJRSGNJWBJNHM-AWEZNQCLSA-N 2 0 361.446 -0.145 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)NCC[C@H]3CC[NH2+]C3)CC2)c1 ZINC000419912677 484806617 /nfs/dbraw/zinc/80/66/17/484806617.db2.gz LRJRSGNJWBJNHM-CQSZACIVSA-N 2 0 361.446 -0.145 20 0 FBADRP CCC[NH2+]CCNC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000419913240 484806382 /nfs/dbraw/zinc/80/63/82/484806382.db2.gz YSBOAPRUCNNTOJ-SJPCQFCGSA-N 2 0 365.522 -0.128 20 0 FBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)CC1 ZINC000419913530 484806040 /nfs/dbraw/zinc/80/60/40/484806040.db2.gz NATONLBJEITTRA-DLBZAZTESA-N 2 0 365.522 -0.269 20 0 FBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NCC[C@H]2CC[NH2+]C2)CC1 ZINC000419913532 484805789 /nfs/dbraw/zinc/80/57/89/484805789.db2.gz NATONLBJEITTRA-IAGOWNOFSA-N 2 0 365.522 -0.269 20 0 FBADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)CC1 ZINC000419913534 484806322 /nfs/dbraw/zinc/80/63/22/484806322.db2.gz NATONLBJEITTRA-IRXDYDNUSA-N 2 0 365.522 -0.269 20 0 FBADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NCC[C@H]2CC[NH2+]C2)CC1 ZINC000419913536 484806250 /nfs/dbraw/zinc/80/62/50/484806250.db2.gz NATONLBJEITTRA-SJORKVTESA-N 2 0 365.522 -0.269 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)CC1 ZINC000419914619 484806264 /nfs/dbraw/zinc/80/62/64/484806264.db2.gz OITXHNJUFFNKGT-HNNXBMFYSA-N 2 0 367.494 -0.885 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCC[C@H]2CC[NH2+]C2)CC1 ZINC000419914621 484806730 /nfs/dbraw/zinc/80/67/30/484806730.db2.gz OITXHNJUFFNKGT-OAHLLOKOSA-N 2 0 367.494 -0.885 20 0 FBADRP CCC[NH2+]CCNC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000419914819 484806119 /nfs/dbraw/zinc/80/61/19/484806119.db2.gz CIPZAFAIZZCILU-INIZCTEOSA-N 2 0 353.511 -0.269 20 0 FBADRP CCC[NH2+]CCNC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000419914820 484805877 /nfs/dbraw/zinc/80/58/77/484805877.db2.gz CIPZAFAIZZCILU-MRXNPFEDSA-N 2 0 353.511 -0.269 20 0 FBADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000419915971 484805843 /nfs/dbraw/zinc/80/58/43/484805843.db2.gz ZJGFGMZOVJHAKW-ULQDDVLXSA-N 2 0 365.522 -0.128 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@H]3CCCC[NH2+]C3)CC2)c1 ZINC000419920043 484807687 /nfs/dbraw/zinc/80/76/87/484807687.db2.gz BOTUFTXVMZJGHN-AWEZNQCLSA-N 2 0 361.446 -0.003 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H]3CCCC[NH2+]C3)CC2)c1 ZINC000419920044 484807884 /nfs/dbraw/zinc/80/78/84/484807884.db2.gz BOTUFTXVMZJGHN-CQSZACIVSA-N 2 0 361.446 -0.003 20 0 FBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)CC1 ZINC000419921042 484807470 /nfs/dbraw/zinc/80/74/70/484807470.db2.gz XJCYMEDPJZDLDS-AWEZNQCLSA-N 2 0 361.446 -0.145 20 0 FBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NCC[C@H]2CC[NH2+]C2)CC1 ZINC000419921043 484807234 /nfs/dbraw/zinc/80/72/34/484807234.db2.gz XJCYMEDPJZDLDS-CQSZACIVSA-N 2 0 361.446 -0.145 20 0 FBADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000419926636 484808550 /nfs/dbraw/zinc/80/85/50/484808550.db2.gz BKJCNDHGCXFFNL-CABCVRRESA-N 2 0 353.511 -0.415 20 0 FBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000419926637 484808940 /nfs/dbraw/zinc/80/89/40/484808940.db2.gz BKJCNDHGCXFFNL-GJZGRUSLSA-N 2 0 353.511 -0.415 20 0 FBADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000419926638 484808815 /nfs/dbraw/zinc/80/88/15/484808815.db2.gz BKJCNDHGCXFFNL-HUUCEWRRSA-N 2 0 353.511 -0.415 20 0 FBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000419926639 484810072 /nfs/dbraw/zinc/81/00/72/484810072.db2.gz BKJCNDHGCXFFNL-LSDHHAIUSA-N 2 0 353.511 -0.415 20 0 FBADRP C[N@H+](CCN1CCN(C(=O)C(=O)NCC2C[NH2+]C2)CC1)Cc1ccccc1 ZINC000419930190 484810158 /nfs/dbraw/zinc/81/01/58/484810158.db2.gz XPPHEKBZEWCNCZ-UHFFFAOYSA-N 2 0 373.501 -0.402 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)CCN1C1CC[NH+](C)CC1 ZINC000419931689 484810112 /nfs/dbraw/zinc/81/01/12/484810112.db2.gz DONXOQFRYNWIQH-HZPDHXFCSA-N 2 0 365.522 -0.128 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)CCN1C1CC[NH+](C)CC1 ZINC000419931690 484810526 /nfs/dbraw/zinc/81/05/26/484810526.db2.gz DONXOQFRYNWIQH-JKSUJKDBSA-N 2 0 365.522 -0.128 20 0 FBADRP O=C(NCC[C@H]1CCC[NH2+]1)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000419932126 484810885 /nfs/dbraw/zinc/81/08/85/484810885.db2.gz DVFBZHSAPRVAGS-MRXNPFEDSA-N 2 0 352.479 -0.185 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000419934331 484810191 /nfs/dbraw/zinc/81/01/91/484810191.db2.gz FXKXJGPOAPXIEJ-HNNXBMFYSA-N 2 0 367.494 -0.743 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000419934333 484810221 /nfs/dbraw/zinc/81/02/21/484810221.db2.gz FXKXJGPOAPXIEJ-OAHLLOKOSA-N 2 0 367.494 -0.743 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000419934878 484810039 /nfs/dbraw/zinc/81/00/39/484810039.db2.gz IASBZEDRSJQSGL-OAHLLOKOSA-N 2 0 367.494 -0.743 20 0 FBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000419934892 484810174 /nfs/dbraw/zinc/81/01/74/484810174.db2.gz ICMLOUCLZGBXOO-IAGOWNOFSA-N 2 0 365.522 -0.127 20 0 FBADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000419934893 484810501 /nfs/dbraw/zinc/81/05/01/484810501.db2.gz ICMLOUCLZGBXOO-SJORKVTESA-N 2 0 365.522 -0.127 20 0 FBADRP C[C@H](C[NH3+])CNC(=O)C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000419937644 484810918 /nfs/dbraw/zinc/81/09/18/484810918.db2.gz GHYUXOHRWNUVAU-BZUAXINKSA-N 2 0 353.511 -0.286 20 0 FBADRP C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000419937645 484810744 /nfs/dbraw/zinc/81/07/44/484810744.db2.gz GHYUXOHRWNUVAU-HRCADAONSA-N 2 0 353.511 -0.286 20 0 FBADRP C[C@H](C[NH3+])CNC(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000419937646 484810265 /nfs/dbraw/zinc/81/02/65/484810265.db2.gz GHYUXOHRWNUVAU-OAGGEKHMSA-N 2 0 353.511 -0.286 20 0 FBADRP C[C@H](C[NH3+])CNC(=O)C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000419937648 484810058 /nfs/dbraw/zinc/81/00/58/484810058.db2.gz GHYUXOHRWNUVAU-PMPSAXMXSA-N 2 0 353.511 -0.286 20 0 FBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000419941148 484812321 /nfs/dbraw/zinc/81/23/21/484812321.db2.gz WGILKBVAFJRCQZ-CQSZACIVSA-N 2 0 361.446 -0.003 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)NCC[C@H]3CCC[NH2+]3)CC2)c1 ZINC000419941193 484811604 /nfs/dbraw/zinc/81/16/04/484811604.db2.gz WMIVNKJJWJWLLD-CQSZACIVSA-N 2 0 361.446 -0.003 20 0 FBADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419942403 484812411 /nfs/dbraw/zinc/81/24/11/484812411.db2.gz ZQOHVEHARZNCPW-HUUCEWRRSA-N 2 0 352.479 -0.044 20 0 FBADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419942404 484811694 /nfs/dbraw/zinc/81/16/94/484811694.db2.gz ZQOHVEHARZNCPW-LSDHHAIUSA-N 2 0 352.479 -0.044 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H](C[NH3+])CC(C)C)CC1 ZINC000419947673 484811357 /nfs/dbraw/zinc/81/13/57/484811357.db2.gz DCBXJTVQZMPDCK-HNNXBMFYSA-N 2 0 369.510 -0.511 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H](C[NH3+])CC(C)C)CC1 ZINC000419947675 484812333 /nfs/dbraw/zinc/81/23/33/484812333.db2.gz DCBXJTVQZMPDCK-OAHLLOKOSA-N 2 0 369.510 -0.511 20 0 FBADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000419948766 484812445 /nfs/dbraw/zinc/81/24/45/484812445.db2.gz GFKBGGWYDSCTTF-HNNXBMFYSA-N 2 0 355.527 -0.040 20 0 FBADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000419948767 484812087 /nfs/dbraw/zinc/81/20/87/484812087.db2.gz GFKBGGWYDSCTTF-OAHLLOKOSA-N 2 0 355.527 -0.040 20 0 FBADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)NC[C@@H](C)C[NH3+])CC2)CC1 ZINC000419948915 484811905 /nfs/dbraw/zinc/81/19/05/484811905.db2.gz FLJAUELGKMFHPB-HNNXBMFYSA-N 2 0 353.511 -0.286 20 0 FBADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)NC[C@H](C)C[NH3+])CC2)CC1 ZINC000419948920 484811811 /nfs/dbraw/zinc/81/18/11/484811811.db2.gz FLJAUELGKMFHPB-OAHLLOKOSA-N 2 0 353.511 -0.286 20 0 FBADRP C[C@@H](C[NH3+])CNC(=O)C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000419950320 484813332 /nfs/dbraw/zinc/81/33/32/484813332.db2.gz HCGPVKSTTOTCDE-HNNXBMFYSA-N 2 0 353.511 -0.236 20 0 FBADRP C[C@H](C[NH3+])CNC(=O)C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000419950321 484813110 /nfs/dbraw/zinc/81/31/10/484813110.db2.gz HCGPVKSTTOTCDE-OAHLLOKOSA-N 2 0 353.511 -0.236 20 0 FBADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000419950689 484813233 /nfs/dbraw/zinc/81/32/33/484813233.db2.gz ITSZZFHOTFXJEE-CABCVRRESA-N 2 0 367.494 -0.759 20 0 FBADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000419950690 484813601 /nfs/dbraw/zinc/81/36/01/484813601.db2.gz ITSZZFHOTFXJEE-GJZGRUSLSA-N 2 0 367.494 -0.759 20 0 FBADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000419950780 484814026 /nfs/dbraw/zinc/81/40/26/484814026.db2.gz MVMCJMBUVBZWGC-OAHLLOKOSA-N 2 0 365.478 -0.989 20 0 FBADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000419950958 484814172 /nfs/dbraw/zinc/81/41/72/484814172.db2.gz ITSZZFHOTFXJEE-HUUCEWRRSA-N 2 0 367.494 -0.759 20 0 FBADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000419950959 484813675 /nfs/dbraw/zinc/81/36/75/484813675.db2.gz ITSZZFHOTFXJEE-LSDHHAIUSA-N 2 0 367.494 -0.759 20 0 FBADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000419952622 484813493 /nfs/dbraw/zinc/81/34/93/484813493.db2.gz OTJBEFBZEQXEBS-CVEARBPZSA-N 2 0 353.511 -0.413 20 0 FBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000419952623 484813751 /nfs/dbraw/zinc/81/37/51/484813751.db2.gz OTJBEFBZEQXEBS-HOTGVXAUSA-N 2 0 353.511 -0.413 20 0 FBADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000419952624 484813549 /nfs/dbraw/zinc/81/35/49/484813549.db2.gz OTJBEFBZEQXEBS-HZPDHXFCSA-N 2 0 353.511 -0.413 20 0 FBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000419952625 484814112 /nfs/dbraw/zinc/81/41/12/484814112.db2.gz OTJBEFBZEQXEBS-JKSUJKDBSA-N 2 0 353.511 -0.413 20 0 FBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000419953958 484814196 /nfs/dbraw/zinc/81/41/96/484814196.db2.gz QIISQVKTWYTDCH-AWEZNQCLSA-N 2 0 361.446 -0.003 20 0 FBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000419953959 484813901 /nfs/dbraw/zinc/81/39/01/484813901.db2.gz QIISQVKTWYTDCH-CQSZACIVSA-N 2 0 361.446 -0.003 20 0 FBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000419955461 484813438 /nfs/dbraw/zinc/81/34/38/484813438.db2.gz RQRYWPNMCLMAFX-CABCVRRESA-N 2 0 365.478 -0.990 20 0 FBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000419955462 484814202 /nfs/dbraw/zinc/81/42/02/484814202.db2.gz RQRYWPNMCLMAFX-HUUCEWRRSA-N 2 0 365.478 -0.990 20 0 FBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000419955897 484813647 /nfs/dbraw/zinc/81/36/47/484813647.db2.gz SDOHASOJIWVGHL-PMRDEQMMSA-N 2 0 365.522 -0.273 20 0 FBADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000419955898 484813979 /nfs/dbraw/zinc/81/39/79/484813979.db2.gz SDOHASOJIWVGHL-VPSFDDGASA-N 2 0 365.522 -0.273 20 0 FBADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419956989 484814045 /nfs/dbraw/zinc/81/40/45/484814045.db2.gz USWVRIWZTKMSOB-HNNXBMFYSA-N 2 0 353.511 -0.271 20 0 FBADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419956991 658944704 /nfs/dbraw/zinc/94/47/04/658944704.db2.gz USWVRIWZTKMSOB-OAHLLOKOSA-N 2 0 353.511 -0.271 20 0 FBADRP C[C@H](C[NH3+])CNC(=O)C(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000419961618 484809011 /nfs/dbraw/zinc/80/90/11/484809011.db2.gz UFRXOJCHAXWHNR-BEFAXECRSA-N 2 0 362.474 -0.207 20 0 FBADRP C[C@H](C[NH3+])CNC(=O)C(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000419961623 484808893 /nfs/dbraw/zinc/80/88/93/484808893.db2.gz UFRXOJCHAXWHNR-DNVCBOLYSA-N 2 0 362.474 -0.207 20 0 FBADRP C[C@@H](C[NH3+])CNC(=O)C(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000419961625 484808654 /nfs/dbraw/zinc/80/86/54/484808654.db2.gz UFRXOJCHAXWHNR-HNAYVOBHSA-N 2 0 362.474 -0.207 20 0 FBADRP C[C@@H](C[NH3+])CNC(=O)C(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000419961629 484809367 /nfs/dbraw/zinc/80/93/67/484809367.db2.gz UFRXOJCHAXWHNR-KXBFYZLASA-N 2 0 362.474 -0.207 20 0 FBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000419963061 484808421 /nfs/dbraw/zinc/80/84/21/484808421.db2.gz YLKAAIAJGRSEND-GVDBMIGSSA-N 2 0 367.538 -0.025 20 0 FBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000419963062 484809383 /nfs/dbraw/zinc/80/93/83/484809383.db2.gz YLKAAIAJGRSEND-ULQDDVLXSA-N 2 0 367.538 -0.025 20 0 FBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000419963063 484808974 /nfs/dbraw/zinc/80/89/74/484808974.db2.gz YLKAAIAJGRSEND-YESZJQIVSA-N 2 0 367.538 -0.025 20 0 FBADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000419963064 484808925 /nfs/dbraw/zinc/80/89/25/484808925.db2.gz YLKAAIAJGRSEND-ZACQAIPSSA-N 2 0 367.538 -0.025 20 0 FBADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000419965979 484809427 /nfs/dbraw/zinc/80/94/27/484809427.db2.gz XTTNXPXOYUKUMM-HNNXBMFYSA-N 2 0 367.494 -0.757 20 0 FBADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000419965981 484808638 /nfs/dbraw/zinc/80/86/38/484808638.db2.gz XTTNXPXOYUKUMM-OAHLLOKOSA-N 2 0 367.494 -0.757 20 0 FBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000419971636 484818537 /nfs/dbraw/zinc/81/85/37/484818537.db2.gz GHQIPYGHBDBEBB-FCLJQHQZSA-N 2 0 365.522 -0.145 20 0 FBADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000419971637 484818488 /nfs/dbraw/zinc/81/84/88/484818488.db2.gz GHQIPYGHBDBEBB-WFVVYAPDSA-N 2 0 365.522 -0.145 20 0 FBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000419976199 484819921 /nfs/dbraw/zinc/81/99/21/484819921.db2.gz LYQCJDYYLZKONA-GDBMZVCRSA-N 2 0 353.511 -0.287 20 0 FBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000419976200 484819997 /nfs/dbraw/zinc/81/99/97/484819997.db2.gz LYQCJDYYLZKONA-GOEBONIOSA-N 2 0 353.511 -0.287 20 0 FBADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000419976202 484819552 /nfs/dbraw/zinc/81/95/52/484819552.db2.gz LYQCJDYYLZKONA-HOCLYGCPSA-N 2 0 353.511 -0.287 20 0 FBADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000419976203 484819654 /nfs/dbraw/zinc/81/96/54/484819654.db2.gz LYQCJDYYLZKONA-ZBFHGGJFSA-N 2 0 353.511 -0.287 20 0 FBADRP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000419982710 484820070 /nfs/dbraw/zinc/82/00/70/484820070.db2.gz AJBNZCSRZHBOKB-HRCADAONSA-N 2 0 352.479 -0.199 20 0 FBADRP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000419982712 484819980 /nfs/dbraw/zinc/81/99/80/484819980.db2.gz AJBNZCSRZHBOKB-JYJNAYRXSA-N 2 0 352.479 -0.199 20 0 FBADRP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000419982717 484819278 /nfs/dbraw/zinc/81/92/78/484819278.db2.gz AJBNZCSRZHBOKB-OWCLPIDISA-N 2 0 352.479 -0.199 20 0 FBADRP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000419982719 484819840 /nfs/dbraw/zinc/81/98/40/484819840.db2.gz AJBNZCSRZHBOKB-PMPSAXMXSA-N 2 0 352.479 -0.199 20 0 FBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000419987013 484820633 /nfs/dbraw/zinc/82/06/33/484820633.db2.gz XUNAMBBPEWGLSU-INIZCTEOSA-N 2 0 367.538 -0.025 20 0 FBADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000419987014 484821102 /nfs/dbraw/zinc/82/11/02/484821102.db2.gz XUNAMBBPEWGLSU-MRXNPFEDSA-N 2 0 367.538 -0.025 20 0 FBADRP C[C@H](CC[NH3+])NC(=O)C(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000419987494 484821193 /nfs/dbraw/zinc/82/11/93/484821193.db2.gz DRIRKXREUZNQFA-BEFAXECRSA-N 2 0 362.474 -0.065 20 0 FBADRP C[C@H](CC[NH3+])NC(=O)C(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000419987496 484821154 /nfs/dbraw/zinc/82/11/54/484821154.db2.gz DRIRKXREUZNQFA-DNVCBOLYSA-N 2 0 362.474 -0.065 20 0 FBADRP C[C@@H](CC[NH3+])NC(=O)C(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000419987498 484820890 /nfs/dbraw/zinc/82/08/90/484820890.db2.gz DRIRKXREUZNQFA-HNAYVOBHSA-N 2 0 362.474 -0.065 20 0 FBADRP C[C@@H](CC[NH3+])NC(=O)C(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000419987501 484820503 /nfs/dbraw/zinc/82/05/03/484820503.db2.gz DRIRKXREUZNQFA-KXBFYZLASA-N 2 0 362.474 -0.065 20 0 FBADRP C[C@H](CC[NH3+])NC(=O)C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000419988341 484821118 /nfs/dbraw/zinc/82/11/18/484821118.db2.gz HUYHPOSUNVGBQM-BZUAXINKSA-N 2 0 353.511 -0.143 20 0 FBADRP C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000419988343 484820794 /nfs/dbraw/zinc/82/07/94/484820794.db2.gz HUYHPOSUNVGBQM-HRCADAONSA-N 2 0 353.511 -0.143 20 0 FBADRP C[C@H](CC[NH3+])NC(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000419988345 484821129 /nfs/dbraw/zinc/82/11/29/484821129.db2.gz HUYHPOSUNVGBQM-OAGGEKHMSA-N 2 0 353.511 -0.143 20 0 FBADRP C[C@H](CC[NH3+])NC(=O)C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000419988347 484820950 /nfs/dbraw/zinc/82/09/50/484820950.db2.gz HUYHPOSUNVGBQM-PMPSAXMXSA-N 2 0 353.511 -0.143 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)CCN1C1CC[NH+](C)CC1 ZINC000419992289 484820835 /nfs/dbraw/zinc/82/08/35/484820835.db2.gz FEOFOJHIJQEPPA-CVEARBPZSA-N 2 0 365.522 -0.128 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)CCN1C1CC[NH+](C)CC1 ZINC000419992292 484821079 /nfs/dbraw/zinc/82/10/79/484821079.db2.gz FEOFOJHIJQEPPA-HOTGVXAUSA-N 2 0 365.522 -0.128 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)CCN1C1CC[NH+](C)CC1 ZINC000419992295 484820994 /nfs/dbraw/zinc/82/09/94/484820994.db2.gz FEOFOJHIJQEPPA-HZPDHXFCSA-N 2 0 365.522 -0.128 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)CCN1C1CC[NH+](C)CC1 ZINC000419992297 484821014 /nfs/dbraw/zinc/82/10/14/484821014.db2.gz FEOFOJHIJQEPPA-JKSUJKDBSA-N 2 0 365.522 -0.128 20 0 FBADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N[C@@H](C)CC[NH3+])CC2)CC1 ZINC000419995062 484821967 /nfs/dbraw/zinc/82/19/67/484821967.db2.gz MEQHVZQCVJCFFD-HNNXBMFYSA-N 2 0 353.511 -0.143 20 0 FBADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N[C@H](C)CC[NH3+])CC2)CC1 ZINC000419995066 484822560 /nfs/dbraw/zinc/82/25/60/484822560.db2.gz MEQHVZQCVJCFFD-OAHLLOKOSA-N 2 0 353.511 -0.143 20 0 FBADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419998534 484822306 /nfs/dbraw/zinc/82/23/06/484822306.db2.gz LUEHBIFATSXKEJ-GJZGRUSLSA-N 2 0 352.479 -0.044 20 0 FBADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419998536 484822314 /nfs/dbraw/zinc/82/23/14/484822314.db2.gz LUEHBIFATSXKEJ-LSDHHAIUSA-N 2 0 352.479 -0.044 20 0 FBADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000419999417 484821990 /nfs/dbraw/zinc/82/19/90/484821990.db2.gz OMSPVUXHPPAWBA-CVEARBPZSA-N 2 0 353.511 -0.286 20 0 FBADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000419999419 484822021 /nfs/dbraw/zinc/82/20/21/484822021.db2.gz OMSPVUXHPPAWBA-HOTGVXAUSA-N 2 0 353.511 -0.286 20 0 FBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000419999422 484822422 /nfs/dbraw/zinc/82/24/22/484822422.db2.gz OMSPVUXHPPAWBA-HZPDHXFCSA-N 2 0 353.511 -0.286 20 0 FBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000419999424 484822634 /nfs/dbraw/zinc/82/26/34/484822634.db2.gz OMSPVUXHPPAWBA-JKSUJKDBSA-N 2 0 353.511 -0.286 20 0 FBADRP O=C(N[C@H]1CCCC[NH2+]C1)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000420004852 484815578 /nfs/dbraw/zinc/81/55/78/484815578.db2.gz WBLASEQRUPJKFN-CVEARBPZSA-N 2 0 352.479 -0.185 20 0 FBADRP O=C(N[C@H]1CCCC[NH2+]C1)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000420004853 484815194 /nfs/dbraw/zinc/81/51/94/484815194.db2.gz WBLASEQRUPJKFN-HOTGVXAUSA-N 2 0 352.479 -0.185 20 0 FBADRP O=C(N[C@@H]1CCCC[NH2+]C1)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000420005165 484815316 /nfs/dbraw/zinc/81/53/16/484815316.db2.gz WBLASEQRUPJKFN-HZPDHXFCSA-N 2 0 352.479 -0.185 20 0 FBADRP O=C(N[C@@H]1CCCC[NH2+]C1)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000420005166 484815598 /nfs/dbraw/zinc/81/55/98/484815598.db2.gz WBLASEQRUPJKFN-JKSUJKDBSA-N 2 0 352.479 -0.185 20 0 FBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000420007214 484815400 /nfs/dbraw/zinc/81/54/00/484815400.db2.gz ZEKKDGCRUPDHMH-DLBZAZTESA-N 2 0 365.522 -0.127 20 0 FBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000420007215 484815037 /nfs/dbraw/zinc/81/50/37/484815037.db2.gz ZEKKDGCRUPDHMH-IAGOWNOFSA-N 2 0 365.522 -0.127 20 0 FBADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000420007216 484814867 /nfs/dbraw/zinc/81/48/67/484814867.db2.gz ZEKKDGCRUPDHMH-IRXDYDNUSA-N 2 0 365.522 -0.127 20 0 FBADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000420007217 484815050 /nfs/dbraw/zinc/81/50/50/484815050.db2.gz ZEKKDGCRUPDHMH-SJORKVTESA-N 2 0 365.522 -0.127 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@H]([NH3+])C(C)C)CC1 ZINC000420011381 484816379 /nfs/dbraw/zinc/81/63/79/484816379.db2.gz HYJRGOUNQYDGNS-AWEZNQCLSA-N 2 0 355.483 -0.902 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@@H]([NH3+])C(C)C)CC1 ZINC000420011382 484816064 /nfs/dbraw/zinc/81/60/64/484816064.db2.gz HYJRGOUNQYDGNS-CQSZACIVSA-N 2 0 355.483 -0.902 20 0 FBADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000420011777 484816919 /nfs/dbraw/zinc/81/69/19/484816919.db2.gz AEOIEEFBKKKNJZ-DZGCQCFKSA-N 2 0 370.494 -0.215 20 0 FBADRP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000420011778 484816514 /nfs/dbraw/zinc/81/65/14/484816514.db2.gz AEOIEEFBKKKNJZ-HIFRSBDPSA-N 2 0 370.494 -0.215 20 0 FBADRP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000420011780 484816393 /nfs/dbraw/zinc/81/63/93/484816393.db2.gz AEOIEEFBKKKNJZ-UKRRQHHQSA-N 2 0 370.494 -0.215 20 0 FBADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000420011781 484816781 /nfs/dbraw/zinc/81/67/81/484816781.db2.gz AEOIEEFBKKKNJZ-ZFWWWQNUSA-N 2 0 370.494 -0.215 20 0 FBADRP C[C@H](C[NH3+])NC(=O)C(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000420015176 484816527 /nfs/dbraw/zinc/81/65/27/484816527.db2.gz PQNKDRJJJNQOHL-MRXNPFEDSA-N 2 0 361.490 -0.274 20 0 FBADRP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000420024543 484828731 /nfs/dbraw/zinc/82/87/31/484828731.db2.gz BFJMXEDQWYPACH-BARDWOONSA-N 2 0 370.494 -0.169 20 0 FBADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000420024546 484829006 /nfs/dbraw/zinc/82/90/06/484829006.db2.gz BFJMXEDQWYPACH-KBXIAJHMSA-N 2 0 370.494 -0.169 20 0 FBADRP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000420024548 484827931 /nfs/dbraw/zinc/82/79/31/484827931.db2.gz BFJMXEDQWYPACH-TUVASFSCSA-N 2 0 370.494 -0.169 20 0 FBADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000420024551 484827883 /nfs/dbraw/zinc/82/78/83/484827883.db2.gz BFJMXEDQWYPACH-XGUBFFRZSA-N 2 0 370.494 -0.169 20 0 FBADRP C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000420030457 484829433 /nfs/dbraw/zinc/82/94/33/484829433.db2.gz PQNKDRJJJNQOHL-INIZCTEOSA-N 2 0 361.490 -0.274 20 0 FBADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCC[C@H]1CN1CCOCC1 ZINC000420034929 484831783 /nfs/dbraw/zinc/83/17/83/484831783.db2.gz JWXFDMXERXRTIR-KKUMJFAQSA-N 2 0 368.478 -0.461 20 0 FBADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCC[C@@H]1CN1CCOCC1 ZINC000420034933 484831429 /nfs/dbraw/zinc/83/14/29/484831429.db2.gz JWXFDMXERXRTIR-RRFJBIMHSA-N 2 0 368.478 -0.461 20 0 FBADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCC[C@H]1CN1CCOCC1 ZINC000420034935 484831291 /nfs/dbraw/zinc/83/12/91/484831291.db2.gz JWXFDMXERXRTIR-SOUVJXGZSA-N 2 0 368.478 -0.461 20 0 FBADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCC[C@@H]1CN1CCOCC1 ZINC000420034937 484831142 /nfs/dbraw/zinc/83/11/42/484831142.db2.gz JWXFDMXERXRTIR-ZNMIVQPWSA-N 2 0 368.478 -0.461 20 0 FBADRP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000420036338 484831197 /nfs/dbraw/zinc/83/11/97/484831197.db2.gz KVFKSNDKSRDHJO-BARDWOONSA-N 2 0 370.494 -0.217 20 0 FBADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000420036339 484831664 /nfs/dbraw/zinc/83/16/64/484831664.db2.gz KVFKSNDKSRDHJO-LJISPDSOSA-N 2 0 370.494 -0.217 20 0 FBADRP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000420036340 484830972 /nfs/dbraw/zinc/83/09/72/484830972.db2.gz KVFKSNDKSRDHJO-LXTVHRRPSA-N 2 0 370.494 -0.217 20 0 FBADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000420036341 484831016 /nfs/dbraw/zinc/83/10/16/484831016.db2.gz KVFKSNDKSRDHJO-XGUBFFRZSA-N 2 0 370.494 -0.217 20 0 FBADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000420045114 484822403 /nfs/dbraw/zinc/82/24/03/484822403.db2.gz UMLYMURACSHWFY-KKUMJFAQSA-N 2 0 370.494 -0.215 20 0 FBADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000420045115 484822376 /nfs/dbraw/zinc/82/23/76/484822376.db2.gz UMLYMURACSHWFY-RRFJBIMHSA-N 2 0 370.494 -0.215 20 0 FBADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000420045116 484822043 /nfs/dbraw/zinc/82/20/43/484822043.db2.gz UMLYMURACSHWFY-SOUVJXGZSA-N 2 0 370.494 -0.215 20 0 FBADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000420045117 484822283 /nfs/dbraw/zinc/82/22/83/484822283.db2.gz UMLYMURACSHWFY-ZNMIVQPWSA-N 2 0 370.494 -0.215 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])CCN1C1CC[NH+](C)CC1 ZINC000420050206 484823332 /nfs/dbraw/zinc/82/33/32/484823332.db2.gz UYFHEVUHRULXQS-BFYDXBDKSA-N 2 0 365.522 -0.143 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[C@H]2C[NH3+])CCN1C1CC[NH+](C)CC1 ZINC000420050208 484823087 /nfs/dbraw/zinc/82/30/87/484823087.db2.gz UYFHEVUHRULXQS-HLLBOEOZSA-N 2 0 365.522 -0.143 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[C@@H]2C[NH3+])CCN1C1CC[NH+](C)CC1 ZINC000420050209 484823882 /nfs/dbraw/zinc/82/38/82/484823882.db2.gz UYFHEVUHRULXQS-INMHGKMJSA-N 2 0 365.522 -0.143 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[C@H]2C[NH3+])CCN1C1CC[NH+](C)CC1 ZINC000420050211 484824332 /nfs/dbraw/zinc/82/43/32/484824332.db2.gz UYFHEVUHRULXQS-VYDXJSESSA-N 2 0 365.522 -0.143 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CCN1C1CC[NH+](C)CC1 ZINC000420052163 484824162 /nfs/dbraw/zinc/82/41/62/484824162.db2.gz CQNZHTVACCMRRS-BBRMVZONSA-N 2 0 351.495 -0.533 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CCN1C1CC[NH+](C)CC1 ZINC000420052165 484823124 /nfs/dbraw/zinc/82/31/24/484823124.db2.gz CQNZHTVACCMRRS-CJNGLKHVSA-N 2 0 351.495 -0.533 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)CCN1C1CC[NH+](C)CC1 ZINC000420052167 484823529 /nfs/dbraw/zinc/82/35/29/484823529.db2.gz CQNZHTVACCMRRS-CZUORRHYSA-N 2 0 351.495 -0.533 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)CCN1C1CC[NH+](C)CC1 ZINC000420052169 484823681 /nfs/dbraw/zinc/82/36/81/484823681.db2.gz CQNZHTVACCMRRS-XJKSGUPXSA-N 2 0 351.495 -0.533 20 0 FBADRP Cn1ccnc1CN1CCN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000420057166 484825291 /nfs/dbraw/zinc/82/52/91/484825291.db2.gz JBGPGOBRKRHSKX-CABCVRRESA-N 2 0 362.478 -0.302 20 0 FBADRP Cn1ccnc1CN1CCN(C(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000420057167 484824869 /nfs/dbraw/zinc/82/48/69/484824869.db2.gz JBGPGOBRKRHSKX-GJZGRUSLSA-N 2 0 362.478 -0.302 20 0 FBADRP Cn1ccnc1CN1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000420057168 484824848 /nfs/dbraw/zinc/82/48/48/484824848.db2.gz JBGPGOBRKRHSKX-HUUCEWRRSA-N 2 0 362.478 -0.302 20 0 FBADRP Cn1ccnc1CN1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000420057170 484825565 /nfs/dbraw/zinc/82/55/65/484825565.db2.gz JBGPGOBRKRHSKX-LSDHHAIUSA-N 2 0 362.478 -0.302 20 0 FBADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)NCC(C)(C)[NH3+])CC1 ZINC000420057615 484825318 /nfs/dbraw/zinc/82/53/18/484825318.db2.gz NGKWLORGQJPXSK-GASCZTMLSA-N 2 0 353.511 -0.143 20 0 FBADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)NCC(C)(C)[NH3+])CC1 ZINC000420057619 484825385 /nfs/dbraw/zinc/82/53/85/484825385.db2.gz NGKWLORGQJPXSK-GJZGRUSLSA-N 2 0 353.511 -0.143 20 0 FBADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)NCC(C)(C)[NH3+])CC1 ZINC000420057622 484825153 /nfs/dbraw/zinc/82/51/53/484825153.db2.gz NGKWLORGQJPXSK-HUUCEWRRSA-N 2 0 353.511 -0.143 20 0 FBADRP CN(C)c1ncccc1O[C@H]1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000420058784 484825889 /nfs/dbraw/zinc/82/58/89/484825889.db2.gz JACXXXPVWLYBHO-KBPBESRZSA-N 2 0 361.446 -0.019 20 0 FBADRP CN(C)c1ncccc1O[C@@H]1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000420058786 484825115 /nfs/dbraw/zinc/82/51/15/484825115.db2.gz JACXXXPVWLYBHO-KGLIPLIRSA-N 2 0 361.446 -0.019 20 0 FBADRP CN(C)c1ncccc1O[C@H]1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000420058788 484825630 /nfs/dbraw/zinc/82/56/30/484825630.db2.gz JACXXXPVWLYBHO-UONOGXRCSA-N 2 0 361.446 -0.019 20 0 FBADRP CN(C)c1ncccc1O[C@@H]1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000420058790 484825460 /nfs/dbraw/zinc/82/54/60/484825460.db2.gz JACXXXPVWLYBHO-ZIAGYGMSSA-N 2 0 361.446 -0.019 20 0 FBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000420058987 484825392 /nfs/dbraw/zinc/82/53/92/484825392.db2.gz JIVSPGGCLKUVKJ-CVEARBPZSA-N 2 0 351.495 -0.532 20 0 FBADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000420058989 484824820 /nfs/dbraw/zinc/82/48/20/484824820.db2.gz JIVSPGGCLKUVKJ-HOTGVXAUSA-N 2 0 351.495 -0.532 20 0 FBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000420058993 484825028 /nfs/dbraw/zinc/82/50/28/484825028.db2.gz JIVSPGGCLKUVKJ-HZPDHXFCSA-N 2 0 351.495 -0.532 20 0 FBADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000420058995 484825843 /nfs/dbraw/zinc/82/58/43/484825843.db2.gz JIVSPGGCLKUVKJ-JKSUJKDBSA-N 2 0 351.495 -0.532 20 0 FBADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000420061254 484827110 /nfs/dbraw/zinc/82/71/10/484827110.db2.gz LETFKIRHNWXUDA-BFYDXBDKSA-N 2 0 365.522 -0.143 20 0 FBADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000420061257 484827061 /nfs/dbraw/zinc/82/70/61/484827061.db2.gz LETFKIRHNWXUDA-HLLBOEOZSA-N 2 0 365.522 -0.143 20 0 FBADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000420061259 484826726 /nfs/dbraw/zinc/82/67/26/484826726.db2.gz LETFKIRHNWXUDA-INMHGKMJSA-N 2 0 365.522 -0.143 20 0 FBADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000420061263 484826945 /nfs/dbraw/zinc/82/69/45/484826945.db2.gz LETFKIRHNWXUDA-UXLLHSPISA-N 2 0 365.522 -0.143 20 0 FBADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000420065752 484826448 /nfs/dbraw/zinc/82/64/48/484826448.db2.gz QCFUFUYELNGGAA-FXAWDEMLSA-N 2 0 374.485 -0.065 20 0 FBADRP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000420065753 484826807 /nfs/dbraw/zinc/82/68/07/484826807.db2.gz QCFUFUYELNGGAA-PXNSSMCTSA-N 2 0 374.485 -0.065 20 0 FBADRP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000420065755 484826999 /nfs/dbraw/zinc/82/69/99/484826999.db2.gz QCFUFUYELNGGAA-XLIONFOSSA-N 2 0 374.485 -0.065 20 0 FBADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000420065756 484826637 /nfs/dbraw/zinc/82/66/37/484826637.db2.gz QCFUFUYELNGGAA-YLJYHZDGSA-N 2 0 374.485 -0.065 20 0 FBADRP CN1CCC(CNC(=O)C(=O)NCC(C)(C)[NH3+])([NH+]2CCCCC2)CC1 ZINC000420065970 484826784 /nfs/dbraw/zinc/82/67/84/484826784.db2.gz YENURGLAMYKSKI-UHFFFAOYSA-N 2 0 353.511 -0.094 20 0 FBADRP CN1CCC(CNC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)([NH+]2CCCCC2)CC1 ZINC000420071054 484828276 /nfs/dbraw/zinc/82/82/76/484828276.db2.gz XIYCUBAECGZWES-INIZCTEOSA-N 2 0 365.522 -0.094 20 0 FBADRP CN1CCC(CNC(=O)C(=O)N[C@H](C[NH3+])C2CC2)([NH+]2CCCCC2)CC1 ZINC000420071055 484828460 /nfs/dbraw/zinc/82/84/60/484828460.db2.gz XIYCUBAECGZWES-MRXNPFEDSA-N 2 0 365.522 -0.094 20 0 FBADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N[C@@H](C[NH3+])C3CC3)CC2)CC1 ZINC000420071897 484828171 /nfs/dbraw/zinc/82/81/71/484828171.db2.gz YHPZWZYSNKJIRN-KRWDZBQOSA-N 2 0 365.522 -0.143 20 0 FBADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N[C@H](C[NH3+])C3CC3)CC2)CC1 ZINC000420071899 484828995 /nfs/dbraw/zinc/82/89/95/484828995.db2.gz YHPZWZYSNKJIRN-QGZVFWFLSA-N 2 0 365.522 -0.143 20 0 FBADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCN(CC(C)(C)O)C[C@H]1C ZINC000420074413 484833031 /nfs/dbraw/zinc/83/30/31/484833031.db2.gz ZLJHMSKEKPAWNR-HZSPNIEDSA-N 2 0 370.494 -0.481 20 0 FBADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCN(CC(C)(C)O)C[C@@H]1C ZINC000420074414 484832494 /nfs/dbraw/zinc/83/24/94/484832494.db2.gz ZLJHMSKEKPAWNR-IHRRRGAJSA-N 2 0 370.494 -0.481 20 0 FBADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCN(CC(C)(C)O)C[C@@H]1C ZINC000420074415 484833187 /nfs/dbraw/zinc/83/31/87/484833187.db2.gz ZLJHMSKEKPAWNR-MELADBBJSA-N 2 0 370.494 -0.481 20 0 FBADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCN(CC(C)(C)O)C[C@H]1C ZINC000420074416 484832439 /nfs/dbraw/zinc/83/24/39/484832439.db2.gz ZLJHMSKEKPAWNR-RDBSUJKOSA-N 2 0 370.494 -0.481 20 0 FBADRP CCC([NH3+])(CC)CNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000420077422 484833155 /nfs/dbraw/zinc/83/31/55/484833155.db2.gz CIKXMSQIYUMYKO-UHFFFAOYSA-N 2 0 367.494 -0.613 20 0 FBADRP CCC([NH3+])(CC)CNC(=O)C(=O)N1CCN(CCC(=O)OC)C[C@H]1C ZINC000420077552 484832873 /nfs/dbraw/zinc/83/28/73/484832873.db2.gz CWOHQAHAMKTGLS-CYBMUJFWSA-N 2 0 356.467 -0.284 20 0 FBADRP CCC([NH3+])(CC)CNC(=O)C(=O)N1CCN(CCC(=O)OC)C[C@@H]1C ZINC000420077555 484832652 /nfs/dbraw/zinc/83/26/52/484832652.db2.gz CWOHQAHAMKTGLS-ZDUSSCGKSA-N 2 0 356.467 -0.284 20 0 FBADRP CCC([NH3+])(CC)CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000420079365 484833855 /nfs/dbraw/zinc/83/38/55/484833855.db2.gz HQSRNDRGJHMPSW-AWEZNQCLSA-N 2 0 367.494 -0.615 20 0 FBADRP CCC([NH3+])(CC)CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000420079367 484833972 /nfs/dbraw/zinc/83/39/72/484833972.db2.gz HQSRNDRGJHMPSW-CQSZACIVSA-N 2 0 367.494 -0.615 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCC([NH3+])(CC)CC)CC1 ZINC000420082049 484833892 /nfs/dbraw/zinc/83/38/92/484833892.db2.gz POKWMQWRMDTLKG-UHFFFAOYSA-N 2 0 369.510 -0.367 20 0 FBADRP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NCC(C)(C)[NH3+] ZINC000420083268 484834548 /nfs/dbraw/zinc/83/45/48/484834548.db2.gz WJTNAQKQNFYRSG-IBGZPJMESA-N 2 0 362.474 -0.065 20 0 FBADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NCC(C)(C)[NH3+] ZINC000420083269 484834212 /nfs/dbraw/zinc/83/42/12/484834212.db2.gz WJTNAQKQNFYRSG-LJQANCHMSA-N 2 0 362.474 -0.065 20 0 FBADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)NCC(C)(C)[NH3+])CC2)CC1 ZINC000420083952 484834514 /nfs/dbraw/zinc/83/45/14/484834514.db2.gz XQLCDVBPRPABSR-UHFFFAOYSA-N 2 0 353.511 -0.143 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)NCC2([NH3+])CCC2)CCN1C1CC[NH+](C)CC1 ZINC000420091113 484834329 /nfs/dbraw/zinc/83/43/29/484834329.db2.gz MEOLCKRPTKGLII-AWEZNQCLSA-N 2 0 351.495 -0.389 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)NCC2([NH3+])CCC2)CCN1C1CC[NH+](C)CC1 ZINC000420091115 484834318 /nfs/dbraw/zinc/83/43/18/484834318.db2.gz MEOLCKRPTKGLII-CQSZACIVSA-N 2 0 351.495 -0.389 20 0 FBADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NCC2([NH3+])CCC2)CC1 ZINC000420091204 484834501 /nfs/dbraw/zinc/83/45/01/484834501.db2.gz MONPJMWGNZPPIR-HNNXBMFYSA-N 2 0 351.495 -0.388 20 0 FBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NCC2([NH3+])CCC2)CC1 ZINC000420091207 484834630 /nfs/dbraw/zinc/83/46/30/484834630.db2.gz MONPJMWGNZPPIR-OAHLLOKOSA-N 2 0 351.495 -0.388 20 0 FBADRP C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000420099555 484835723 /nfs/dbraw/zinc/83/57/23/484835723.db2.gz FHEXJYRVHHSHFV-AWEZNQCLSA-N 2 0 354.495 -0.204 20 0 FBADRP C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000420099556 484835455 /nfs/dbraw/zinc/83/54/55/484835455.db2.gz FHEXJYRVHHSHFV-CQSZACIVSA-N 2 0 354.495 -0.204 20 0 FBADRP Cc1nccc(N2CCN(C(=O)C(=O)NC[C@]3(C)CCC[NH2+]C3)CC2)n1 ZINC000420100895 484835802 /nfs/dbraw/zinc/83/58/02/484835802.db2.gz LBTCOWULRFKXPT-GOSISDBHSA-N 2 0 360.462 -0.060 20 0 FBADRP Cc1nccc(N2CCN(C(=O)C(=O)NC[C@@]3(C)CCC[NH2+]C3)CC2)n1 ZINC000420100896 484835898 /nfs/dbraw/zinc/83/58/98/484835898.db2.gz LBTCOWULRFKXPT-SFHVURJKSA-N 2 0 360.462 -0.060 20 0 FBADRP COCC(COC)N1CCN(C(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)CC1 ZINC000420107163 484835742 /nfs/dbraw/zinc/83/57/42/484835742.db2.gz SUMUNGDYYNUMCK-GOSISDBHSA-N 2 0 370.494 -0.702 20 0 FBADRP COCC(COC)N1CCN(C(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000420107164 484835684 /nfs/dbraw/zinc/83/56/84/484835684.db2.gz SUMUNGDYYNUMCK-SFHVURJKSA-N 2 0 370.494 -0.702 20 0 FBADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000420111188 484837626 /nfs/dbraw/zinc/83/76/26/484837626.db2.gz GCJLXDNSYRQVCG-HRCADAONSA-N 2 0 352.479 -0.329 20 0 FBADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000420111190 484837211 /nfs/dbraw/zinc/83/72/11/484837211.db2.gz GCJLXDNSYRQVCG-JYJNAYRXSA-N 2 0 352.479 -0.329 20 0 FBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000420111192 484836778 /nfs/dbraw/zinc/83/67/78/484836778.db2.gz GCJLXDNSYRQVCG-OWCLPIDISA-N 2 0 352.479 -0.329 20 0 FBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000420111194 484837335 /nfs/dbraw/zinc/83/73/35/484837335.db2.gz GCJLXDNSYRQVCG-PMPSAXMXSA-N 2 0 352.479 -0.329 20 0 FBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000420111269 484837533 /nfs/dbraw/zinc/83/75/33/484837533.db2.gz GLVKWDUGJUUNKQ-BFYDXBDKSA-N 2 0 365.522 -0.273 20 0 FBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000420111270 484837415 /nfs/dbraw/zinc/83/74/15/484837415.db2.gz GLVKWDUGJUUNKQ-HLLBOEOZSA-N 2 0 365.522 -0.273 20 0 FBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000420111271 484836794 /nfs/dbraw/zinc/83/67/94/484836794.db2.gz GLVKWDUGJUUNKQ-INMHGKMJSA-N 2 0 365.522 -0.273 20 0 FBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000420111272 484836604 /nfs/dbraw/zinc/83/66/04/484836604.db2.gz GLVKWDUGJUUNKQ-VYDXJSESSA-N 2 0 365.522 -0.273 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@H]3CC[NH2+][C@@H](C)C3)CC2)c1 ZINC000420113196 484836553 /nfs/dbraw/zinc/83/65/53/484836553.db2.gz DYGHISSATBEVOI-KBPBESRZSA-N 2 0 361.446 -0.005 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@H]3CC[NH2+][C@H](C)C3)CC2)c1 ZINC000420113198 484836972 /nfs/dbraw/zinc/83/69/72/484836972.db2.gz DYGHISSATBEVOI-KGLIPLIRSA-N 2 0 361.446 -0.005 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+][C@@H](C)C3)CC2)c1 ZINC000420113200 484836456 /nfs/dbraw/zinc/83/64/56/484836456.db2.gz DYGHISSATBEVOI-UONOGXRCSA-N 2 0 361.446 -0.005 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+][C@H](C)C3)CC2)c1 ZINC000420113202 484837669 /nfs/dbraw/zinc/83/76/69/484837669.db2.gz DYGHISSATBEVOI-ZIAGYGMSSA-N 2 0 361.446 -0.005 20 0 FBADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000420114287 484837355 /nfs/dbraw/zinc/83/73/55/484837355.db2.gz DIRWEXYWNVIMIC-HNNXBMFYSA-N 2 0 367.494 -0.613 20 0 FBADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000420114288 484837142 /nfs/dbraw/zinc/83/71/42/484837142.db2.gz DIRWEXYWNVIMIC-OAHLLOKOSA-N 2 0 367.494 -0.613 20 0 FBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000420117887 484836990 /nfs/dbraw/zinc/83/69/90/484836990.db2.gz LXYAVQQZRWWFEV-FMKPAKJESA-N 2 0 352.479 -0.188 20 0 FBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000420117890 484836571 /nfs/dbraw/zinc/83/65/71/484836571.db2.gz LXYAVQQZRWWFEV-IIAWOOMASA-N 2 0 352.479 -0.188 20 0 FBADRP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000420117892 484837375 /nfs/dbraw/zinc/83/73/75/484837375.db2.gz LXYAVQQZRWWFEV-LZWOXQAQSA-N 2 0 352.479 -0.188 20 0 FBADRP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000420117893 484837268 /nfs/dbraw/zinc/83/72/68/484837268.db2.gz LXYAVQQZRWWFEV-SQWLQELKSA-N 2 0 352.479 -0.188 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H]3C[NH2+]CC[C@@H]3C)CC2)c1 ZINC000420121252 484835418 /nfs/dbraw/zinc/83/54/18/484835418.db2.gz PCNSYBKLMNWHJV-DZGCQCFKSA-N 2 0 361.446 -0.147 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@H]3C[NH2+]CC[C@H]3C)CC2)c1 ZINC000420121256 484835527 /nfs/dbraw/zinc/83/55/27/484835527.db2.gz PCNSYBKLMNWHJV-HIFRSBDPSA-N 2 0 361.446 -0.147 20 0 FBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000420122187 484844925 /nfs/dbraw/zinc/84/49/25/484844925.db2.gz LEPZFGHXBIWLCY-KBPBESRZSA-N 2 0 361.446 -0.005 20 0 FBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000420122189 484844353 /nfs/dbraw/zinc/84/43/53/484844353.db2.gz LEPZFGHXBIWLCY-KGLIPLIRSA-N 2 0 361.446 -0.005 20 0 FBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000420122191 484844583 /nfs/dbraw/zinc/84/45/83/484844583.db2.gz LEPZFGHXBIWLCY-UONOGXRCSA-N 2 0 361.446 -0.005 20 0 FBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000420122193 484844650 /nfs/dbraw/zinc/84/46/50/484844650.db2.gz LEPZFGHXBIWLCY-ZIAGYGMSSA-N 2 0 361.446 -0.005 20 0 FBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000420124764 484844203 /nfs/dbraw/zinc/84/42/03/484844203.db2.gz SBBQIKPHYSIAMI-GDBMZVCRSA-N 2 0 353.511 -0.415 20 0 FBADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000420124767 484845013 /nfs/dbraw/zinc/84/50/13/484845013.db2.gz SBBQIKPHYSIAMI-GOEBONIOSA-N 2 0 353.511 -0.415 20 0 FBADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000420124770 484844879 /nfs/dbraw/zinc/84/48/79/484844879.db2.gz SBBQIKPHYSIAMI-HOCLYGCPSA-N 2 0 353.511 -0.415 20 0 FBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000420124773 484844430 /nfs/dbraw/zinc/84/44/30/484844430.db2.gz SBBQIKPHYSIAMI-ZBFHGGJFSA-N 2 0 353.511 -0.415 20 0 FBADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000420124803 484845050 /nfs/dbraw/zinc/84/50/50/484845050.db2.gz OXKDUBXOBGMPBB-CABCVRRESA-N 2 0 367.494 -0.615 20 0 FBADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000420124805 484844855 /nfs/dbraw/zinc/84/48/55/484844855.db2.gz OXKDUBXOBGMPBB-GJZGRUSLSA-N 2 0 367.494 -0.615 20 0 FBADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000420124807 484844116 /nfs/dbraw/zinc/84/41/16/484844116.db2.gz OXKDUBXOBGMPBB-HUUCEWRRSA-N 2 0 367.494 -0.615 20 0 FBADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000420124808 484844373 /nfs/dbraw/zinc/84/43/73/484844373.db2.gz OXKDUBXOBGMPBB-LSDHHAIUSA-N 2 0 367.494 -0.615 20 0 FBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000420126227 484846112 /nfs/dbraw/zinc/84/61/12/484846112.db2.gz UBIIKLAWHBNRSE-BRWVUGGUSA-N 2 0 365.522 -0.271 20 0 FBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000420126228 484845604 /nfs/dbraw/zinc/84/56/04/484845604.db2.gz UBIIKLAWHBNRSE-IKGGRYGDSA-N 2 0 365.522 -0.271 20 0 FBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000420126229 484846197 /nfs/dbraw/zinc/84/61/97/484846197.db2.gz UBIIKLAWHBNRSE-IXDOHACOSA-N 2 0 365.522 -0.271 20 0 FBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000420126230 484845840 /nfs/dbraw/zinc/84/58/40/484845840.db2.gz UBIIKLAWHBNRSE-ZACQAIPSSA-N 2 0 365.522 -0.271 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000420131838 484845581 /nfs/dbraw/zinc/84/55/81/484845581.db2.gz SGBARAJOIYNSKZ-CABCVRRESA-N 2 0 367.494 -0.744 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000420131840 484846187 /nfs/dbraw/zinc/84/61/87/484846187.db2.gz SGBARAJOIYNSKZ-GJZGRUSLSA-N 2 0 367.494 -0.744 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000420131842 484846277 /nfs/dbraw/zinc/84/62/77/484846277.db2.gz SGBARAJOIYNSKZ-HUUCEWRRSA-N 2 0 367.494 -0.744 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000420131845 484846054 /nfs/dbraw/zinc/84/60/54/484846054.db2.gz SGBARAJOIYNSKZ-LSDHHAIUSA-N 2 0 367.494 -0.744 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)NCC3=CC[NH2+]CC3)CC2)c1 ZINC000420136301 484847599 /nfs/dbraw/zinc/84/75/99/484847599.db2.gz IYMUQWUUOICYHA-UHFFFAOYSA-N 2 0 359.430 -0.225 20 0 FBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NCC2=CC[NH2+]CC2)CC1 ZINC000420142191 484847342 /nfs/dbraw/zinc/84/73/42/484847342.db2.gz TWJHWRCLHYGELO-UHFFFAOYSA-N 2 0 359.430 -0.225 20 0 FBADRP C[NH2+][C@H](C)CNC(=O)C(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000420145346 484838368 /nfs/dbraw/zinc/83/83/68/484838368.db2.gz ORUOBKXULMZGCZ-BEFAXECRSA-N 2 0 362.474 -0.194 20 0 FBADRP C[NH2+][C@H](C)CNC(=O)C(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000420145347 484839145 /nfs/dbraw/zinc/83/91/45/484839145.db2.gz ORUOBKXULMZGCZ-DNVCBOLYSA-N 2 0 362.474 -0.194 20 0 FBADRP C[NH2+][C@@H](C)CNC(=O)C(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000420145348 484838451 /nfs/dbraw/zinc/83/84/51/484838451.db2.gz ORUOBKXULMZGCZ-HNAYVOBHSA-N 2 0 362.474 -0.194 20 0 FBADRP C[NH2+][C@@H](C)CNC(=O)C(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000420145349 484839003 /nfs/dbraw/zinc/83/90/03/484839003.db2.gz ORUOBKXULMZGCZ-KXBFYZLASA-N 2 0 362.474 -0.194 20 0 FBADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000420145434 484839215 /nfs/dbraw/zinc/83/92/15/484839215.db2.gz ODAPTKLSAOONPK-HNNXBMFYSA-N 2 0 369.510 -0.367 20 0 FBADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000420145435 484839164 /nfs/dbraw/zinc/83/91/64/484839164.db2.gz ODAPTKLSAOONPK-OAHLLOKOSA-N 2 0 369.510 -0.367 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000420150130 484839707 /nfs/dbraw/zinc/83/97/07/484839707.db2.gz WHIWQLZIQGYBTE-CABCVRRESA-N 2 0 367.494 -0.887 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000420150131 484840638 /nfs/dbraw/zinc/84/06/38/484840638.db2.gz WHIWQLZIQGYBTE-GJZGRUSLSA-N 2 0 367.494 -0.887 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000420150132 484839996 /nfs/dbraw/zinc/83/99/96/484839996.db2.gz WHIWQLZIQGYBTE-HUUCEWRRSA-N 2 0 367.494 -0.887 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000420150133 484840608 /nfs/dbraw/zinc/84/06/08/484840608.db2.gz WHIWQLZIQGYBTE-LSDHHAIUSA-N 2 0 367.494 -0.887 20 0 FBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NCC2=CC[NH2+]CC2)C1 ZINC000420151334 484839746 /nfs/dbraw/zinc/83/97/46/484839746.db2.gz MPPFCYFGKMUUMS-INIZCTEOSA-N 2 0 352.479 -0.018 20 0 FBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NCC2=CC[NH2+]CC2)C1 ZINC000420151335 484839899 /nfs/dbraw/zinc/83/98/99/484839899.db2.gz MPPFCYFGKMUUMS-MRXNPFEDSA-N 2 0 352.479 -0.018 20 0 FBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000420153297 484839726 /nfs/dbraw/zinc/83/97/26/484839726.db2.gz GFWLKMPNCWYPCP-CQSZACIVSA-N 2 0 355.483 -0.887 20 0 FBADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000420163055 484842948 /nfs/dbraw/zinc/84/29/48/484842948.db2.gz KZSIBVMWSYMVQA-HRCADAONSA-N 2 0 352.479 -0.186 20 0 FBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000420163056 484843532 /nfs/dbraw/zinc/84/35/32/484843532.db2.gz KZSIBVMWSYMVQA-JYJNAYRXSA-N 2 0 352.479 -0.186 20 0 FBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000420165357 484843499 /nfs/dbraw/zinc/84/34/99/484843499.db2.gz GXJISAFPFSKFPJ-VPSFDDGASA-N 2 0 365.522 -0.130 20 0 FBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000420167608 484842884 /nfs/dbraw/zinc/84/28/84/484842884.db2.gz PNKDLAONERRXBE-INIZCTEOSA-N 2 0 367.538 -0.023 20 0 FBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000420167610 484843104 /nfs/dbraw/zinc/84/31/04/484843104.db2.gz PNKDLAONERRXBE-MRXNPFEDSA-N 2 0 367.538 -0.023 20 0 FBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000420167817 484843333 /nfs/dbraw/zinc/84/33/33/484843333.db2.gz JPSPRZFUBNQEBM-CABCVRRESA-N 2 0 353.511 -0.273 20 0 FBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000420167818 484842926 /nfs/dbraw/zinc/84/29/26/484842926.db2.gz JPSPRZFUBNQEBM-HUUCEWRRSA-N 2 0 353.511 -0.273 20 0 FBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000420169383 484844967 /nfs/dbraw/zinc/84/49/67/484844967.db2.gz VUCKMSFQIRRZIN-INIZCTEOSA-N 2 0 352.479 -0.018 20 0 FBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000420169384 484845120 /nfs/dbraw/zinc/84/51/20/484845120.db2.gz VUCKMSFQIRRZIN-MRXNPFEDSA-N 2 0 352.479 -0.018 20 0 FBADRP C[N@H+](CCO)C1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000420174015 484849430 /nfs/dbraw/zinc/84/94/30/484849430.db2.gz YCHVSLPNGNZERK-HNNXBMFYSA-N 2 0 354.495 -0.204 20 0 FBADRP C[N@H+](CCO)C1CCN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000420174017 484849002 /nfs/dbraw/zinc/84/90/02/484849002.db2.gz YCHVSLPNGNZERK-OAHLLOKOSA-N 2 0 354.495 -0.204 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[NH2+][C@H]2C)CCN1C1CC[NH+](C)CC1 ZINC000420174338 484849316 /nfs/dbraw/zinc/84/93/16/484849316.db2.gz WRVSDEMYSSXOLL-HLLBOEOZSA-N 2 0 365.522 -0.130 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[NH2+][C@H]2C)CCN1C1CC[NH+](C)CC1 ZINC000420174340 484849238 /nfs/dbraw/zinc/84/92/38/484849238.db2.gz WRVSDEMYSSXOLL-VYDXJSESSA-N 2 0 365.522 -0.130 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCC[NH2+][C@H]2C)CCN1C1CC[NH+](C)CC1 ZINC000420174341 484848585 /nfs/dbraw/zinc/84/85/85/484848585.db2.gz WRVSDEMYSSXOLL-YQQAZPJKSA-N 2 0 365.522 -0.130 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)N[C@H]2CCC[NH2+][C@H]2C)CCN1C1CC[NH+](C)CC1 ZINC000420174342 484848952 /nfs/dbraw/zinc/84/89/52/484848952.db2.gz WRVSDEMYSSXOLL-ZOBUZTSGSA-N 2 0 365.522 -0.130 20 0 FBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000420177716 484848888 /nfs/dbraw/zinc/84/88/88/484848888.db2.gz ZCLWHQPELDOCGR-CVEARBPZSA-N 2 0 353.511 -0.271 20 0 FBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000420177717 484849202 /nfs/dbraw/zinc/84/92/02/484849202.db2.gz ZCLWHQPELDOCGR-HZPDHXFCSA-N 2 0 353.511 -0.271 20 0 FBADRP COCC[NH2+]CCNC(=O)C(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000420177820 484848825 /nfs/dbraw/zinc/84/88/25/484848825.db2.gz CYUHXHHBVCJHQX-UHFFFAOYSA-N 2 0 365.434 -0.909 20 0 FBADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000420178851 484849049 /nfs/dbraw/zinc/84/90/49/484849049.db2.gz BALJXQGKMCEWSP-HNNXBMFYSA-N 2 0 352.435 -0.336 20 0 FBADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000420178852 484849442 /nfs/dbraw/zinc/84/94/42/484849442.db2.gz BALJXQGKMCEWSP-OAHLLOKOSA-N 2 0 352.435 -0.336 20 0 FBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000420179006 484849485 /nfs/dbraw/zinc/84/94/85/484849485.db2.gz AJDITIXQRYLNOQ-CABCVRRESA-N 2 0 356.467 -0.950 20 0 FBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000420179008 484848963 /nfs/dbraw/zinc/84/89/63/484848963.db2.gz AJDITIXQRYLNOQ-GJZGRUSLSA-N 2 0 356.467 -0.950 20 0 FBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000420179010 484849015 /nfs/dbraw/zinc/84/90/15/484849015.db2.gz AJDITIXQRYLNOQ-HUUCEWRRSA-N 2 0 356.467 -0.950 20 0 FBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000420179012 484849380 /nfs/dbraw/zinc/84/93/80/484849380.db2.gz AJDITIXQRYLNOQ-LSDHHAIUSA-N 2 0 356.467 -0.950 20 0 FBADRP COCC[NH2+]CCNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000420186786 484852063 /nfs/dbraw/zinc/85/20/63/484852063.db2.gz QNSDBNPPHLCLRM-GDBMZVCRSA-N 2 0 352.479 -0.186 20 0 FBADRP COCC[NH2+]CCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000420186788 484852220 /nfs/dbraw/zinc/85/22/20/484852220.db2.gz QNSDBNPPHLCLRM-GOEBONIOSA-N 2 0 352.479 -0.186 20 0 FBADRP COCC[NH2+]CCNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000420186789 484852295 /nfs/dbraw/zinc/85/22/95/484852295.db2.gz QNSDBNPPHLCLRM-HOCLYGCPSA-N 2 0 352.479 -0.186 20 0 FBADRP COCC[NH2+]CCNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000420186791 484851590 /nfs/dbraw/zinc/85/15/90/484851590.db2.gz QNSDBNPPHLCLRM-ZBFHGGJFSA-N 2 0 352.479 -0.186 20 0 FBADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)c1 ZINC000420186801 484851513 /nfs/dbraw/zinc/85/15/13/484851513.db2.gz BEZNXZOLKVIPTL-KRWDZBQOSA-N 2 0 362.474 -0.010 20 0 FBADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)c1 ZINC000420186803 484852360 /nfs/dbraw/zinc/85/23/60/484852360.db2.gz BEZNXZOLKVIPTL-QGZVFWFLSA-N 2 0 362.474 -0.010 20 0 FBADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000420187717 484851565 /nfs/dbraw/zinc/85/15/65/484851565.db2.gz BQVFZYJKMBHZMF-INIZCTEOSA-N 2 0 366.437 -0.180 20 0 FBADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000420187718 484851624 /nfs/dbraw/zinc/85/16/24/484851624.db2.gz BQVFZYJKMBHZMF-MRXNPFEDSA-N 2 0 366.437 -0.180 20 0 FBADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)o1 ZINC000420188081 484852902 /nfs/dbraw/zinc/85/29/02/484852902.db2.gz MTVNRAOZDIIAOK-INIZCTEOSA-N 2 0 366.462 -0.027 20 0 FBADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)o1 ZINC000420188084 484852207 /nfs/dbraw/zinc/85/22/07/484852207.db2.gz MTVNRAOZDIIAOK-MRXNPFEDSA-N 2 0 366.462 -0.027 20 0 FBADRP COCC[NH2+]CCNC(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000420188842 484851662 /nfs/dbraw/zinc/85/16/62/484851662.db2.gz SXGFEFRMKFCTJK-HDICACEKSA-N 2 0 374.485 -0.071 20 0 FBADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000420189876 484852428 /nfs/dbraw/zinc/85/24/28/484852428.db2.gz FGTRVKSAWPIOGT-CYBMUJFWSA-N 2 0 354.476 -0.257 20 0 FBADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000420189877 484851777 /nfs/dbraw/zinc/85/17/77/484851777.db2.gz FGTRVKSAWPIOGT-ZDUSSCGKSA-N 2 0 354.476 -0.257 20 0 FBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000420191367 484854287 /nfs/dbraw/zinc/85/42/87/484854287.db2.gz QFNASBDVCUAPLQ-CVEARBPZSA-N 2 0 352.479 -0.042 20 0 FBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000420191368 484854131 /nfs/dbraw/zinc/85/41/31/484854131.db2.gz QFNASBDVCUAPLQ-HOTGVXAUSA-N 2 0 352.479 -0.042 20 0 FBADRP O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000420191369 484854016 /nfs/dbraw/zinc/85/40/16/484854016.db2.gz QFNASBDVCUAPLQ-HZPDHXFCSA-N 2 0 352.479 -0.042 20 0 FBADRP O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000420191370 484854169 /nfs/dbraw/zinc/85/41/69/484854169.db2.gz QFNASBDVCUAPLQ-JKSUJKDBSA-N 2 0 352.479 -0.042 20 0 FBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000420191979 484853500 /nfs/dbraw/zinc/85/35/00/484853500.db2.gz QMVNUOMVIJRRKN-CVEARBPZSA-N 2 0 352.479 -0.042 20 0 FBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000420191982 484854025 /nfs/dbraw/zinc/85/40/25/484854025.db2.gz QMVNUOMVIJRRKN-HOTGVXAUSA-N 2 0 352.479 -0.042 20 0 FBADRP O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000420191985 484854140 /nfs/dbraw/zinc/85/41/40/484854140.db2.gz QMVNUOMVIJRRKN-HZPDHXFCSA-N 2 0 352.479 -0.042 20 0 FBADRP O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000420191988 484853624 /nfs/dbraw/zinc/85/36/24/484853624.db2.gz QMVNUOMVIJRRKN-JKSUJKDBSA-N 2 0 352.479 -0.042 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@H]3CC[C@H](C[NH3+])C3)CC2)c1 ZINC000420192596 484854160 /nfs/dbraw/zinc/85/41/60/484854160.db2.gz ICFJHAIGKXVTIJ-KBPBESRZSA-N 2 0 361.446 -0.018 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@H]3CC[C@@H](C[NH3+])C3)CC2)c1 ZINC000420192599 484853658 /nfs/dbraw/zinc/85/36/58/484853658.db2.gz ICFJHAIGKXVTIJ-KGLIPLIRSA-N 2 0 361.446 -0.018 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H]3CC[C@H](C[NH3+])C3)CC2)c1 ZINC000420192601 484854337 /nfs/dbraw/zinc/85/43/37/484854337.db2.gz ICFJHAIGKXVTIJ-UONOGXRCSA-N 2 0 361.446 -0.018 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H]3CC[C@@H](C[NH3+])C3)CC2)c1 ZINC000420192603 484853991 /nfs/dbraw/zinc/85/39/91/484853991.db2.gz ICFJHAIGKXVTIJ-ZIAGYGMSSA-N 2 0 361.446 -0.018 20 0 FBADRP COCC[NH2+]CCNC(=O)C(=O)N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000420193179 484853435 /nfs/dbraw/zinc/85/34/35/484853435.db2.gz ZEXXFOLLZKORQW-UHFFFAOYSA-N 2 0 365.434 -0.909 20 0 FBADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000420193806 484854084 /nfs/dbraw/zinc/85/40/84/484854084.db2.gz JINHHXVUAOSLSG-AWEZNQCLSA-N 2 0 354.476 -0.257 20 0 FBADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000420193807 484854118 /nfs/dbraw/zinc/85/41/18/484854118.db2.gz JINHHXVUAOSLSG-CQSZACIVSA-N 2 0 354.476 -0.257 20 0 FBADRP O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000420194245 484854254 /nfs/dbraw/zinc/85/42/54/484854254.db2.gz JLICQFHCJUIULN-FGTMMUONSA-N 2 0 372.469 -0.319 20 0 FBADRP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000420194246 484853724 /nfs/dbraw/zinc/85/37/24/484853724.db2.gz JLICQFHCJUIULN-KSZLIROESA-N 2 0 372.469 -0.319 20 0 FBADRP CC1CCC([NH+]2CCN(C(=O)C(=O)NC[C@@H]3C[NH2+]CCO3)CC2)CC1 ZINC000420194686 484853963 /nfs/dbraw/zinc/85/39/63/484853963.db2.gz FTVCMPLQYUQIJY-GPANFISMSA-N 2 0 352.479 -0.186 20 0 FBADRP CC1CCC([NH+]2CCN(C(=O)C(=O)NC[C@H]3C[NH2+]CCO3)CC2)CC1 ZINC000420194688 484853888 /nfs/dbraw/zinc/85/38/88/484853888.db2.gz FTVCMPLQYUQIJY-UYSNPLJNSA-N 2 0 352.479 -0.186 20 0 FBADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000420198837 484854992 /nfs/dbraw/zinc/85/49/92/484854992.db2.gz LQWDUMJBTTXCHK-INIZCTEOSA-N 2 0 366.437 -0.180 20 0 FBADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000420198843 484855116 /nfs/dbraw/zinc/85/51/16/484855116.db2.gz LQWDUMJBTTXCHK-MRXNPFEDSA-N 2 0 366.437 -0.180 20 0 FBADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)o1 ZINC000420199775 484855200 /nfs/dbraw/zinc/85/52/00/484855200.db2.gz MFEGLYPSTQFRTH-HNNXBMFYSA-N 2 0 352.435 -0.417 20 0 FBADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)o1 ZINC000420199780 484855477 /nfs/dbraw/zinc/85/54/77/484855477.db2.gz MFEGLYPSTQFRTH-OAHLLOKOSA-N 2 0 352.435 -0.417 20 0 FBADRP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000420200664 484855227 /nfs/dbraw/zinc/85/52/27/484855227.db2.gz OBNOSHCYBKQFGX-KRWDZBQOSA-N 2 0 360.458 -0.175 20 0 FBADRP O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000420200665 484855011 /nfs/dbraw/zinc/85/50/11/484855011.db2.gz OBNOSHCYBKQFGX-QGZVFWFLSA-N 2 0 360.458 -0.175 20 0 FBADRP CN(C(=O)C(=O)NC[C@H]1C[NH2+]CCO1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000420204039 484855975 /nfs/dbraw/zinc/85/59/75/484855975.db2.gz QQWOBHBCIJNMPC-DLBZAZTESA-N 2 0 360.458 -0.176 20 0 FBADRP CN(C(=O)C(=O)NC[C@H]1C[NH2+]CCO1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000420204042 484855636 /nfs/dbraw/zinc/85/56/36/484855636.db2.gz QQWOBHBCIJNMPC-IAGOWNOFSA-N 2 0 360.458 -0.176 20 0 FBADRP CN(C(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000420204043 484855720 /nfs/dbraw/zinc/85/57/20/484855720.db2.gz QQWOBHBCIJNMPC-IRXDYDNUSA-N 2 0 360.458 -0.176 20 0 FBADRP CN(C(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000420204046 484854952 /nfs/dbraw/zinc/85/49/52/484854952.db2.gz QQWOBHBCIJNMPC-SJORKVTESA-N 2 0 360.458 -0.176 20 0 FBADRP [NH3+]C1(CNC(=O)C(=O)N2CCNC(=O)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000420205012 484857267 /nfs/dbraw/zinc/85/72/67/484857267.db2.gz MNMMWCYTQWTRBU-UHFFFAOYSA-N 2 0 373.457 -0.946 20 0 FBADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)c1cccc(F)c1 ZINC000420205177 484857930 /nfs/dbraw/zinc/85/79/30/484857930.db2.gz RROSVMUDHSFYSR-CABCVRRESA-N 2 0 352.410 -0.351 20 0 FBADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)c1cccc(F)c1 ZINC000420205178 484856977 /nfs/dbraw/zinc/85/69/77/484856977.db2.gz RROSVMUDHSFYSR-GJZGRUSLSA-N 2 0 352.410 -0.351 20 0 FBADRP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)c1cccc(F)c1 ZINC000420205179 484857367 /nfs/dbraw/zinc/85/73/67/484857367.db2.gz RROSVMUDHSFYSR-HUUCEWRRSA-N 2 0 352.410 -0.351 20 0 FBADRP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)c1cccc(F)c1 ZINC000420205180 484857888 /nfs/dbraw/zinc/85/78/88/484857888.db2.gz RROSVMUDHSFYSR-LSDHHAIUSA-N 2 0 352.410 -0.351 20 0 FBADRP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000420206611 484857480 /nfs/dbraw/zinc/85/74/80/484857480.db2.gz SQWAXOYIZNJQQC-INIZCTEOSA-N 2 0 352.479 -0.185 20 0 FBADRP O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000420206612 484856715 /nfs/dbraw/zinc/85/67/15/484856715.db2.gz SQWAXOYIZNJQQC-MRXNPFEDSA-N 2 0 352.479 -0.185 20 0 FBADRP [NH3+]C1(CNC(=O)C(=O)N2CCOCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000420208837 484856636 /nfs/dbraw/zinc/85/66/36/484856636.db2.gz SHQSWDIECWZFIK-UHFFFAOYSA-N 2 0 360.458 -0.045 20 0 FBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000420209219 484856997 /nfs/dbraw/zinc/85/69/97/484856997.db2.gz RKUPALGRZFSKLC-KBPBESRZSA-N 2 0 361.446 -0.018 20 0 FBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000420209222 484857539 /nfs/dbraw/zinc/85/75/39/484857539.db2.gz RKUPALGRZFSKLC-KGLIPLIRSA-N 2 0 361.446 -0.018 20 0 FBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000420209225 484857921 /nfs/dbraw/zinc/85/79/21/484857921.db2.gz RKUPALGRZFSKLC-UONOGXRCSA-N 2 0 361.446 -0.018 20 0 FBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000420209227 484856903 /nfs/dbraw/zinc/85/69/03/484856903.db2.gz RKUPALGRZFSKLC-ZIAGYGMSSA-N 2 0 361.446 -0.018 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000420210665 484858468 /nfs/dbraw/zinc/85/84/68/484858468.db2.gz SIZTYWAPPOEDMC-CABCVRRESA-N 2 0 367.494 -0.757 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000420210667 484858578 /nfs/dbraw/zinc/85/85/78/484858578.db2.gz SIZTYWAPPOEDMC-GJZGRUSLSA-N 2 0 367.494 -0.757 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000420210668 484859321 /nfs/dbraw/zinc/85/93/21/484859321.db2.gz SIZTYWAPPOEDMC-HUUCEWRRSA-N 2 0 367.494 -0.757 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000420210669 484858708 /nfs/dbraw/zinc/85/87/08/484858708.db2.gz SIZTYWAPPOEDMC-LSDHHAIUSA-N 2 0 367.494 -0.757 20 0 FBADRP CC[NH+](CC)CCOCCNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000420211388 484859260 /nfs/dbraw/zinc/85/92/60/484859260.db2.gz OFCVSFHQJSYWNF-ARFHVFGLSA-N 2 0 354.495 -0.035 20 0 FBADRP CC[NH+](CC)CCOCCNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000420211389 484859238 /nfs/dbraw/zinc/85/92/38/484859238.db2.gz OFCVSFHQJSYWNF-BZUAXINKSA-N 2 0 354.495 -0.035 20 0 FBADRP CC[NH+](CC)CCOCCNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000420211391 484858849 /nfs/dbraw/zinc/85/88/49/484858849.db2.gz OFCVSFHQJSYWNF-HRCADAONSA-N 2 0 354.495 -0.035 20 0 FBADRP CC[NH+](CC)CCOCCNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000420211393 484859271 /nfs/dbraw/zinc/85/92/71/484859271.db2.gz OFCVSFHQJSYWNF-OWCLPIDISA-N 2 0 354.495 -0.035 20 0 FBADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000420213646 484859220 /nfs/dbraw/zinc/85/92/20/484859220.db2.gz YWPWVDSEHXEOSB-HNNXBMFYSA-N 2 0 366.437 -0.180 20 0 FBADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000420213649 484858639 /nfs/dbraw/zinc/85/86/39/484858639.db2.gz YWPWVDSEHXEOSB-OAHLLOKOSA-N 2 0 366.437 -0.180 20 0 FBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000420214713 484859818 /nfs/dbraw/zinc/85/98/18/484859818.db2.gz ZTUCGJLKNQJAHL-CABCVRRESA-N 2 0 356.467 -0.950 20 0 FBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000420214715 484860330 /nfs/dbraw/zinc/86/03/30/484860330.db2.gz ZTUCGJLKNQJAHL-GJZGRUSLSA-N 2 0 356.467 -0.950 20 0 FBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000420214716 484860313 /nfs/dbraw/zinc/86/03/13/484860313.db2.gz ZTUCGJLKNQJAHL-HUUCEWRRSA-N 2 0 356.467 -0.950 20 0 FBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000420214717 484860032 /nfs/dbraw/zinc/86/00/32/484860032.db2.gz ZTUCGJLKNQJAHL-LSDHHAIUSA-N 2 0 356.467 -0.950 20 0 FBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000420214818 484860306 /nfs/dbraw/zinc/86/03/06/484860306.db2.gz KPAHMFRVSLPLDG-CVEARBPZSA-N 2 0 370.494 -0.560 20 0 FBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000420214819 484860479 /nfs/dbraw/zinc/86/04/79/484860479.db2.gz KPAHMFRVSLPLDG-HOTGVXAUSA-N 2 0 370.494 -0.560 20 0 FBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000420214820 484860566 /nfs/dbraw/zinc/86/05/66/484860566.db2.gz KPAHMFRVSLPLDG-HZPDHXFCSA-N 2 0 370.494 -0.560 20 0 FBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000420214821 484860531 /nfs/dbraw/zinc/86/05/31/484860531.db2.gz KPAHMFRVSLPLDG-JKSUJKDBSA-N 2 0 370.494 -0.560 20 0 FBADRP CN(CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)CC(=O)N1CC[NH2+]CC1 ZINC000420280180 484862400 /nfs/dbraw/zinc/86/24/00/484862400.db2.gz YIZORJYDLNTZOJ-KRWDZBQOSA-N 2 0 361.490 -0.231 20 0 FBADRP CN(CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)CC(=O)N1CC[NH2+]CC1 ZINC000420280181 484863590 /nfs/dbraw/zinc/86/35/90/484863590.db2.gz YIZORJYDLNTZOJ-QGZVFWFLSA-N 2 0 361.490 -0.231 20 0 FBADRP COC(=O)CN(C)C(=O)CC[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000420283415 484862794 /nfs/dbraw/zinc/86/27/94/484862794.db2.gz CEPGLFYTFKSDRS-AWEZNQCLSA-N 2 0 354.451 -0.848 20 0 FBADRP COC(=O)CN(C)C(=O)CC[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000420283416 484862597 /nfs/dbraw/zinc/86/25/97/484862597.db2.gz CEPGLFYTFKSDRS-CQSZACIVSA-N 2 0 354.451 -0.848 20 0 FBADRP CN1CCN(C(=O)CC[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000420284876 484863103 /nfs/dbraw/zinc/86/31/03/484863103.db2.gz CXRJJGHGQISWDC-INIZCTEOSA-N 2 0 351.495 -0.706 20 0 FBADRP CN1CCN(C(=O)CC[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000420284877 484863284 /nfs/dbraw/zinc/86/32/84/484863284.db2.gz CXRJJGHGQISWDC-MRXNPFEDSA-N 2 0 351.495 -0.706 20 0 FBADRP C[NH2+]CCC1CCN([C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000420316155 484863142 /nfs/dbraw/zinc/86/31/42/484863142.db2.gz XYTFMGCOSQWIGN-LLVKDONJSA-N 2 0 351.451 -0.441 20 0 FBADRP C[NH2+]CCC1CCN([C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000420316156 484862380 /nfs/dbraw/zinc/86/23/80/484862380.db2.gz XYTFMGCOSQWIGN-NSHDSACASA-N 2 0 351.451 -0.441 20 0 FBADRP Cn1c2ncn(CC[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)c2c(=O)n(C)c1=O ZINC000420326661 484864689 /nfs/dbraw/zinc/86/46/89/484864689.db2.gz KDZIVZFLSPACHX-KBPBESRZSA-N 2 0 360.462 -0.245 20 0 FBADRP Cn1c2ncn(CC[N@@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)c2c(=O)n(C)c1=O ZINC000420326662 484864209 /nfs/dbraw/zinc/86/42/09/484864209.db2.gz KDZIVZFLSPACHX-KGLIPLIRSA-N 2 0 360.462 -0.245 20 0 FBADRP Cn1c2ncn(CC[N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)c2c(=O)n(C)c1=O ZINC000420326663 484864813 /nfs/dbraw/zinc/86/48/13/484864813.db2.gz KDZIVZFLSPACHX-UONOGXRCSA-N 2 0 360.462 -0.245 20 0 FBADRP Cn1c2ncn(CC[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)c2c(=O)n(C)c1=O ZINC000420326664 484864086 /nfs/dbraw/zinc/86/40/86/484864086.db2.gz KDZIVZFLSPACHX-ZIAGYGMSSA-N 2 0 360.462 -0.245 20 0 FBADRP C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420328000 484864793 /nfs/dbraw/zinc/86/47/93/484864793.db2.gz MCFYCSBJMBTAAA-AGIUHOORSA-N 2 0 363.462 -0.441 20 0 FBADRP C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420328001 484864428 /nfs/dbraw/zinc/86/44/28/484864428.db2.gz MCFYCSBJMBTAAA-FRRDWIJNSA-N 2 0 363.462 -0.441 20 0 FBADRP C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420328002 484864373 /nfs/dbraw/zinc/86/43/73/484864373.db2.gz MCFYCSBJMBTAAA-JHJVBQTASA-N 2 0 363.462 -0.441 20 0 FBADRP C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420328003 484864725 /nfs/dbraw/zinc/86/47/25/484864725.db2.gz MCFYCSBJMBTAAA-UPJWGTAASA-N 2 0 363.462 -0.441 20 0 FBADRP CN(CCCNC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)S(C)(=O)=O ZINC000420333956 484863079 /nfs/dbraw/zinc/86/30/79/484863079.db2.gz TZUDEYXQVUMQRB-CABCVRRESA-N 2 0 360.524 -0.294 20 0 FBADRP CN(CCCNC(=O)C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)S(C)(=O)=O ZINC000420333957 484862907 /nfs/dbraw/zinc/86/29/07/484862907.db2.gz TZUDEYXQVUMQRB-GJZGRUSLSA-N 2 0 360.524 -0.294 20 0 FBADRP CN(CCCNC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)S(C)(=O)=O ZINC000420333958 484863618 /nfs/dbraw/zinc/86/36/18/484863618.db2.gz TZUDEYXQVUMQRB-HUUCEWRRSA-N 2 0 360.524 -0.294 20 0 FBADRP CN(CCCNC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)S(C)(=O)=O ZINC000420333959 484862420 /nfs/dbraw/zinc/86/24/20/484862420.db2.gz TZUDEYXQVUMQRB-LSDHHAIUSA-N 2 0 360.524 -0.294 20 0 FBADRP COc1ccc(C[N@@H+]2CCCN(C(=O)CN(C)C[C@@H](O)C[NH3+])CC2)cc1 ZINC000420349272 484864662 /nfs/dbraw/zinc/86/46/62/484864662.db2.gz CJCRWFGESORJAA-KRWDZBQOSA-N 2 0 364.490 -0.019 20 0 FBADRP COc1ccc(C[N@@H+]2CCCN(C(=O)CN(C)C[C@H](O)C[NH3+])CC2)cc1 ZINC000420349274 484864106 /nfs/dbraw/zinc/86/41/06/484864106.db2.gz CJCRWFGESORJAA-QGZVFWFLSA-N 2 0 364.490 -0.019 20 0 FBADRP CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420350951 484864254 /nfs/dbraw/zinc/86/42/54/484864254.db2.gz VIUQRXOKXHZKIO-CVEARBPZSA-N 2 0 352.479 -0.090 20 0 FBADRP CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420350952 484864867 /nfs/dbraw/zinc/86/48/67/484864867.db2.gz VIUQRXOKXHZKIO-HOTGVXAUSA-N 2 0 352.479 -0.090 20 0 FBADRP CCOC(=O)[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420350953 484864041 /nfs/dbraw/zinc/86/40/41/484864041.db2.gz VIUQRXOKXHZKIO-HZPDHXFCSA-N 2 0 352.479 -0.090 20 0 FBADRP CCOC(=O)[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420350954 484864565 /nfs/dbraw/zinc/86/45/65/484864565.db2.gz VIUQRXOKXHZKIO-JKSUJKDBSA-N 2 0 352.479 -0.090 20 0 FBADRP Cn1nnnc1-c1cccc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])c1 ZINC000420454534 484866654 /nfs/dbraw/zinc/86/66/54/484866654.db2.gz LMOZXSDYTSCBQM-UHFFFAOYSA-N 2 0 353.452 -0.435 20 0 FBADRP CN1C(=O)c2ccc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])cc2C1=O ZINC000420456064 484866188 /nfs/dbraw/zinc/86/61/88/484866188.db2.gz NAPXLKLZZDBORC-UHFFFAOYSA-N 2 0 354.432 -0.399 20 0 FBADRP Cn1c2ccc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])cc2n(C)c1=O ZINC000420464730 484867923 /nfs/dbraw/zinc/86/79/23/484867923.db2.gz XWJIDMKIFXUQOF-UHFFFAOYSA-N 2 0 355.464 -0.435 20 0 FBADRP NS(=O)(=O)N1CCN(Cc2cccc(CN3CCOCC3)c2)CC1 ZINC000420917463 484882272 /nfs/dbraw/zinc/88/22/72/484882272.db2.gz RSTCINCFWFYYEJ-UHFFFAOYSA-N 2 0 354.476 -0.160 20 0 FBADRP O=C1NC[C@H]2CN(Cc3cccc(CN4CCOCC4)c3)CCN2C1=O ZINC000420944327 484881139 /nfs/dbraw/zinc/88/11/39/484881139.db2.gz YAMZOFYUADZZJF-KRWDZBQOSA-N 2 0 358.442 -0.339 20 0 FBADRP O=C1NC[C@@H]2CN(Cc3cccc(CN4CCOCC4)c3)CCN2C1=O ZINC000420944328 484881767 /nfs/dbraw/zinc/88/17/67/484881767.db2.gz YAMZOFYUADZZJF-QGZVFWFLSA-N 2 0 358.442 -0.339 20 0 FBADRP CC1(C)CN(CCOCCN2C[C@@H](CO)OC(C)(C)C2)C[C@H](CO)O1 ZINC000420944835 484882302 /nfs/dbraw/zinc/88/23/02/484882302.db2.gz SKDNNSHMXRJWCY-IYBDPMFKSA-N 2 0 360.495 -0.054 20 0 FBADRP C[C@@H]1CC[C@H](O)C[N@@H+]1CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000420997717 484884197 /nfs/dbraw/zinc/88/41/97/484884197.db2.gz BDZVWNQBLJPTEU-KGLIPLIRSA-N 2 0 373.461 -0.143 20 0 FBADRP C[C@@H]1CC[C@@H](O)C[N@@H+]1CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000420997721 484884014 /nfs/dbraw/zinc/88/40/14/484884014.db2.gz BDZVWNQBLJPTEU-ZIAGYGMSSA-N 2 0 373.461 -0.143 20 0 FBADRP CC(C)[C@@H](CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C)N1CC[NH+](C)CC1 ZINC000421247888 484886099 /nfs/dbraw/zinc/88/60/99/484886099.db2.gz KBQBKCCAUZMUQX-DLBZAZTESA-N 2 0 367.538 -0.073 20 0 FBADRP CC(C)[C@@H](CNC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C)N1CC[NH+](C)CC1 ZINC000421247889 484885880 /nfs/dbraw/zinc/88/58/80/484885880.db2.gz KBQBKCCAUZMUQX-IAGOWNOFSA-N 2 0 367.538 -0.073 20 0 FBADRP CC(C)[C@H](CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C)N1CC[NH+](C)CC1 ZINC000421247890 484885771 /nfs/dbraw/zinc/88/57/71/484885771.db2.gz KBQBKCCAUZMUQX-IRXDYDNUSA-N 2 0 367.538 -0.073 20 0 FBADRP CC(C)[C@H](CNC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C)N1CC[NH+](C)CC1 ZINC000421247891 484885960 /nfs/dbraw/zinc/88/59/60/484885960.db2.gz KBQBKCCAUZMUQX-SJORKVTESA-N 2 0 367.538 -0.073 20 0 FBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)CC1 ZINC000422084319 484983897 /nfs/dbraw/zinc/98/38/97/484983897.db2.gz KOMTWEKZBUHFOE-DLBZAZTESA-N 2 0 367.538 -0.071 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)CC1 ZINC000422084320 484984404 /nfs/dbraw/zinc/98/44/04/484984404.db2.gz KOMTWEKZBUHFOE-IAGOWNOFSA-N 2 0 367.538 -0.071 20 0 FBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)CC1 ZINC000422084321 484984656 /nfs/dbraw/zinc/98/46/56/484984656.db2.gz KOMTWEKZBUHFOE-IRXDYDNUSA-N 2 0 367.538 -0.071 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)CC1 ZINC000422084522 484984572 /nfs/dbraw/zinc/98/45/72/484984572.db2.gz KOMTWEKZBUHFOE-SJORKVTESA-N 2 0 367.538 -0.071 20 0 FBADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCC[C@H]1CN1CCOCC1 ZINC000422111075 484996163 /nfs/dbraw/zinc/99/61/63/484996163.db2.gz CWDCQRKTGZOHJC-CVEARBPZSA-N 2 0 352.479 -0.138 20 0 FBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCC[C@H]1CN1CCOCC1 ZINC000422111076 484995669 /nfs/dbraw/zinc/99/56/69/484995669.db2.gz CWDCQRKTGZOHJC-HOTGVXAUSA-N 2 0 352.479 -0.138 20 0 FBADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N(C)C[C@@H]1CCC[NH+]1C ZINC000422113852 484997001 /nfs/dbraw/zinc/99/70/01/484997001.db2.gz LAXUGEPIBPDFON-INIZCTEOSA-N 2 0 355.527 -0.119 20 0 FBADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N(C)C[C@H]1CCC[NH+]1C ZINC000422113853 484997042 /nfs/dbraw/zinc/99/70/42/484997042.db2.gz LAXUGEPIBPDFON-MRXNPFEDSA-N 2 0 355.527 -0.119 20 0 FBADRP COC(=O)CCN1CCN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC000422123628 484992895 /nfs/dbraw/zinc/99/28/95/484992895.db2.gz YJBSMCGPCMRNST-CABCVRRESA-N 2 0 368.478 -0.365 20 0 FBADRP COC(=O)CCN1CCN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)[C@@H](C)C1 ZINC000422123629 484992318 /nfs/dbraw/zinc/99/23/18/484992318.db2.gz YJBSMCGPCMRNST-GJZGRUSLSA-N 2 0 368.478 -0.365 20 0 FBADRP COC(=O)CCN1CCN(C(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC000422123630 484993222 /nfs/dbraw/zinc/99/32/22/484993222.db2.gz YJBSMCGPCMRNST-HUUCEWRRSA-N 2 0 368.478 -0.365 20 0 FBADRP COC(=O)CCN1CCN(C(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)[C@@H](C)C1 ZINC000422123631 484993062 /nfs/dbraw/zinc/99/30/62/484993062.db2.gz YJBSMCGPCMRNST-LSDHHAIUSA-N 2 0 368.478 -0.365 20 0 FBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000422340561 485012142 /nfs/dbraw/zinc/01/21/42/485012142.db2.gz PEOCQJNLDJESQH-HNNXBMFYSA-N 2 0 353.511 -0.319 20 0 FBADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000422340564 485011862 /nfs/dbraw/zinc/01/18/62/485011862.db2.gz PEOCQJNLDJESQH-OAHLLOKOSA-N 2 0 353.511 -0.319 20 0 FBADRP CC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)C1 ZINC000422535782 485030987 /nfs/dbraw/zinc/03/09/87/485030987.db2.gz CGGXFWSLHJRUBW-CVEARBPZSA-N 2 0 365.522 -0.176 20 0 FBADRP CC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)C1 ZINC000422535795 485030895 /nfs/dbraw/zinc/03/08/95/485030895.db2.gz CGGXFWSLHJRUBW-HOTGVXAUSA-N 2 0 365.522 -0.176 20 0 FBADRP CC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)C1 ZINC000422535797 485029809 /nfs/dbraw/zinc/02/98/09/485029809.db2.gz CGGXFWSLHJRUBW-HZPDHXFCSA-N 2 0 365.522 -0.176 20 0 FBADRP CC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)C1 ZINC000422535798 485030525 /nfs/dbraw/zinc/03/05/25/485030525.db2.gz CGGXFWSLHJRUBW-JKSUJKDBSA-N 2 0 365.522 -0.176 20 0 FBADRP CC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000422547102 485031909 /nfs/dbraw/zinc/03/19/09/485031909.db2.gz WIUBIKAHYLOCNI-CVEARBPZSA-N 2 0 352.479 -0.232 20 0 FBADRP CC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000422547103 485033242 /nfs/dbraw/zinc/03/32/42/485033242.db2.gz WIUBIKAHYLOCNI-HOTGVXAUSA-N 2 0 352.479 -0.232 20 0 FBADRP CC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000422547104 485033094 /nfs/dbraw/zinc/03/30/94/485033094.db2.gz WIUBIKAHYLOCNI-HZPDHXFCSA-N 2 0 352.479 -0.232 20 0 FBADRP CC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000422547105 485032807 /nfs/dbraw/zinc/03/28/07/485032807.db2.gz WIUBIKAHYLOCNI-JKSUJKDBSA-N 2 0 352.479 -0.232 20 0 FBADRP CC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC([NH+]3CCO[C@H](C)C3)CC2)C1 ZINC000422549069 485032550 /nfs/dbraw/zinc/03/25/50/485032550.db2.gz ZZPIJRCZOJWQFB-CABCVRRESA-N 2 0 352.479 -0.092 20 0 FBADRP CC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC([NH+]3CCO[C@@H](C)C3)CC2)C1 ZINC000422549070 485034224 /nfs/dbraw/zinc/03/42/24/485034224.db2.gz ZZPIJRCZOJWQFB-GJZGRUSLSA-N 2 0 352.479 -0.092 20 0 FBADRP CC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC([NH+]3CCO[C@H](C)C3)CC2)C1 ZINC000422549071 485033582 /nfs/dbraw/zinc/03/35/82/485033582.db2.gz ZZPIJRCZOJWQFB-HUUCEWRRSA-N 2 0 352.479 -0.092 20 0 FBADRP CC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC([NH+]3CCO[C@@H](C)C3)CC2)C1 ZINC000422549072 485033932 /nfs/dbraw/zinc/03/39/32/485033932.db2.gz ZZPIJRCZOJWQFB-LSDHHAIUSA-N 2 0 352.479 -0.092 20 0 FBADRP C[C@@H]1C[C@@H](C)N(CC(=O)N2CCN(CC(=O)N(C)C)CC2)C[C@H]1C[NH3+] ZINC000422638505 485039921 /nfs/dbraw/zinc/03/99/21/485039921.db2.gz QMICQEYLXDHODM-BZUAXINKSA-N 2 0 353.511 -0.476 20 0 FBADRP C[C@@H]1C[C@@H](C)N(CC(=O)N2CCN(CC(=O)N(C)C)CC2)C[C@@H]1C[NH3+] ZINC000422638510 485039457 /nfs/dbraw/zinc/03/94/57/485039457.db2.gz QMICQEYLXDHODM-OAGGEKHMSA-N 2 0 353.511 -0.476 20 0 FBADRP C[C@@H]1C[C@H](C)N(CC(=O)N2CCN(CC(=O)N(C)C)CC2)C[C@H]1C[NH3+] ZINC000422638511 485039551 /nfs/dbraw/zinc/03/95/51/485039551.db2.gz QMICQEYLXDHODM-OWCLPIDISA-N 2 0 353.511 -0.476 20 0 FBADRP C[C@@H]1C[C@H](C)N(CC(=O)N2CCN(CC(=O)N(C)C)CC2)C[C@@H]1C[NH3+] ZINC000422638512 485039340 /nfs/dbraw/zinc/03/93/40/485039340.db2.gz QMICQEYLXDHODM-PMPSAXMXSA-N 2 0 353.511 -0.476 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC3(CC[NH2+]3)CC2)C1 ZINC000422957032 485053274 /nfs/dbraw/zinc/05/32/74/485053274.db2.gz SBJMHWFAGZULSC-HNNXBMFYSA-N 2 0 352.479 -0.186 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC3(CC[NH2+]3)CC2)C1 ZINC000422957033 485053565 /nfs/dbraw/zinc/05/35/65/485053565.db2.gz SBJMHWFAGZULSC-OAHLLOKOSA-N 2 0 352.479 -0.186 20 0 FBADRP [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)CCO1 ZINC000423038498 485054371 /nfs/dbraw/zinc/05/43/71/485054371.db2.gz OLAFUZVMBYAYAH-KRWDZBQOSA-N 2 0 360.458 -0.093 20 0 FBADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)CCO1 ZINC000423038510 485054983 /nfs/dbraw/zinc/05/49/83/485054983.db2.gz OLAFUZVMBYAYAH-QGZVFWFLSA-N 2 0 360.458 -0.093 20 0 FBADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000423048812 485054263 /nfs/dbraw/zinc/05/42/63/485054263.db2.gz AEAJFXIYWZLEHC-INIZCTEOSA-N 2 0 353.511 -0.461 20 0 FBADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000423048818 485054085 /nfs/dbraw/zinc/05/40/85/485054085.db2.gz AEAJFXIYWZLEHC-MRXNPFEDSA-N 2 0 353.511 -0.461 20 0 FBADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000423048827 485054746 /nfs/dbraw/zinc/05/47/46/485054746.db2.gz AEXLMIJFXGNPEP-INIZCTEOSA-N 2 0 353.511 -0.461 20 0 FBADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000423048829 485054515 /nfs/dbraw/zinc/05/45/15/485054515.db2.gz AEXLMIJFXGNPEP-MRXNPFEDSA-N 2 0 353.511 -0.461 20 0 FBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC000423053572 485056056 /nfs/dbraw/zinc/05/60/56/485056056.db2.gz ARSDIDPUUFUUNN-CVEARBPZSA-N 2 0 351.495 -0.565 20 0 FBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC000423053573 485056629 /nfs/dbraw/zinc/05/66/29/485056629.db2.gz ARSDIDPUUFUUNN-HOTGVXAUSA-N 2 0 351.495 -0.565 20 0 FBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC000423053574 485056069 /nfs/dbraw/zinc/05/60/69/485056069.db2.gz ARSDIDPUUFUUNN-HZPDHXFCSA-N 2 0 351.495 -0.565 20 0 FBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC000423053575 485056429 /nfs/dbraw/zinc/05/64/29/485056429.db2.gz ARSDIDPUUFUUNN-JKSUJKDBSA-N 2 0 351.495 -0.565 20 0 FBADRP CN(C(=O)C(=O)N1CCO[C@H](C[NH3+])C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423059057 485056389 /nfs/dbraw/zinc/05/63/89/485056389.db2.gz KVWGWNUYFZKFAW-DLBZAZTESA-N 2 0 360.458 -0.095 20 0 FBADRP CN(C(=O)C(=O)N1CCO[C@H](C[NH3+])C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423059058 485056223 /nfs/dbraw/zinc/05/62/23/485056223.db2.gz KVWGWNUYFZKFAW-IAGOWNOFSA-N 2 0 360.458 -0.095 20 0 FBADRP CN(C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423059059 485055772 /nfs/dbraw/zinc/05/57/72/485055772.db2.gz KVWGWNUYFZKFAW-IRXDYDNUSA-N 2 0 360.458 -0.095 20 0 FBADRP CN(C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423059060 485056145 /nfs/dbraw/zinc/05/61/45/485056145.db2.gz KVWGWNUYFZKFAW-SJORKVTESA-N 2 0 360.458 -0.095 20 0 FBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000423059504 485056329 /nfs/dbraw/zinc/05/63/29/485056329.db2.gz MEAXEQURQMOCFN-CVEARBPZSA-N 2 0 351.495 -0.565 20 0 FBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C1 ZINC000423059505 485055645 /nfs/dbraw/zinc/05/56/45/485055645.db2.gz MEAXEQURQMOCFN-HOTGVXAUSA-N 2 0 351.495 -0.565 20 0 FBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000423059506 485056118 /nfs/dbraw/zinc/05/61/18/485056118.db2.gz MEAXEQURQMOCFN-HZPDHXFCSA-N 2 0 351.495 -0.565 20 0 FBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C1 ZINC000423059507 485055896 /nfs/dbraw/zinc/05/58/96/485055896.db2.gz MEAXEQURQMOCFN-JKSUJKDBSA-N 2 0 351.495 -0.565 20 0 FBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000423059675 485056097 /nfs/dbraw/zinc/05/60/97/485056097.db2.gz MMYWZBDRVGSFKR-CABCVRRESA-N 2 0 367.494 -0.757 20 0 FBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000423059676 485056010 /nfs/dbraw/zinc/05/60/10/485056010.db2.gz MMYWZBDRVGSFKR-GJZGRUSLSA-N 2 0 367.494 -0.757 20 0 FBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000423059677 485055624 /nfs/dbraw/zinc/05/56/24/485055624.db2.gz MMYWZBDRVGSFKR-HUUCEWRRSA-N 2 0 367.494 -0.757 20 0 FBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000423059678 485055675 /nfs/dbraw/zinc/05/56/75/485055675.db2.gz MMYWZBDRVGSFKR-LSDHHAIUSA-N 2 0 367.494 -0.757 20 0 FBADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000423065056 485056199 /nfs/dbraw/zinc/05/61/99/485056199.db2.gz SJRZCWWBIJZVQJ-HNNXBMFYSA-N 2 0 369.510 -0.654 20 0 FBADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000423065057 485055704 /nfs/dbraw/zinc/05/57/04/485055704.db2.gz SJRZCWWBIJZVQJ-OAHLLOKOSA-N 2 0 369.510 -0.654 20 0 FBADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423092414 485059536 /nfs/dbraw/zinc/05/95/36/485059536.db2.gz BUQXAKCNWPOUOA-HNNXBMFYSA-N 2 0 366.437 -0.098 20 0 FBADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423092415 485059491 /nfs/dbraw/zinc/05/94/91/485059491.db2.gz BUQXAKCNWPOUOA-OAHLLOKOSA-N 2 0 366.437 -0.098 20 0 FBADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000423124226 485058473 /nfs/dbraw/zinc/05/84/73/485058473.db2.gz GEDBDIJROIIKLK-UHFFFAOYSA-N 2 0 355.527 -0.086 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)C[C@@]1(C)C[NH3+] ZINC000423124407 485059010 /nfs/dbraw/zinc/05/90/10/485059010.db2.gz GPAZTOAYKUZDBQ-DNVCBOLYSA-N 2 0 367.538 -0.086 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)C[C@H](C)[NH2+]1 ZINC000423128203 485060200 /nfs/dbraw/zinc/06/02/00/485060200.db2.gz KRYHJKVCVRSKCD-GASCZTMLSA-N 2 0 353.511 -0.320 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)C[C@H](C)[NH2+]1 ZINC000423128204 485060993 /nfs/dbraw/zinc/06/09/93/485060993.db2.gz KRYHJKVCVRSKCD-GJZGRUSLSA-N 2 0 353.511 -0.320 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)C[C@@H](C)[NH2+]1 ZINC000423128205 485061164 /nfs/dbraw/zinc/06/11/64/485061164.db2.gz KRYHJKVCVRSKCD-HUUCEWRRSA-N 2 0 353.511 -0.320 20 0 FBADRP C[C@@H]1CCN(C(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)C[C@@H]1C[NH3+] ZINC000423132542 485060870 /nfs/dbraw/zinc/06/08/70/485060870.db2.gz PMXKMKDTBFJXNZ-CVEARBPZSA-N 2 0 367.538 -0.086 20 0 FBADRP C[C@H]1CCN(C(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)C[C@@H]1C[NH3+] ZINC000423132543 485060016 /nfs/dbraw/zinc/06/00/16/485060016.db2.gz PMXKMKDTBFJXNZ-HOTGVXAUSA-N 2 0 367.538 -0.086 20 0 FBADRP C[C@@H]1CCN(C(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)C[C@H]1C[NH3+] ZINC000423132544 485060523 /nfs/dbraw/zinc/06/05/23/485060523.db2.gz PMXKMKDTBFJXNZ-HZPDHXFCSA-N 2 0 367.538 -0.086 20 0 FBADRP C[C@H]1CCN(C(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)C[C@H]1C[NH3+] ZINC000423132545 485061374 /nfs/dbraw/zinc/06/13/74/485061374.db2.gz PMXKMKDTBFJXNZ-JKSUJKDBSA-N 2 0 367.538 -0.086 20 0 FBADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000423138589 485060841 /nfs/dbraw/zinc/06/08/41/485060841.db2.gz YAUHSUPSOFBZEX-UHFFFAOYSA-N 2 0 353.511 -0.319 20 0 FBADRP O=C(C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000423160555 485061345 /nfs/dbraw/zinc/06/13/45/485061345.db2.gz ZRKYZJUJIMJZSL-DLBZAZTESA-N 2 0 363.506 -0.421 20 0 FBADRP O=C(C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000423160556 485061223 /nfs/dbraw/zinc/06/12/23/485061223.db2.gz ZRKYZJUJIMJZSL-IAGOWNOFSA-N 2 0 363.506 -0.421 20 0 FBADRP O=C(C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000423160557 485060360 /nfs/dbraw/zinc/06/03/60/485060360.db2.gz ZRKYZJUJIMJZSL-IRXDYDNUSA-N 2 0 363.506 -0.421 20 0 FBADRP O=C(C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000423160558 485060644 /nfs/dbraw/zinc/06/06/44/485060644.db2.gz ZRKYZJUJIMJZSL-SJORKVTESA-N 2 0 363.506 -0.421 20 0 FBADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423160973 485061299 /nfs/dbraw/zinc/06/12/99/485061299.db2.gz IFTIWESXHGAYMF-INIZCTEOSA-N 2 0 366.437 -0.098 20 0 FBADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423160974 485061032 /nfs/dbraw/zinc/06/10/32/485061032.db2.gz IFTIWESXHGAYMF-MRXNPFEDSA-N 2 0 366.437 -0.098 20 0 FBADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)o1 ZINC000423171866 485060817 /nfs/dbraw/zinc/06/08/17/485060817.db2.gz QIGVGBXBVXDSJA-HNNXBMFYSA-N 2 0 352.435 -0.336 20 0 FBADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)o1 ZINC000423171867 485060827 /nfs/dbraw/zinc/06/08/27/485060827.db2.gz QIGVGBXBVXDSJA-OAHLLOKOSA-N 2 0 352.435 -0.336 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)C[C@@H](C)[NH2+]1 ZINC000423180714 485063051 /nfs/dbraw/zinc/06/30/51/485063051.db2.gz IOCZLEMGUMOHNX-KFWWJZLASA-N 2 0 352.479 -0.093 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)C[C@H](C)[NH2+]1 ZINC000423180715 485061899 /nfs/dbraw/zinc/06/18/99/485061899.db2.gz IOCZLEMGUMOHNX-QLFBSQMISA-N 2 0 352.479 -0.093 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)C[C@@H](C)[NH2+]1 ZINC000423180716 485062489 /nfs/dbraw/zinc/06/24/89/485062489.db2.gz IOCZLEMGUMOHNX-RBSFLKMASA-N 2 0 352.479 -0.093 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)C[C@H](C)[NH2+]1 ZINC000423180717 485062218 /nfs/dbraw/zinc/06/22/18/485062218.db2.gz IOCZLEMGUMOHNX-ZNMIVQPWSA-N 2 0 352.479 -0.093 20 0 FBADRP C[C@H]1C[N@@H+](C2CCN(C(=O)C(=O)N3CC[NH2+]C(C)(C)C3)CC2)CCO1 ZINC000423185704 485061970 /nfs/dbraw/zinc/06/19/70/485061970.db2.gz VUBSBGIRSHSHAO-AWEZNQCLSA-N 2 0 352.479 -0.092 20 0 FBADRP C[C@@H]1C[N@@H+](C2CCN(C(=O)C(=O)N3CC[NH2+]C(C)(C)C3)CC2)CCO1 ZINC000423185705 485062058 /nfs/dbraw/zinc/06/20/58/485062058.db2.gz VUBSBGIRSHSHAO-CQSZACIVSA-N 2 0 352.479 -0.092 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)C[C@@]1(C)C[NH3+] ZINC000423202316 485064180 /nfs/dbraw/zinc/06/41/80/485064180.db2.gz APRFNAKRSYOHTE-IIDMSEBBSA-N 2 0 354.495 -0.001 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C[C@@]1(C)C[NH3+] ZINC000423202317 485064069 /nfs/dbraw/zinc/06/40/69/485064069.db2.gz APRFNAKRSYOHTE-RVKKMQEKSA-N 2 0 354.495 -0.001 20 0 FBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000423202356 485064553 /nfs/dbraw/zinc/06/45/53/485064553.db2.gz AVPAAHYVTBIZIZ-JYJNAYRXSA-N 2 0 352.479 -0.377 20 0 FBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000423202357 485063649 /nfs/dbraw/zinc/06/36/49/485063649.db2.gz AVPAAHYVTBIZIZ-OAGGEKHMSA-N 2 0 352.479 -0.377 20 0 FBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000423202358 485064480 /nfs/dbraw/zinc/06/44/80/485064480.db2.gz AVPAAHYVTBIZIZ-PMPSAXMXSA-N 2 0 352.479 -0.377 20 0 FBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000423202359 485064235 /nfs/dbraw/zinc/06/42/35/485064235.db2.gz AVPAAHYVTBIZIZ-XHSDSOJGSA-N 2 0 352.479 -0.377 20 0 FBADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CC1 ZINC000423206125 485064020 /nfs/dbraw/zinc/06/40/20/485064020.db2.gz CGEOCGWQWQGTJP-HNNXBMFYSA-N 2 0 367.494 -0.757 20 0 FBADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CC1 ZINC000423206126 485063990 /nfs/dbraw/zinc/06/39/90/485063990.db2.gz CGEOCGWQWQGTJP-OAHLLOKOSA-N 2 0 367.494 -0.757 20 0 FBADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N2CC[NH2+]CC2)CC1 ZINC000423207782 485064519 /nfs/dbraw/zinc/06/45/19/485064519.db2.gz HGJGOYXNSXBYHN-HOTGVXAUSA-N 2 0 351.495 -0.565 20 0 FBADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N2CC[NH2+]CC2)CC1 ZINC000423207783 485064367 /nfs/dbraw/zinc/06/43/67/485064367.db2.gz HGJGOYXNSXBYHN-HZPDHXFCSA-N 2 0 351.495 -0.565 20 0 FBADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N2CC[NH2+]CC2)CC1 ZINC000423207784 485064094 /nfs/dbraw/zinc/06/40/94/485064094.db2.gz HGJGOYXNSXBYHN-IYBDPMFKSA-N 2 0 351.495 -0.565 20 0 FBADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)CC1 ZINC000423208803 485063708 /nfs/dbraw/zinc/06/37/08/485063708.db2.gz HWWAIOXDLOCCPW-GVDBMIGSSA-N 2 0 365.522 -0.176 20 0 FBADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)CC1 ZINC000423208804 485064161 /nfs/dbraw/zinc/06/41/61/485064161.db2.gz HWWAIOXDLOCCPW-ULQDDVLXSA-N 2 0 365.522 -0.176 20 0 FBADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)C(=O)N3CC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000423209582 485063523 /nfs/dbraw/zinc/06/35/23/485063523.db2.gz VELRLBUPZOIYKX-GASCZTMLSA-N 2 0 352.479 -0.234 20 0 FBADRP C[C@H]1C[NH+](CC2CCN(C(=O)C(=O)N3CC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000423209584 485064218 /nfs/dbraw/zinc/06/42/18/485064218.db2.gz VELRLBUPZOIYKX-GJZGRUSLSA-N 2 0 352.479 -0.234 20 0 FBADRP C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)N3CC[NH2+]CC3)CC2)C[C@@H](C)O1 ZINC000423209585 485064120 /nfs/dbraw/zinc/06/41/20/485064120.db2.gz VELRLBUPZOIYKX-HUUCEWRRSA-N 2 0 352.479 -0.234 20 0 FBADRP C[C@H]1C[NH+](CC2CCN(C(=O)C(=O)N3CC[C@H]([NH3+])C3)CC2)C[C@H](C)O1 ZINC000423209791 485063446 /nfs/dbraw/zinc/06/34/46/485063446.db2.gz VREPZNJMPCQYIS-DZKIICNBSA-N 2 0 352.479 -0.106 20 0 FBADRP C[C@H]1C[NH+](CC2CCN(C(=O)C(=O)N3CC[C@@H]([NH3+])C3)CC2)C[C@H](C)O1 ZINC000423209792 485064241 /nfs/dbraw/zinc/06/42/41/485064241.db2.gz VREPZNJMPCQYIS-OFQRWUPVSA-N 2 0 352.479 -0.106 20 0 FBADRP [NH3+][C@H]1CCCN(C(=O)C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)C1 ZINC000423209872 485063419 /nfs/dbraw/zinc/06/34/19/485063419.db2.gz FNWDJIKRPOMZQM-INIZCTEOSA-N 2 0 352.479 -0.103 20 0 FBADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423210221 485064419 /nfs/dbraw/zinc/06/44/19/485064419.db2.gz WLRZRMAYPPSHPM-INIZCTEOSA-N 2 0 366.437 -0.098 20 0 FBADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423210222 485063397 /nfs/dbraw/zinc/06/33/97/485063397.db2.gz WLRZRMAYPPSHPM-MRXNPFEDSA-N 2 0 366.437 -0.098 20 0 FBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000423210583 485064539 /nfs/dbraw/zinc/06/45/39/485064539.db2.gz KAMFMYPTNCHTHZ-CABCVRRESA-N 2 0 356.467 -0.868 20 0 FBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000423210584 485063508 /nfs/dbraw/zinc/06/35/08/485063508.db2.gz KAMFMYPTNCHTHZ-GJZGRUSLSA-N 2 0 356.467 -0.868 20 0 FBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000423210585 485063725 /nfs/dbraw/zinc/06/37/25/485063725.db2.gz KAMFMYPTNCHTHZ-HUUCEWRRSA-N 2 0 356.467 -0.868 20 0 FBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000423210586 485063621 /nfs/dbraw/zinc/06/36/21/485063621.db2.gz KAMFMYPTNCHTHZ-LSDHHAIUSA-N 2 0 356.467 -0.868 20 0 FBADRP C[C@@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)C[C@H]1C[NH3+] ZINC000423211649 485064192 /nfs/dbraw/zinc/06/41/92/485064192.db2.gz LBAZNLAVDSEIGL-BZUAXINKSA-N 2 0 354.495 -0.001 20 0 FBADRP C[C@@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C[C@H]1C[NH3+] ZINC000423211650 485063594 /nfs/dbraw/zinc/06/35/94/485063594.db2.gz LBAZNLAVDSEIGL-OAGGEKHMSA-N 2 0 354.495 -0.001 20 0 FBADRP C[C@@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)C[C@@H]1C[NH3+] ZINC000423211651 485064408 /nfs/dbraw/zinc/06/44/08/485064408.db2.gz LBAZNLAVDSEIGL-OWCLPIDISA-N 2 0 354.495 -0.001 20 0 FBADRP C[C@@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C[C@@H]1C[NH3+] ZINC000423211652 485064587 /nfs/dbraw/zinc/06/45/87/485064587.db2.gz LBAZNLAVDSEIGL-PMPSAXMXSA-N 2 0 354.495 -0.001 20 0 FBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000423211653 485064567 /nfs/dbraw/zinc/06/45/67/485064567.db2.gz LBDBJCKRCRPAPA-CRAIPNDOSA-N 2 0 352.479 -0.232 20 0 FBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000423211654 485063479 /nfs/dbraw/zinc/06/34/79/485063479.db2.gz LBDBJCKRCRPAPA-MAUKXSAKSA-N 2 0 352.479 -0.232 20 0 FBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000423211655 485063861 /nfs/dbraw/zinc/06/38/61/485063861.db2.gz LBDBJCKRCRPAPA-QAPCUYQASA-N 2 0 352.479 -0.232 20 0 FBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000423211656 485064042 /nfs/dbraw/zinc/06/40/42/485064042.db2.gz LBDBJCKRCRPAPA-YJBOKZPZSA-N 2 0 352.479 -0.232 20 0 FBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000423213515 660457906 /nfs/dbraw/zinc/45/79/06/660457906.db2.gz NIVZNMUFVHTYST-CRAIPNDOSA-N 2 0 352.479 -0.090 20 0 FBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000423213516 660457888 /nfs/dbraw/zinc/45/78/88/660457888.db2.gz NIVZNMUFVHTYST-MAUKXSAKSA-N 2 0 352.479 -0.090 20 0 FBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000423213517 658805370 /nfs/dbraw/zinc/80/53/70/658805370.db2.gz NIVZNMUFVHTYST-QAPCUYQASA-N 2 0 352.479 -0.090 20 0 FBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000423213518 658805890 /nfs/dbraw/zinc/80/58/90/658805890.db2.gz NIVZNMUFVHTYST-YJBOKZPZSA-N 2 0 352.479 -0.090 20 0 FBADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC000423213992 485062096 /nfs/dbraw/zinc/06/20/96/485062096.db2.gz OBJIUPJXSBIIBZ-BZUAXINKSA-N 2 0 351.495 -0.437 20 0 FBADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC000423213993 485063007 /nfs/dbraw/zinc/06/30/07/485063007.db2.gz OBJIUPJXSBIIBZ-HRCADAONSA-N 2 0 351.495 -0.437 20 0 FBADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000423213994 485062390 /nfs/dbraw/zinc/06/23/90/485062390.db2.gz OBJIUPJXSBIIBZ-JYJNAYRXSA-N 2 0 351.495 -0.437 20 0 FBADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000423213995 485063818 /nfs/dbraw/zinc/06/38/18/485063818.db2.gz OBJIUPJXSBIIBZ-OAGGEKHMSA-N 2 0 351.495 -0.437 20 0 FBADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC000423213996 485063974 /nfs/dbraw/zinc/06/39/74/485063974.db2.gz OBJIUPJXSBIIBZ-OWCLPIDISA-N 2 0 351.495 -0.437 20 0 FBADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000423213997 485064461 /nfs/dbraw/zinc/06/44/61/485064461.db2.gz OBJIUPJXSBIIBZ-XHSDSOJGSA-N 2 0 351.495 -0.437 20 0 FBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000423215313 485063942 /nfs/dbraw/zinc/06/39/42/485063942.db2.gz QJALVVZKNMZBGE-HRCADAONSA-N 2 0 352.479 -0.234 20 0 FBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000423215314 485065686 /nfs/dbraw/zinc/06/56/86/485065686.db2.gz QJALVVZKNMZBGE-JYJNAYRXSA-N 2 0 352.479 -0.234 20 0 FBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000423215315 485065515 /nfs/dbraw/zinc/06/55/15/485065515.db2.gz QJALVVZKNMZBGE-OWCLPIDISA-N 2 0 352.479 -0.234 20 0 FBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000423215316 485065728 /nfs/dbraw/zinc/06/57/28/485065728.db2.gz QJALVVZKNMZBGE-PMPSAXMXSA-N 2 0 352.479 -0.234 20 0 FBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000423215375 485066017 /nfs/dbraw/zinc/06/60/17/485066017.db2.gz QNVZAHLWMLBIED-OWCLPIDISA-N 2 0 352.479 -0.092 20 0 FBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000423215376 485065105 /nfs/dbraw/zinc/06/51/05/485065105.db2.gz QNVZAHLWMLBIED-XHSDSOJGSA-N 2 0 352.479 -0.092 20 0 FBADRP C[NH2+]CCN(C)C(=O)C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000423216282 484304169 /nfs/dbraw/zinc/30/41/69/484304169.db2.gz RLFLNIKNZHOVDG-HOTGVXAUSA-N 2 0 353.511 -0.319 20 0 FBADRP C[NH2+]CCN(C)C(=O)C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000423216284 484303755 /nfs/dbraw/zinc/30/37/55/484303755.db2.gz RLFLNIKNZHOVDG-HZPDHXFCSA-N 2 0 353.511 -0.319 20 0 FBADRP C[NH2+]CCN(C)C(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000423216286 484304030 /nfs/dbraw/zinc/30/40/30/484304030.db2.gz RLFLNIKNZHOVDG-IYBDPMFKSA-N 2 0 353.511 -0.319 20 0 FBADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000423216383 485065174 /nfs/dbraw/zinc/06/51/74/485065174.db2.gz RVSQBECZZSNGIY-BBWFWOEESA-N 2 0 365.522 -0.047 20 0 FBADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000423216384 485066308 /nfs/dbraw/zinc/06/63/08/485066308.db2.gz RVSQBECZZSNGIY-ZACQAIPSSA-N 2 0 365.522 -0.047 20 0 FBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423217721 485065211 /nfs/dbraw/zinc/06/52/11/485065211.db2.gz ULKDXDQGUPLZPN-JYJNAYRXSA-N 2 0 352.479 -0.377 20 0 FBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423217722 485066214 /nfs/dbraw/zinc/06/62/14/485066214.db2.gz ULKDXDQGUPLZPN-OAGGEKHMSA-N 2 0 352.479 -0.377 20 0 FBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423217723 485066292 /nfs/dbraw/zinc/06/62/92/485066292.db2.gz ULKDXDQGUPLZPN-PMPSAXMXSA-N 2 0 352.479 -0.377 20 0 FBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423217724 485065743 /nfs/dbraw/zinc/06/57/43/485065743.db2.gz ULKDXDQGUPLZPN-XHSDSOJGSA-N 2 0 352.479 -0.377 20 0 FBADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000423218722 485066122 /nfs/dbraw/zinc/06/61/22/485066122.db2.gz VVLZOZZEJJYLRD-BBWFWOEESA-N 2 0 365.522 -0.176 20 0 FBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)C1 ZINC000423218723 485065809 /nfs/dbraw/zinc/06/58/09/485065809.db2.gz VVLZOZZEJJYLRD-BRWVUGGUSA-N 2 0 365.522 -0.176 20 0 FBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000423218724 485065778 /nfs/dbraw/zinc/06/57/78/485065778.db2.gz VVLZOZZEJJYLRD-IXDOHACOSA-N 2 0 365.522 -0.176 20 0 FBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)C1 ZINC000423218725 485065535 /nfs/dbraw/zinc/06/55/35/485065535.db2.gz VVLZOZZEJJYLRD-YESZJQIVSA-N 2 0 365.522 -0.176 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)CC1 ZINC000423240642 485066277 /nfs/dbraw/zinc/06/62/77/485066277.db2.gz CMPDZQPTUVNZOD-GOSISDBHSA-N 2 0 367.494 -0.804 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)CC1 ZINC000423240644 485065362 /nfs/dbraw/zinc/06/53/62/485065362.db2.gz CMPDZQPTUVNZOD-SFHVURJKSA-N 2 0 367.494 -0.804 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N(C)CCC[NH2+]C)CC1 ZINC000423246035 485065911 /nfs/dbraw/zinc/06/59/11/485065911.db2.gz JQZDXXQEXGSLFT-UHFFFAOYSA-N 2 0 355.483 -0.933 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)CC1 ZINC000423246823 485065121 /nfs/dbraw/zinc/06/51/21/485065121.db2.gz KHUJPWCHJADHQQ-GASCZTMLSA-N 2 0 367.494 -0.792 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)CC1 ZINC000423246824 485066248 /nfs/dbraw/zinc/06/62/48/485066248.db2.gz KHUJPWCHJADHQQ-GJZGRUSLSA-N 2 0 367.494 -0.792 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)CC1 ZINC000423246825 485065828 /nfs/dbraw/zinc/06/58/28/485065828.db2.gz KHUJPWCHJADHQQ-HUUCEWRRSA-N 2 0 367.494 -0.792 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)CC1 ZINC000423250335 485066258 /nfs/dbraw/zinc/06/62/58/485066258.db2.gz QDSFGVZBFOOTJE-CABCVRRESA-N 2 0 367.494 -0.805 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)CC1 ZINC000423250336 485066041 /nfs/dbraw/zinc/06/60/41/485066041.db2.gz QDSFGVZBFOOTJE-GJZGRUSLSA-N 2 0 367.494 -0.805 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)CC1 ZINC000423250411 485066161 /nfs/dbraw/zinc/06/61/61/485066161.db2.gz QDSFGVZBFOOTJE-HUUCEWRRSA-N 2 0 367.494 -0.805 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)CC1 ZINC000423250414 485065604 /nfs/dbraw/zinc/06/56/04/485065604.db2.gz QDSFGVZBFOOTJE-LSDHHAIUSA-N 2 0 367.494 -0.805 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CC1 ZINC000423251365 485065417 /nfs/dbraw/zinc/06/54/17/485065417.db2.gz RWRNRKHMFGVHOP-UHFFFAOYSA-N 2 0 367.494 -0.791 20 0 FBADRP CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000423251419 485065932 /nfs/dbraw/zinc/06/59/32/485065932.db2.gz SCLOHVLHOQLGAS-UHFFFAOYSA-N 2 0 367.494 -0.804 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC(C[NH3+])CC2)CC1 ZINC000423253319 485065671 /nfs/dbraw/zinc/06/56/71/485065671.db2.gz VSUYBRPAGLEHMJ-UHFFFAOYSA-N 2 0 367.494 -0.804 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N(C)CC(C)(C)C[NH3+])CC1 ZINC000423254627 485065635 /nfs/dbraw/zinc/06/56/35/485065635.db2.gz YVNXECZTWSXPEC-UHFFFAOYSA-N 2 0 369.510 -0.558 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC[C@H]([NH2+]C)C2)CC1 ZINC000423254820 485065313 /nfs/dbraw/zinc/06/53/13/485065313.db2.gz ZOWDCCKUJVJQML-HNNXBMFYSA-N 2 0 367.494 -0.791 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC[C@@H]([NH2+]C)C2)CC1 ZINC000423254821 485066110 /nfs/dbraw/zinc/06/61/10/485066110.db2.gz ZOWDCCKUJVJQML-OAHLLOKOSA-N 2 0 367.494 -0.791 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000423254834 485065949 /nfs/dbraw/zinc/06/59/49/485065949.db2.gz ZRUGXIWKJZHGNY-CABCVRRESA-N 2 0 367.494 -0.805 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000423254835 485065492 /nfs/dbraw/zinc/06/54/92/485065492.db2.gz ZRUGXIWKJZHGNY-GJZGRUSLSA-N 2 0 367.494 -0.805 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000423254836 485065294 /nfs/dbraw/zinc/06/52/94/485065294.db2.gz ZRUGXIWKJZHGNY-HUUCEWRRSA-N 2 0 367.494 -0.805 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000423254837 485065965 /nfs/dbraw/zinc/06/59/65/485065965.db2.gz ZRUGXIWKJZHGNY-LSDHHAIUSA-N 2 0 367.494 -0.805 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@](C)(C[NH3+])C3)CC2)c1 ZINC000423254968 485066267 /nfs/dbraw/zinc/06/62/67/485066267.db2.gz AEGLXJNVVCTFEV-GOSISDBHSA-N 2 0 361.446 -0.064 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@@](C)(C[NH3+])C3)CC2)c1 ZINC000423254969 485065319 /nfs/dbraw/zinc/06/53/19/485065319.db2.gz AEGLXJNVVCTFEV-SFHVURJKSA-N 2 0 361.446 -0.064 20 0 FBADRP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCN(c3cc(OC)cc[nH+]3)CC2)C1 ZINC000423256318 485066283 /nfs/dbraw/zinc/06/62/83/485066283.db2.gz DYZGKSGGKDQSIM-AWEZNQCLSA-N 2 0 361.446 -0.051 20 0 FBADRP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN(c3cc(OC)cc[nH+]3)CC2)C1 ZINC000423256319 485067745 /nfs/dbraw/zinc/06/77/45/485067745.db2.gz DYZGKSGGKDQSIM-CQSZACIVSA-N 2 0 361.446 -0.051 20 0 FBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000423259368 485066780 /nfs/dbraw/zinc/06/67/80/485066780.db2.gz DOUUXIJTBWFGCU-DLBZAZTESA-N 2 0 362.474 -0.024 20 0 FBADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000423259977 485067808 /nfs/dbraw/zinc/06/78/08/485067808.db2.gz GISBTOPCWGXWLT-CVEARBPZSA-N 2 0 354.495 -0.129 20 0 FBADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000423259978 485067861 /nfs/dbraw/zinc/06/78/61/485067861.db2.gz GISBTOPCWGXWLT-HOTGVXAUSA-N 2 0 354.495 -0.129 20 0 FBADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000423259979 485066977 /nfs/dbraw/zinc/06/69/77/485066977.db2.gz GISBTOPCWGXWLT-HZPDHXFCSA-N 2 0 354.495 -0.129 20 0 FBADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000423259980 485066712 /nfs/dbraw/zinc/06/67/12/485066712.db2.gz GISBTOPCWGXWLT-JKSUJKDBSA-N 2 0 354.495 -0.129 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCC(C[NH3+])CC3)CC2)c1 ZINC000423260519 485066629 /nfs/dbraw/zinc/06/66/29/485066629.db2.gz QJUSJBJIGUAOEV-UHFFFAOYSA-N 2 0 361.446 -0.064 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@H]([C@H](C)[NH3+])C3)CC2)c1 ZINC000423261929 485067532 /nfs/dbraw/zinc/06/75/32/485067532.db2.gz UASBESSFRJVJNP-KBPBESRZSA-N 2 0 361.446 -0.066 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@H]([C@@H](C)[NH3+])C3)CC2)c1 ZINC000423261930 485067219 /nfs/dbraw/zinc/06/72/19/485067219.db2.gz UASBESSFRJVJNP-KGLIPLIRSA-N 2 0 361.446 -0.066 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@@H]([C@H](C)[NH3+])C3)CC2)c1 ZINC000423261931 485067521 /nfs/dbraw/zinc/06/75/21/485067521.db2.gz UASBESSFRJVJNP-UONOGXRCSA-N 2 0 361.446 -0.066 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@@H]([C@@H](C)[NH3+])C3)CC2)c1 ZINC000423261932 485067286 /nfs/dbraw/zinc/06/72/86/485067286.db2.gz UASBESSFRJVJNP-ZIAGYGMSSA-N 2 0 361.446 -0.066 20 0 FBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000423261988 485066734 /nfs/dbraw/zinc/06/67/34/485066734.db2.gz LGVAJIMCDXTPQG-CVEARBPZSA-N 2 0 354.495 -0.129 20 0 FBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000423261989 485067669 /nfs/dbraw/zinc/06/76/69/485067669.db2.gz LGVAJIMCDXTPQG-HOTGVXAUSA-N 2 0 354.495 -0.129 20 0 FBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000423261990 485067343 /nfs/dbraw/zinc/06/73/43/485067343.db2.gz LGVAJIMCDXTPQG-HZPDHXFCSA-N 2 0 354.495 -0.129 20 0 FBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000423261991 485067975 /nfs/dbraw/zinc/06/79/75/485067975.db2.gz LGVAJIMCDXTPQG-JKSUJKDBSA-N 2 0 354.495 -0.129 20 0 FBADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000423263346 485067565 /nfs/dbraw/zinc/06/75/65/485067565.db2.gz AZUPWFKEAQHGMV-BBWFWOEESA-N 2 0 363.506 -0.707 20 0 FBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000423263347 485067393 /nfs/dbraw/zinc/06/73/93/485067393.db2.gz AZUPWFKEAQHGMV-IXDOHACOSA-N 2 0 363.506 -0.707 20 0 FBADRP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000423263349 485067060 /nfs/dbraw/zinc/06/70/60/485067060.db2.gz AZZHOQLPZUIFKO-DLBZAZTESA-N 2 0 365.522 -0.175 20 0 FBADRP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000423263350 485067616 /nfs/dbraw/zinc/06/76/16/485067616.db2.gz AZZHOQLPZUIFKO-IAGOWNOFSA-N 2 0 365.522 -0.175 20 0 FBADRP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000423263351 485067851 /nfs/dbraw/zinc/06/78/51/485067851.db2.gz AZZHOQLPZUIFKO-IRXDYDNUSA-N 2 0 365.522 -0.175 20 0 FBADRP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000423263352 485067874 /nfs/dbraw/zinc/06/78/74/485067874.db2.gz AZZHOQLPZUIFKO-SJORKVTESA-N 2 0 365.522 -0.175 20 0 FBADRP CN(CC[NH3+])C(=O)C(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000423268219 485067695 /nfs/dbraw/zinc/06/76/95/485067695.db2.gz ULRJCXZODRXGDA-UHFFFAOYSA-N 2 0 361.490 -0.320 20 0 FBADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CC1 ZINC000423268553 485067681 /nfs/dbraw/zinc/06/76/81/485067681.db2.gz GNZJIRWOIQMDEG-CVEARBPZSA-N 2 0 351.495 -0.435 20 0 FBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CC1 ZINC000423268560 485066941 /nfs/dbraw/zinc/06/69/41/485066941.db2.gz GNZJIRWOIQMDEG-HZPDHXFCSA-N 2 0 351.495 -0.435 20 0 FBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000423269001 485067986 /nfs/dbraw/zinc/06/79/86/485067986.db2.gz VMBGKQNWHYKXOF-INIZCTEOSA-N 2 0 354.495 -0.129 20 0 FBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000423269004 485066653 /nfs/dbraw/zinc/06/66/53/485066653.db2.gz VMBGKQNWHYKXOF-MRXNPFEDSA-N 2 0 354.495 -0.129 20 0 FBADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000423270816 485069882 /nfs/dbraw/zinc/06/98/82/485069882.db2.gz WYRVXUZKLPUGRV-HNNXBMFYSA-N 2 0 358.483 -0.621 20 0 FBADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000423270817 485069761 /nfs/dbraw/zinc/06/97/61/485069761.db2.gz WYRVXUZKLPUGRV-OAHLLOKOSA-N 2 0 358.483 -0.621 20 0 FBADRP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CC1 ZINC000423270951 485069946 /nfs/dbraw/zinc/06/99/46/485069946.db2.gz HCTUZIVEDPBQAU-AWEZNQCLSA-N 2 0 354.495 -0.252 20 0 FBADRP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CC1 ZINC000423270952 485069729 /nfs/dbraw/zinc/06/97/29/485069729.db2.gz HCTUZIVEDPBQAU-CQSZACIVSA-N 2 0 354.495 -0.252 20 0 FBADRP C[N@H+](CCN1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)CC1)Cc1ccccc1 ZINC000423271494 485068598 /nfs/dbraw/zinc/06/85/98/485068598.db2.gz XUIXWDDJDWDHSH-GOSISDBHSA-N 2 0 373.501 -0.178 20 0 FBADRP C[N@H+](CCN1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)CC1)Cc1ccccc1 ZINC000423271495 485069898 /nfs/dbraw/zinc/06/98/98/485069898.db2.gz XUIXWDDJDWDHSH-SFHVURJKSA-N 2 0 373.501 -0.178 20 0 FBADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423271780 485069269 /nfs/dbraw/zinc/06/92/69/485069269.db2.gz YEPZXIIAADDXNV-CVEARBPZSA-N 2 0 354.495 -0.129 20 0 FBADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423271783 485069695 /nfs/dbraw/zinc/06/96/95/485069695.db2.gz YEPZXIIAADDXNV-HOTGVXAUSA-N 2 0 354.495 -0.129 20 0 FBADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423271785 485069348 /nfs/dbraw/zinc/06/93/48/485069348.db2.gz YEPZXIIAADDXNV-HZPDHXFCSA-N 2 0 354.495 -0.129 20 0 FBADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423271787 485069200 /nfs/dbraw/zinc/06/92/00/485069200.db2.gz YEPZXIIAADDXNV-JKSUJKDBSA-N 2 0 354.495 -0.129 20 0 FBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000423276552 485069549 /nfs/dbraw/zinc/06/95/49/485069549.db2.gz OOYRJZLWOMDRML-CVEARBPZSA-N 2 0 351.495 -0.565 20 0 FBADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000423276554 485069012 /nfs/dbraw/zinc/06/90/12/485069012.db2.gz OOYRJZLWOMDRML-HOTGVXAUSA-N 2 0 351.495 -0.565 20 0 FBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000423276556 485069650 /nfs/dbraw/zinc/06/96/50/485069650.db2.gz OOYRJZLWOMDRML-HZPDHXFCSA-N 2 0 351.495 -0.565 20 0 FBADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000423276558 485068928 /nfs/dbraw/zinc/06/89/28/485068928.db2.gz OOYRJZLWOMDRML-JKSUJKDBSA-N 2 0 351.495 -0.565 20 0 FBADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N2CCC(C[NH3+])CC2)CC1 ZINC000423276776 485069400 /nfs/dbraw/zinc/06/94/00/485069400.db2.gz OUQHMZHLJLARHD-KRWDZBQOSA-N 2 0 365.522 -0.188 20 0 FBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N2CCC(C[NH3+])CC2)CC1 ZINC000423276777 485068758 /nfs/dbraw/zinc/06/87/58/485068758.db2.gz OUQHMZHLJLARHD-QGZVFWFLSA-N 2 0 365.522 -0.188 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)CC[NH2+]1 ZINC000423279159 485071756 /nfs/dbraw/zinc/07/17/56/485071756.db2.gz ROUQQIYUEXYDAR-CVEARBPZSA-N 2 0 351.495 -0.565 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)CC[NH2+]1 ZINC000423279160 485070549 /nfs/dbraw/zinc/07/05/49/485070549.db2.gz ROUQQIYUEXYDAR-HOTGVXAUSA-N 2 0 351.495 -0.565 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)CC[NH2+]1 ZINC000423279161 485070481 /nfs/dbraw/zinc/07/04/81/485070481.db2.gz ROUQQIYUEXYDAR-HZPDHXFCSA-N 2 0 351.495 -0.565 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)CC[NH2+]1 ZINC000423279162 485071813 /nfs/dbraw/zinc/07/18/13/485071813.db2.gz ROUQQIYUEXYDAR-JKSUJKDBSA-N 2 0 351.495 -0.565 20 0 FBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)CC1 ZINC000423280708 485070864 /nfs/dbraw/zinc/07/08/64/485070864.db2.gz UKAUACKACXIYPO-APWZRJJASA-N 2 0 365.522 -0.188 20 0 FBADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)CC1 ZINC000423280709 485071300 /nfs/dbraw/zinc/07/13/00/485071300.db2.gz UKAUACKACXIYPO-LPHOPBHVSA-N 2 0 365.522 -0.188 20 0 FBADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)CC1 ZINC000423280710 485071101 /nfs/dbraw/zinc/07/11/01/485071101.db2.gz UKAUACKACXIYPO-QFBILLFUSA-N 2 0 365.522 -0.188 20 0 FBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)CC1 ZINC000423280711 485071134 /nfs/dbraw/zinc/07/11/34/485071134.db2.gz UKAUACKACXIYPO-VQIMIIECSA-N 2 0 365.522 -0.188 20 0 FBADRP C[NH2+]CCCN(C)C(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000423281054 485070993 /nfs/dbraw/zinc/07/09/93/485070993.db2.gz UOXGZMXVAZYJAM-INIZCTEOSA-N 2 0 353.511 -0.317 20 0 FBADRP C[NH2+]CCCN(C)C(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000423281055 485071019 /nfs/dbraw/zinc/07/10/19/485071019.db2.gz UOXGZMXVAZYJAM-MRXNPFEDSA-N 2 0 353.511 -0.317 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)C[C@H](C)[NH2+]1 ZINC000423283313 485071478 /nfs/dbraw/zinc/07/14/78/485071478.db2.gz WYWDPHHFGFRCRL-BBWFWOEESA-N 2 0 365.522 -0.176 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)C[C@@H](C)[NH2+]1 ZINC000423283314 485071243 /nfs/dbraw/zinc/07/12/43/485071243.db2.gz WYWDPHHFGFRCRL-BRWVUGGUSA-N 2 0 365.522 -0.176 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)C[C@H](C)[NH2+]1 ZINC000423283315 485071367 /nfs/dbraw/zinc/07/13/67/485071367.db2.gz WYWDPHHFGFRCRL-IXDOHACOSA-N 2 0 365.522 -0.176 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)C[C@@H](C)[NH2+]1 ZINC000423283316 485070662 /nfs/dbraw/zinc/07/06/62/485070662.db2.gz WYWDPHHFGFRCRL-ZACQAIPSSA-N 2 0 365.522 -0.176 20 0 FBADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CC1 ZINC000423283719 485071149 /nfs/dbraw/zinc/07/11/49/485071149.db2.gz XKYJLEKVUZHEKX-INIZCTEOSA-N 2 0 365.522 -0.175 20 0 FBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CC1 ZINC000423283720 485071503 /nfs/dbraw/zinc/07/15/03/485071503.db2.gz XKYJLEKVUZHEKX-MRXNPFEDSA-N 2 0 365.522 -0.175 20 0 FBADRP C[NH+](C)Cc1ccc(N2CCN(C(=O)C(=O)N3CCC[C@@H]([NH3+])C3)CC2)nc1 ZINC000423288048 485073341 /nfs/dbraw/zinc/07/33/41/485073341.db2.gz QDJZWXKVGITYES-MRXNPFEDSA-N 2 0 374.489 -0.259 20 0 FBADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC000423293268 485072590 /nfs/dbraw/zinc/07/25/90/485072590.db2.gz QPYCCFATMIJTPN-GASCZTMLSA-N 2 0 352.479 -0.092 20 0 FBADRP CC1CCC([NH+]2CCN(C(=O)C(=O)N3CCO[C@@H](C[NH3+])C3)CC2)CC1 ZINC000423299803 485073057 /nfs/dbraw/zinc/07/30/57/485073057.db2.gz CPVRDULIOOASJP-GPANFISMSA-N 2 0 352.479 -0.105 20 0 FBADRP CC1CCC([NH+]2CCN(C(=O)C(=O)N3CCO[C@H](C[NH3+])C3)CC2)CC1 ZINC000423299804 485073301 /nfs/dbraw/zinc/07/33/01/485073301.db2.gz CPVRDULIOOASJP-UYSNPLJNSA-N 2 0 352.479 -0.105 20 0 FBADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000423309794 485072502 /nfs/dbraw/zinc/07/25/02/485072502.db2.gz QSMNPAZIXAKQNM-INIZCTEOSA-N 2 0 351.495 -0.563 20 0 FBADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000423309798 485072315 /nfs/dbraw/zinc/07/23/15/485072315.db2.gz QSMNPAZIXAKQNM-MRXNPFEDSA-N 2 0 351.495 -0.563 20 0 FBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000423367284 485077910 /nfs/dbraw/zinc/07/79/10/485077910.db2.gz ACOCMMOEWKYPDH-IBGZPJMESA-N 2 0 373.457 -0.049 20 0 FBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000423367285 485077753 /nfs/dbraw/zinc/07/77/53/485077753.db2.gz ACOCMMOEWKYPDH-LJQANCHMSA-N 2 0 373.457 -0.049 20 0 FBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000423367967 485078165 /nfs/dbraw/zinc/07/81/65/485078165.db2.gz AWTMSEUXPSREFC-OKILXGFUSA-N 2 0 359.430 -0.583 20 0 FBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)CC1 ZINC000423368925 485077457 /nfs/dbraw/zinc/07/74/57/485077457.db2.gz BLBLRTNJHSSQQM-KBPBESRZSA-N 2 0 361.446 -0.052 20 0 FBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)CC1 ZINC000423368934 485077507 /nfs/dbraw/zinc/07/75/07/485077507.db2.gz BLBLRTNJHSSQQM-OKILXGFUSA-N 2 0 361.446 -0.052 20 0 FBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)CC1 ZINC000423368936 485077735 /nfs/dbraw/zinc/07/77/35/485077735.db2.gz BLBLRTNJHSSQQM-ZIAGYGMSSA-N 2 0 361.446 -0.052 20 0 FBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000423369045 485077331 /nfs/dbraw/zinc/07/73/31/485077331.db2.gz BQFURFTWKSGHIJ-CABCVRRESA-N 2 0 373.457 -0.193 20 0 FBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000423369047 485077708 /nfs/dbraw/zinc/07/77/08/485077708.db2.gz BQFURFTWKSGHIJ-GJZGRUSLSA-N 2 0 373.457 -0.193 20 0 FBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)CC1 ZINC000423369049 485078077 /nfs/dbraw/zinc/07/80/77/485078077.db2.gz BQFURFTWKSGHIJ-HUUCEWRRSA-N 2 0 373.457 -0.193 20 0 FBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000423369050 485078041 /nfs/dbraw/zinc/07/80/41/485078041.db2.gz BQFURFTWKSGHIJ-LSDHHAIUSA-N 2 0 373.457 -0.193 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)CC[NH2+]1 ZINC000423369065 485077882 /nfs/dbraw/zinc/07/78/82/485077882.db2.gz BTYMTIONPGPWPK-CABCVRRESA-N 2 0 351.495 -0.566 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)CC[NH2+]1 ZINC000423369066 485077298 /nfs/dbraw/zinc/07/72/98/485077298.db2.gz BTYMTIONPGPWPK-GJZGRUSLSA-N 2 0 351.495 -0.566 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)CC[NH2+]1 ZINC000423369067 485077223 /nfs/dbraw/zinc/07/72/23/485077223.db2.gz BTYMTIONPGPWPK-HUUCEWRRSA-N 2 0 351.495 -0.566 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)CCN1C1CC[NH+](C)CC1 ZINC000423369068 485077962 /nfs/dbraw/zinc/07/79/62/485077962.db2.gz BTYMTIONPGPWPK-LSDHHAIUSA-N 2 0 351.495 -0.566 20 0 FBADRP C[NH2+]CCCN(C)C(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000423369454 485077390 /nfs/dbraw/zinc/07/73/90/485077390.db2.gz CFAMLWNPEOQAQQ-HNNXBMFYSA-N 2 0 353.511 -0.319 20 0 FBADRP C[NH2+]CCCN(C)C(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000423369455 485077538 /nfs/dbraw/zinc/07/75/38/485077538.db2.gz CFAMLWNPEOQAQQ-OAHLLOKOSA-N 2 0 353.511 -0.319 20 0 FBADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423369831 485077926 /nfs/dbraw/zinc/07/79/26/485077926.db2.gz OXEMKILGVNVKAV-CYBMUJFWSA-N 2 0 354.476 -0.176 20 0 FBADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423369832 485077899 /nfs/dbraw/zinc/07/78/99/485077899.db2.gz OXEMKILGVNVKAV-ZDUSSCGKSA-N 2 0 354.476 -0.176 20 0 FBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)CC1 ZINC000423370449 485077811 /nfs/dbraw/zinc/07/78/11/485077811.db2.gz DLMQKVKRKNMGAH-GOSISDBHSA-N 2 0 361.446 -0.064 20 0 FBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)CC1 ZINC000423370450 485078148 /nfs/dbraw/zinc/07/81/48/485078148.db2.gz DLMQKVKRKNMGAH-SFHVURJKSA-N 2 0 361.446 -0.064 20 0 FBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)CC1 ZINC000423375330 485079840 /nfs/dbraw/zinc/07/98/40/485079840.db2.gz IQESSXOIMBKDCP-KBPBESRZSA-N 2 0 361.446 -0.066 20 0 FBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)CC1 ZINC000423375331 485080365 /nfs/dbraw/zinc/08/03/65/485080365.db2.gz IQESSXOIMBKDCP-KGLIPLIRSA-N 2 0 361.446 -0.066 20 0 FBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)CC1 ZINC000423375332 485080928 /nfs/dbraw/zinc/08/09/28/485080928.db2.gz IQESSXOIMBKDCP-UONOGXRCSA-N 2 0 361.446 -0.066 20 0 FBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)CC1 ZINC000423375333 485080135 /nfs/dbraw/zinc/08/01/35/485080135.db2.gz IQESSXOIMBKDCP-ZIAGYGMSSA-N 2 0 361.446 -0.066 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CCN1C1CC[NH+](C)CC1 ZINC000423375338 485080518 /nfs/dbraw/zinc/08/05/18/485080518.db2.gz IQLRQBULAQMTSO-CABCVRRESA-N 2 0 351.495 -0.437 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CCN1C1CC[NH+](C)CC1 ZINC000423375339 485080029 /nfs/dbraw/zinc/08/00/29/485080029.db2.gz IQLRQBULAQMTSO-GJZGRUSLSA-N 2 0 351.495 -0.437 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CCN1C1CC[NH+](C)CC1 ZINC000423375340 485080246 /nfs/dbraw/zinc/08/02/46/485080246.db2.gz IQLRQBULAQMTSO-HUUCEWRRSA-N 2 0 351.495 -0.437 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CCN1C1CC[NH+](C)CC1 ZINC000423375341 485080806 /nfs/dbraw/zinc/08/08/06/485080806.db2.gz IQLRQBULAQMTSO-LSDHHAIUSA-N 2 0 351.495 -0.437 20 0 FBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000423377826 485079977 /nfs/dbraw/zinc/07/99/77/485079977.db2.gz KMSORAOEIOFYSG-CABCVRRESA-N 2 0 373.457 -0.193 20 0 FBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000423377827 485080044 /nfs/dbraw/zinc/08/00/44/485080044.db2.gz KMSORAOEIOFYSG-GJZGRUSLSA-N 2 0 373.457 -0.193 20 0 FBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000423377828 485080685 /nfs/dbraw/zinc/08/06/85/485080685.db2.gz KMSORAOEIOFYSG-HUUCEWRRSA-N 2 0 373.457 -0.193 20 0 FBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000423377829 485079938 /nfs/dbraw/zinc/07/99/38/485079938.db2.gz KMSORAOEIOFYSG-LSDHHAIUSA-N 2 0 373.457 -0.193 20 0 FBADRP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3OC)CC2)C1 ZINC000423379624 485080447 /nfs/dbraw/zinc/08/04/47/485080447.db2.gz MFMPKZYNRMKUBN-AWEZNQCLSA-N 2 0 361.446 -0.051 20 0 FBADRP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3OC)CC2)C1 ZINC000423379626 485080464 /nfs/dbraw/zinc/08/04/64/485080464.db2.gz MFMPKZYNRMKUBN-CQSZACIVSA-N 2 0 361.446 -0.051 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)C[C@@H](C)[NH2+]1 ZINC000423380674 485080630 /nfs/dbraw/zinc/08/06/30/485080630.db2.gz HJAFEYLCJRKQAJ-KFWWJZLASA-N 2 0 352.479 -0.093 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)C[C@H](C)[NH2+]1 ZINC000423380675 485079892 /nfs/dbraw/zinc/07/98/92/485079892.db2.gz HJAFEYLCJRKQAJ-KKUMJFAQSA-N 2 0 352.479 -0.093 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)C[C@H](C)[NH2+]1 ZINC000423380676 485080531 /nfs/dbraw/zinc/08/05/31/485080531.db2.gz HJAFEYLCJRKQAJ-ZNMIVQPWSA-N 2 0 352.479 -0.093 20 0 FBADRP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)C1 ZINC000423381019 485080939 /nfs/dbraw/zinc/08/09/39/485080939.db2.gz NCDVGCOUAVLPAU-CVEARBPZSA-N 2 0 365.522 -0.176 20 0 FBADRP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)C1 ZINC000423381020 485080427 /nfs/dbraw/zinc/08/04/27/485080427.db2.gz NCDVGCOUAVLPAU-HOTGVXAUSA-N 2 0 365.522 -0.176 20 0 FBADRP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)C1 ZINC000423381021 485080121 /nfs/dbraw/zinc/08/01/21/485080121.db2.gz NCDVGCOUAVLPAU-HZPDHXFCSA-N 2 0 365.522 -0.176 20 0 FBADRP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)C1 ZINC000423381022 485080740 /nfs/dbraw/zinc/08/07/40/485080740.db2.gz NCDVGCOUAVLPAU-JKSUJKDBSA-N 2 0 365.522 -0.176 20 0 FBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000423381601 485080177 /nfs/dbraw/zinc/08/01/77/485080177.db2.gz NUPNZFQHHMJCEB-KBPBESRZSA-N 2 0 361.446 -0.066 20 0 FBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000423381602 485080753 /nfs/dbraw/zinc/08/07/53/485080753.db2.gz NUPNZFQHHMJCEB-KGLIPLIRSA-N 2 0 361.446 -0.066 20 0 FBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000423381603 485080310 /nfs/dbraw/zinc/08/03/10/485080310.db2.gz NUPNZFQHHMJCEB-UONOGXRCSA-N 2 0 361.446 -0.066 20 0 FBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000423381604 485080884 /nfs/dbraw/zinc/08/08/84/485080884.db2.gz NUPNZFQHHMJCEB-ZIAGYGMSSA-N 2 0 361.446 -0.066 20 0 FBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000423385846 485079804 /nfs/dbraw/zinc/07/98/04/485079804.db2.gz REWUSXRTTWDQCF-CABCVRRESA-N 2 0 373.457 -0.051 20 0 FBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000423385847 485080417 /nfs/dbraw/zinc/08/04/17/485080417.db2.gz REWUSXRTTWDQCF-GJZGRUSLSA-N 2 0 373.457 -0.051 20 0 FBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000423385848 485080490 /nfs/dbraw/zinc/08/04/90/485080490.db2.gz REWUSXRTTWDQCF-HUUCEWRRSA-N 2 0 373.457 -0.051 20 0 FBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000423385849 485080947 /nfs/dbraw/zinc/08/09/47/485080947.db2.gz REWUSXRTTWDQCF-LSDHHAIUSA-N 2 0 373.457 -0.051 20 0 FBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CC1 ZINC000423386336 485081010 /nfs/dbraw/zinc/08/10/10/485081010.db2.gz RPMHCEFJODCXJG-UHFFFAOYSA-N 2 0 361.446 -0.051 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CCN1C1CC[NH+](C)CC1 ZINC000423386928 485080073 /nfs/dbraw/zinc/08/00/73/485080073.db2.gz SCZZTIOTIUYJRR-HRCADAONSA-N 2 0 363.506 -0.709 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CCN1C1CC[NH+](C)CC1 ZINC000423386929 485080153 /nfs/dbraw/zinc/08/01/53/485080153.db2.gz SCZZTIOTIUYJRR-OAGGEKHMSA-N 2 0 363.506 -0.709 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C[C@H](C)[NH2+]1 ZINC000423387706 485081730 /nfs/dbraw/zinc/08/17/30/485081730.db2.gz SWPQSJNIJBDXMG-HRCADAONSA-N 2 0 352.479 -0.234 20 0 FBADRP O=C(C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000423389011 485081470 /nfs/dbraw/zinc/08/14/70/485081470.db2.gz UTFAYKMRCZAXPW-ZACQAIPSSA-N 2 0 364.490 -0.090 20 0 FBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2CCC(C[NH3+])CC2)CC1 ZINC000423390490 485081436 /nfs/dbraw/zinc/08/14/36/485081436.db2.gz WDHGIXMGCHZIKK-UHFFFAOYSA-N 2 0 361.446 -0.064 20 0 FBADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)C1 ZINC000423390915 485081652 /nfs/dbraw/zinc/08/16/52/485081652.db2.gz WMMDQBFAEDMZCF-CABCVRRESA-N 2 0 351.495 -0.566 20 0 FBADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)C1 ZINC000423390916 485081748 /nfs/dbraw/zinc/08/17/48/485081748.db2.gz WMMDQBFAEDMZCF-GJZGRUSLSA-N 2 0 351.495 -0.566 20 0 FBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)C1 ZINC000423390917 485082041 /nfs/dbraw/zinc/08/20/41/485082041.db2.gz WMMDQBFAEDMZCF-HUUCEWRRSA-N 2 0 351.495 -0.566 20 0 FBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)C1 ZINC000423390918 485081888 /nfs/dbraw/zinc/08/18/88/485081888.db2.gz WMMDQBFAEDMZCF-LSDHHAIUSA-N 2 0 351.495 -0.566 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)C[C@@H]1[NH3+] ZINC000423390919 485081604 /nfs/dbraw/zinc/08/16/04/485081604.db2.gz WMQBYEFDEXSGTC-FMKPAKJESA-N 2 0 351.495 -0.581 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)C[C@H]1[NH3+] ZINC000423390920 485081391 /nfs/dbraw/zinc/08/13/91/485081391.db2.gz WMQBYEFDEXSGTC-IIAWOOMASA-N 2 0 351.495 -0.581 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)C[C@H]1[NH3+] ZINC000423390921 485082088 /nfs/dbraw/zinc/08/20/88/485082088.db2.gz WMQBYEFDEXSGTC-IJEWVQPXSA-N 2 0 351.495 -0.581 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)C[C@@H]1[NH3+] ZINC000423390922 485082489 /nfs/dbraw/zinc/08/24/89/485082489.db2.gz WMQBYEFDEXSGTC-YCPHGPKFSA-N 2 0 351.495 -0.581 20 0 FBADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000423392619 485081699 /nfs/dbraw/zinc/08/16/99/485081699.db2.gz ONFQGITUXJBKCJ-DLBZAZTESA-N 2 0 365.522 -0.175 20 0 FBADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000423392621 485082282 /nfs/dbraw/zinc/08/22/82/485082282.db2.gz ONFQGITUXJBKCJ-IAGOWNOFSA-N 2 0 365.522 -0.175 20 0 FBADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000423392622 485082321 /nfs/dbraw/zinc/08/23/21/485082321.db2.gz ONFQGITUXJBKCJ-IRXDYDNUSA-N 2 0 365.522 -0.175 20 0 FBADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000423392624 485082308 /nfs/dbraw/zinc/08/23/08/485082308.db2.gz ONFQGITUXJBKCJ-SJORKVTESA-N 2 0 365.522 -0.175 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CCN1C1CC[NH+](C)CC1 ZINC000423392996 485081960 /nfs/dbraw/zinc/08/19/60/485081960.db2.gz XZIJCLRHKWEUJD-HNNXBMFYSA-N 2 0 365.522 -0.176 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CCN1C1CC[NH+](C)CC1 ZINC000423392997 485081759 /nfs/dbraw/zinc/08/17/59/485081759.db2.gz XZIJCLRHKWEUJD-OAHLLOKOSA-N 2 0 365.522 -0.176 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)C[C@@H](C)[NH2+]1 ZINC000423393008 485082257 /nfs/dbraw/zinc/08/22/57/485082257.db2.gz XZTTULNZVXRAQV-BZUAXINKSA-N 2 0 365.522 -0.178 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)C[C@@H](C)[NH2+]1 ZINC000423393010 485081555 /nfs/dbraw/zinc/08/15/55/485081555.db2.gz XZTTULNZVXRAQV-OAGGEKHMSA-N 2 0 365.522 -0.178 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)C[C@H](C)[NH2+]1 ZINC000423393012 485082109 /nfs/dbraw/zinc/08/21/09/485082109.db2.gz XZTTULNZVXRAQV-OWCLPIDISA-N 2 0 365.522 -0.178 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)C[C@H](C)[NH2+]1 ZINC000423393014 485081914 /nfs/dbraw/zinc/08/19/14/485081914.db2.gz XZTTULNZVXRAQV-XHSDSOJGSA-N 2 0 365.522 -0.178 20 0 FBADRP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)C1 ZINC000423393889 485081849 /nfs/dbraw/zinc/08/18/49/485081849.db2.gz RNWWSUCNVPESMX-GJZGRUSLSA-N 2 0 352.479 -0.092 20 0 FBADRP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)C1 ZINC000423393890 485081531 /nfs/dbraw/zinc/08/15/31/485081531.db2.gz RNWWSUCNVPESMX-LSDHHAIUSA-N 2 0 352.479 -0.092 20 0 FBADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000423396068 485082296 /nfs/dbraw/zinc/08/22/96/485082296.db2.gz RGCMPYAFRDUHCM-DLBZAZTESA-N 2 0 365.522 -0.175 20 0 FBADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000423396069 485082222 /nfs/dbraw/zinc/08/22/22/485082222.db2.gz RGCMPYAFRDUHCM-IAGOWNOFSA-N 2 0 365.522 -0.175 20 0 FBADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000423396070 485081639 /nfs/dbraw/zinc/08/16/39/485081639.db2.gz RGCMPYAFRDUHCM-IRXDYDNUSA-N 2 0 365.522 -0.175 20 0 FBADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000423396071 485082335 /nfs/dbraw/zinc/08/23/35/485082335.db2.gz RGCMPYAFRDUHCM-SJORKVTESA-N 2 0 365.522 -0.175 20 0 FBADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000423399204 485078960 /nfs/dbraw/zinc/07/89/60/485078960.db2.gz WCZWSFNFJJALRT-AWEZNQCLSA-N 2 0 352.479 -0.092 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)CC[NH2+]1 ZINC000423419753 485078877 /nfs/dbraw/zinc/07/88/77/485078877.db2.gz APBXUGGQANJISX-HNNXBMFYSA-N 2 0 352.479 -0.090 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)CC[NH2+]1 ZINC000423419755 485079290 /nfs/dbraw/zinc/07/92/90/485079290.db2.gz APBXUGGQANJISX-OAHLLOKOSA-N 2 0 352.479 -0.090 20 0 FBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000423429913 485080789 /nfs/dbraw/zinc/08/07/89/485080789.db2.gz LTWDFLOXKMXQKE-AWEZNQCLSA-N 2 0 355.483 -0.900 20 0 FBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000423429914 485079824 /nfs/dbraw/zinc/07/98/24/485079824.db2.gz LTWDFLOXKMXQKE-CQSZACIVSA-N 2 0 355.483 -0.900 20 0 FBADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000423429955 485080054 /nfs/dbraw/zinc/08/00/54/485080054.db2.gz MASBPCVCNVCHEN-KRWDZBQOSA-N 2 0 365.522 -0.173 20 0 FBADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000423429956 485079986 /nfs/dbraw/zinc/07/99/86/485079986.db2.gz MASBPCVCNVCHEN-QGZVFWFLSA-N 2 0 365.522 -0.173 20 0 FBADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000423431000 485082173 /nfs/dbraw/zinc/08/21/73/485082173.db2.gz NBXNPSIKSYQYQI-KRWDZBQOSA-N 2 0 365.522 -0.173 20 0 FBADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000423431002 485082013 /nfs/dbraw/zinc/08/20/13/485082013.db2.gz NBXNPSIKSYQYQI-QGZVFWFLSA-N 2 0 365.522 -0.173 20 0 FBADRP O=C(C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1)N1CC[NH2+]CC1 ZINC000423432872 485082476 /nfs/dbraw/zinc/08/24/76/485082476.db2.gz BSWCUFHXFMSITR-UHFFFAOYSA-N 2 0 352.479 -0.231 20 0 FBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000423446064 485083559 /nfs/dbraw/zinc/08/35/59/485083559.db2.gz NPNQJIYRYPLZED-CVEARBPZSA-N 2 0 370.494 -0.478 20 0 FBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000423446065 485082902 /nfs/dbraw/zinc/08/29/02/485082902.db2.gz NPNQJIYRYPLZED-HOTGVXAUSA-N 2 0 370.494 -0.478 20 0 FBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000423446066 485083028 /nfs/dbraw/zinc/08/30/28/485083028.db2.gz NPNQJIYRYPLZED-HZPDHXFCSA-N 2 0 370.494 -0.478 20 0 FBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000423446067 485083097 /nfs/dbraw/zinc/08/30/97/485083097.db2.gz NPNQJIYRYPLZED-JKSUJKDBSA-N 2 0 370.494 -0.478 20 0 FBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000423447001 485083738 /nfs/dbraw/zinc/08/37/38/485083738.db2.gz OLXFZAVTLNXEEW-OWCLPIDISA-N 2 0 352.479 -0.377 20 0 FBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000423447002 485082926 /nfs/dbraw/zinc/08/29/26/485082926.db2.gz OLXFZAVTLNXEEW-XHSDSOJGSA-N 2 0 352.479 -0.377 20 0 FBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000423451044 485083091 /nfs/dbraw/zinc/08/30/91/485083091.db2.gz UMLZNRJMJHEADP-CABCVRRESA-N 2 0 356.467 -0.868 20 0 FBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000423451045 485083206 /nfs/dbraw/zinc/08/32/06/485083206.db2.gz UMLZNRJMJHEADP-GJZGRUSLSA-N 2 0 356.467 -0.868 20 0 FBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000423451046 485083574 /nfs/dbraw/zinc/08/35/74/485083574.db2.gz UMLZNRJMJHEADP-HUUCEWRRSA-N 2 0 356.467 -0.868 20 0 FBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000423451047 485083489 /nfs/dbraw/zinc/08/34/89/485083489.db2.gz UMLZNRJMJHEADP-LSDHHAIUSA-N 2 0 356.467 -0.868 20 0 FBADRP [NH3+][C@H]1CCN(C(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)C1 ZINC000423451056 485083302 /nfs/dbraw/zinc/08/33/02/485083302.db2.gz UNLVEHOFQYPYFJ-INIZCTEOSA-N 2 0 352.479 -0.103 20 0 FBADRP [NH3+][C@@H]1CCN(C(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)C1 ZINC000423451057 485082932 /nfs/dbraw/zinc/08/29/32/485082932.db2.gz UNLVEHOFQYPYFJ-MRXNPFEDSA-N 2 0 352.479 -0.103 20 0 FBADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CCO1 ZINC000423476444 485084837 /nfs/dbraw/zinc/08/48/37/485084837.db2.gz LLHDDYVAIPYODR-FGTMMUONSA-N 2 0 372.469 -0.237 20 0 FBADRP [NH3+]C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CCO1 ZINC000423476449 485084987 /nfs/dbraw/zinc/08/49/87/485084987.db2.gz LLHDDYVAIPYODR-KSZLIROESA-N 2 0 372.469 -0.237 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)CC[NH2+]1 ZINC000423477151 485084438 /nfs/dbraw/zinc/08/44/38/485084438.db2.gz JOPJKPJDJNRIRN-PMRDEQMMSA-N 2 0 363.506 -0.424 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)CC[NH2+]1 ZINC000423477152 485084111 /nfs/dbraw/zinc/08/41/11/485084111.db2.gz JOPJKPJDJNRIRN-VPSFDDGASA-N 2 0 363.506 -0.424 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C[C@H]1[NH3+] ZINC000423480167 485084629 /nfs/dbraw/zinc/08/46/29/485084629.db2.gz NBPKODILPRXCOH-CTVHLWBWSA-N 2 0 363.506 -0.439 20 0 FBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000423500207 485085391 /nfs/dbraw/zinc/08/53/91/485085391.db2.gz IJGJRLOZDLOXLJ-AWEZNQCLSA-N 2 0 355.483 -0.902 20 0 FBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000423500222 485085507 /nfs/dbraw/zinc/08/55/07/485085507.db2.gz IJGJRLOZDLOXLJ-CQSZACIVSA-N 2 0 355.483 -0.902 20 0 FBADRP C[NH2+]CCN(C)C(=O)C(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000423503935 484331689 /nfs/dbraw/zinc/33/16/89/484331689.db2.gz FQIRHVJEKFSQGH-UHFFFAOYSA-N 2 0 353.511 -0.319 20 0 FBADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000423507008 485085897 /nfs/dbraw/zinc/08/58/97/485085897.db2.gz JIFMAPNWKQHLEW-HNNXBMFYSA-N 2 0 369.510 -0.510 20 0 FBADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000423507009 485085637 /nfs/dbraw/zinc/08/56/37/485085637.db2.gz JIFMAPNWKQHLEW-OAHLLOKOSA-N 2 0 369.510 -0.510 20 0 FBADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N3CCC[C@H]([NH3+])C3)CC2)CC1 ZINC000423509498 485085455 /nfs/dbraw/zinc/08/54/55/485085455.db2.gz MLRVFDCILNQBLH-INIZCTEOSA-N 2 0 365.522 -0.047 20 0 FBADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N3CC[NH2+]CC3)CC2)CC1 ZINC000423517820 485087009 /nfs/dbraw/zinc/08/70/09/485087009.db2.gz YVUMQJBEWQCGJD-UHFFFAOYSA-N 2 0 351.495 -0.565 20 0 FBADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000423522593 485087790 /nfs/dbraw/zinc/08/77/90/485087790.db2.gz UZHZCYSBBINRCG-INIZCTEOSA-N 2 0 353.511 -0.317 20 0 FBADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000423522595 485087416 /nfs/dbraw/zinc/08/74/16/485087416.db2.gz UZHZCYSBBINRCG-MRXNPFEDSA-N 2 0 353.511 -0.317 20 0 FBADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000423526701 485087725 /nfs/dbraw/zinc/08/77/25/485087725.db2.gz ZWSKATYMLCWVNV-INIZCTEOSA-N 2 0 353.511 -0.317 20 0 FBADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000423526703 485086654 /nfs/dbraw/zinc/08/66/54/485086654.db2.gz ZWSKATYMLCWVNV-MRXNPFEDSA-N 2 0 353.511 -0.317 20 0 FBADRP COC(=O)CCN1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)[C@@H](C)C1 ZINC000423536412 485085676 /nfs/dbraw/zinc/08/56/76/485085676.db2.gz HVBKUQKDIMWVHB-KKUMJFAQSA-N 2 0 366.462 -0.707 20 0 FBADRP COC(=O)CCN1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)[C@@H](C)C1 ZINC000423536413 485086173 /nfs/dbraw/zinc/08/61/73/485086173.db2.gz HVBKUQKDIMWVHB-ZNMIVQPWSA-N 2 0 366.462 -0.707 20 0 FBADRP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CC[NH2+]CC1 ZINC000423557073 485092590 /nfs/dbraw/zinc/09/25/90/485092590.db2.gz BZHIJUGNQDEVRH-IBGZPJMESA-N 2 0 360.458 -0.486 20 0 FBADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CC[NH2+]CC1 ZINC000423557080 485092814 /nfs/dbraw/zinc/09/28/14/485092814.db2.gz BZHIJUGNQDEVRH-LJQANCHMSA-N 2 0 360.458 -0.486 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C[C@H]1[NH3+] ZINC000423558265 485093088 /nfs/dbraw/zinc/09/30/88/485093088.db2.gz CTGMFHKDOMHCSZ-MDYRTPRTSA-N 2 0 374.485 -0.113 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C[C@@H]1[NH3+] ZINC000423558268 485092829 /nfs/dbraw/zinc/09/28/29/485092829.db2.gz CTGMFHKDOMHCSZ-OXFYSEKESA-N 2 0 374.485 -0.113 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C[C@@H]1[NH3+] ZINC000423558269 485092903 /nfs/dbraw/zinc/09/29/03/485092903.db2.gz CTGMFHKDOMHCSZ-SYNHAJSKSA-N 2 0 374.485 -0.113 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C[C@H]1[NH3+] ZINC000423558270 485092870 /nfs/dbraw/zinc/09/28/70/485092870.db2.gz CTGMFHKDOMHCSZ-WRWLIDTKSA-N 2 0 374.485 -0.113 20 0 FBADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000423558883 485091995 /nfs/dbraw/zinc/09/19/95/485091995.db2.gz DKJQLRCVTIAPIU-FXAWDEMLSA-N 2 0 374.485 -0.098 20 0 FBADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000423558890 485094291 /nfs/dbraw/zinc/09/42/91/485094291.db2.gz DKJQLRCVTIAPIU-PXNSSMCTSA-N 2 0 374.485 -0.098 20 0 FBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000423558892 485093779 /nfs/dbraw/zinc/09/37/79/485093779.db2.gz DKJQLRCVTIAPIU-XLIONFOSSA-N 2 0 374.485 -0.098 20 0 FBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000423558894 485094219 /nfs/dbraw/zinc/09/42/19/485094219.db2.gz DKJQLRCVTIAPIU-YLJYHZDGSA-N 2 0 374.485 -0.098 20 0 FBADRP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000423566227 485095166 /nfs/dbraw/zinc/09/51/66/485095166.db2.gz JVQPHGDRMNLQFP-APWZRJJASA-N 2 0 360.458 -0.359 20 0 FBADRP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000423566228 485095379 /nfs/dbraw/zinc/09/53/79/485095379.db2.gz JVQPHGDRMNLQFP-LPHOPBHVSA-N 2 0 360.458 -0.359 20 0 FBADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000423566229 485095041 /nfs/dbraw/zinc/09/50/41/485095041.db2.gz JVQPHGDRMNLQFP-QFBILLFUSA-N 2 0 360.458 -0.359 20 0 FBADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000423566230 485095510 /nfs/dbraw/zinc/09/55/10/485095510.db2.gz JVQPHGDRMNLQFP-VQIMIIECSA-N 2 0 360.458 -0.359 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000423574603 485096346 /nfs/dbraw/zinc/09/63/46/485096346.db2.gz UAMVENDCQZCIQV-JXFKEZNVSA-N 2 0 374.485 -0.098 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000423574604 485096961 /nfs/dbraw/zinc/09/69/61/485096961.db2.gz UAMVENDCQZCIQV-OXJNMPFZSA-N 2 0 374.485 -0.098 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000423574605 485096785 /nfs/dbraw/zinc/09/67/85/485096785.db2.gz UAMVENDCQZCIQV-OXQOHEQNSA-N 2 0 374.485 -0.098 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000423574606 485096873 /nfs/dbraw/zinc/09/68/73/485096873.db2.gz UAMVENDCQZCIQV-UZLBHIALSA-N 2 0 374.485 -0.098 20 0 FBADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000423577985 485097764 /nfs/dbraw/zinc/09/77/64/485097764.db2.gz JNTIZJOHMPGRHH-HNNXBMFYSA-N 2 0 351.495 -0.565 20 0 FBADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000423577986 485097590 /nfs/dbraw/zinc/09/75/90/485097590.db2.gz JNTIZJOHMPGRHH-OAHLLOKOSA-N 2 0 351.495 -0.565 20 0 FBADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000423578151 485097724 /nfs/dbraw/zinc/09/77/24/485097724.db2.gz KLENHRZDZZEFEM-AWEZNQCLSA-N 2 0 367.494 -0.757 20 0 FBADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000423578152 485097521 /nfs/dbraw/zinc/09/75/21/485097521.db2.gz KLENHRZDZZEFEM-CQSZACIVSA-N 2 0 367.494 -0.757 20 0 FBADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000423579327 485097646 /nfs/dbraw/zinc/09/76/46/485097646.db2.gz OBMTVZJRXGRVDC-HNNXBMFYSA-N 2 0 351.495 -0.565 20 0 FBADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000423579328 485097905 /nfs/dbraw/zinc/09/79/05/485097905.db2.gz OBMTVZJRXGRVDC-OAHLLOKOSA-N 2 0 351.495 -0.565 20 0 FBADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423584106 485099176 /nfs/dbraw/zinc/09/91/76/485099176.db2.gz BOHUJIMSICGESP-AWEZNQCLSA-N 2 0 354.476 -0.176 20 0 FBADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423584107 485098382 /nfs/dbraw/zinc/09/83/82/485098382.db2.gz BOHUJIMSICGESP-CQSZACIVSA-N 2 0 354.476 -0.176 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC[C@H]2C[NH2+]C)CC1 ZINC000423589770 485098320 /nfs/dbraw/zinc/09/83/20/485098320.db2.gz HOAJBAQQDLTYLO-HNNXBMFYSA-N 2 0 367.494 -0.791 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH2+]C)CC1 ZINC000423589771 485098781 /nfs/dbraw/zinc/09/87/81/485098781.db2.gz HOAJBAQQDLTYLO-OAHLLOKOSA-N 2 0 367.494 -0.791 20 0 FBADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000423590367 485099112 /nfs/dbraw/zinc/09/91/12/485099112.db2.gz IHGYJBMHBFHKOV-DOTOQJQBSA-N 2 0 365.522 -0.176 20 0 FBADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000423590369 485099103 /nfs/dbraw/zinc/09/91/03/485099103.db2.gz IHGYJBMHBFHKOV-NVXWUHKLSA-N 2 0 365.522 -0.176 20 0 FBADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000423590371 485099059 /nfs/dbraw/zinc/09/90/59/485099059.db2.gz IHGYJBMHBFHKOV-RDJZCZTQSA-N 2 0 365.522 -0.176 20 0 FBADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000423590373 485098369 /nfs/dbraw/zinc/09/83/69/485098369.db2.gz IHGYJBMHBFHKOV-WBVHZDCISA-N 2 0 365.522 -0.176 20 0 FBADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000423590832 485098949 /nfs/dbraw/zinc/09/89/49/485098949.db2.gz IQFXCHZQAPSKCR-AWEZNQCLSA-N 2 0 361.446 -0.051 20 0 FBADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000423590835 485098767 /nfs/dbraw/zinc/09/87/67/485098767.db2.gz IQFXCHZQAPSKCR-CQSZACIVSA-N 2 0 361.446 -0.051 20 0 FBADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000423591612 485099091 /nfs/dbraw/zinc/09/90/91/485099091.db2.gz JOTZJXBHTFBJCM-INIZCTEOSA-N 2 0 352.479 -0.232 20 0 FBADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000423591614 485100180 /nfs/dbraw/zinc/10/01/80/485100180.db2.gz JOTZJXBHTFBJCM-MRXNPFEDSA-N 2 0 352.479 -0.232 20 0 FBADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000423596110 485099721 /nfs/dbraw/zinc/09/97/21/485099721.db2.gz QYWBPCUWXLXZHJ-CVEARBPZSA-N 2 0 352.479 -0.232 20 0 FBADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000423596111 485099982 /nfs/dbraw/zinc/09/99/82/485099982.db2.gz QYWBPCUWXLXZHJ-HOTGVXAUSA-N 2 0 352.479 -0.232 20 0 FBADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000423596112 485099689 /nfs/dbraw/zinc/09/96/89/485099689.db2.gz QYWBPCUWXLXZHJ-HZPDHXFCSA-N 2 0 352.479 -0.232 20 0 FBADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000423596113 485100455 /nfs/dbraw/zinc/10/04/55/485100455.db2.gz QYWBPCUWXLXZHJ-JKSUJKDBSA-N 2 0 352.479 -0.232 20 0 FBADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000423597797 485099878 /nfs/dbraw/zinc/09/98/78/485099878.db2.gz UWVGOPKOVZRMQW-AWEZNQCLSA-N 2 0 361.446 -0.051 20 0 FBADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000423597798 485099999 /nfs/dbraw/zinc/09/99/99/485099999.db2.gz UWVGOPKOVZRMQW-CQSZACIVSA-N 2 0 361.446 -0.051 20 0 FBADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000423598689 485099575 /nfs/dbraw/zinc/09/95/75/485099575.db2.gz WQHVVCYPZWWOLF-DLBZAZTESA-N 2 0 365.522 -0.175 20 0 FBADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000423598690 485099956 /nfs/dbraw/zinc/09/99/56/485099956.db2.gz WQHVVCYPZWWOLF-IAGOWNOFSA-N 2 0 365.522 -0.175 20 0 FBADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000423598691 485100198 /nfs/dbraw/zinc/10/01/98/485100198.db2.gz WQHVVCYPZWWOLF-IRXDYDNUSA-N 2 0 365.522 -0.175 20 0 FBADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000423598692 485100097 /nfs/dbraw/zinc/10/00/97/485100097.db2.gz WQHVVCYPZWWOLF-SJORKVTESA-N 2 0 365.522 -0.175 20 0 FBADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000423599177 485101382 /nfs/dbraw/zinc/10/13/82/485101382.db2.gz WYDITMSBLWGKMO-CABCVRRESA-N 2 0 367.494 -0.759 20 0 FBADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000423599178 485100985 /nfs/dbraw/zinc/10/09/85/485100985.db2.gz WYDITMSBLWGKMO-GJZGRUSLSA-N 2 0 367.494 -0.759 20 0 FBADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000423599179 485101192 /nfs/dbraw/zinc/10/11/92/485101192.db2.gz WYDITMSBLWGKMO-HUUCEWRRSA-N 2 0 367.494 -0.759 20 0 FBADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000423599180 485101300 /nfs/dbraw/zinc/10/13/00/485101300.db2.gz WYDITMSBLWGKMO-LSDHHAIUSA-N 2 0 367.494 -0.759 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)N2CCC[NH2+]CC2)CCN1C1CC[NH+](C)CC1 ZINC000423600038 485101489 /nfs/dbraw/zinc/10/14/89/485101489.db2.gz AEGGYSVJHILTIB-HNNXBMFYSA-N 2 0 351.495 -0.565 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[NH2+]CC2)CCN1C1CC[NH+](C)CC1 ZINC000423600040 485101410 /nfs/dbraw/zinc/10/14/10/485101410.db2.gz AEGGYSVJHILTIB-OAHLLOKOSA-N 2 0 351.495 -0.565 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C[C@H](C)[NH2+]1 ZINC000423601702 485101397 /nfs/dbraw/zinc/10/13/97/485101397.db2.gz SWPQSJNIJBDXMG-JYJNAYRXSA-N 2 0 352.479 -0.234 20 0 FBADRP COCC[NH+](CCOC)C1CCN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2C)CC1 ZINC000423602071 485101419 /nfs/dbraw/zinc/10/14/19/485101419.db2.gz FOLZSYABWIEWMF-HNNXBMFYSA-N 2 0 370.494 -0.608 20 0 FBADRP COCC[NH+](CCOC)C1CCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2C)CC1 ZINC000423602077 485101619 /nfs/dbraw/zinc/10/16/19/485101619.db2.gz FOLZSYABWIEWMF-OAHLLOKOSA-N 2 0 370.494 -0.608 20 0 FBADRP O=C(C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000423604050 485100973 /nfs/dbraw/zinc/10/09/73/485100973.db2.gz UTFAYKMRCZAXPW-YESZJQIVSA-N 2 0 364.490 -0.090 20 0 FBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000423605553 485102281 /nfs/dbraw/zinc/10/22/81/485102281.db2.gz KADYHPIHRQWRQN-CVEARBPZSA-N 2 0 351.495 -0.565 20 0 FBADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000423605554 485102880 /nfs/dbraw/zinc/10/28/80/485102880.db2.gz KADYHPIHRQWRQN-HOTGVXAUSA-N 2 0 351.495 -0.565 20 0 FBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000423605556 485102373 /nfs/dbraw/zinc/10/23/73/485102373.db2.gz KADYHPIHRQWRQN-HZPDHXFCSA-N 2 0 351.495 -0.565 20 0 FBADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000423605558 485103143 /nfs/dbraw/zinc/10/31/43/485103143.db2.gz KADYHPIHRQWRQN-JKSUJKDBSA-N 2 0 351.495 -0.565 20 0 FBADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000423607506 485103293 /nfs/dbraw/zinc/10/32/93/485103293.db2.gz MUYQZJOUQDNDAQ-HNNXBMFYSA-N 2 0 352.479 -0.090 20 0 FBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000423607508 485102465 /nfs/dbraw/zinc/10/24/65/485102465.db2.gz MUYQZJOUQDNDAQ-OAHLLOKOSA-N 2 0 352.479 -0.090 20 0 FBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000423607516 485103195 /nfs/dbraw/zinc/10/31/95/485103195.db2.gz MVOMYSIZQKUGLV-CABCVRRESA-N 2 0 351.495 -0.566 20 0 FBADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000423607519 485102402 /nfs/dbraw/zinc/10/24/02/485102402.db2.gz MVOMYSIZQKUGLV-GJZGRUSLSA-N 2 0 351.495 -0.566 20 0 FBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000423607521 485102357 /nfs/dbraw/zinc/10/23/57/485102357.db2.gz MVOMYSIZQKUGLV-HUUCEWRRSA-N 2 0 351.495 -0.566 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2C)CCN1C1CC[NH+](C)CC1 ZINC000423607523 485102752 /nfs/dbraw/zinc/10/27/52/485102752.db2.gz MVOMYSIZQKUGLV-LSDHHAIUSA-N 2 0 351.495 -0.566 20 0 FBADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000423609952 485102666 /nfs/dbraw/zinc/10/26/66/485102666.db2.gz QERGTPMQNTWHGM-JXFKEZNVSA-N 2 0 374.485 -0.098 20 0 FBADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000423609953 485102897 /nfs/dbraw/zinc/10/28/97/485102897.db2.gz QERGTPMQNTWHGM-OXJNMPFZSA-N 2 0 374.485 -0.098 20 0 FBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000423609954 485102736 /nfs/dbraw/zinc/10/27/36/485102736.db2.gz QERGTPMQNTWHGM-OXQOHEQNSA-N 2 0 374.485 -0.098 20 0 FBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000423609955 485102565 /nfs/dbraw/zinc/10/25/65/485102565.db2.gz QERGTPMQNTWHGM-UZLBHIALSA-N 2 0 374.485 -0.098 20 0 FBADRP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCC[NH2+]CC1 ZINC000423612985 485104773 /nfs/dbraw/zinc/10/47/73/485104773.db2.gz QKKFAFJVCBJGKG-FQEVSTJZSA-N 2 0 374.485 -0.096 20 0 FBADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCC[NH2+]CC1 ZINC000423612986 485103897 /nfs/dbraw/zinc/10/38/97/485103897.db2.gz QKKFAFJVCBJGKG-HXUWFJFHSA-N 2 0 374.485 -0.096 20 0 FBADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000423614405 485103733 /nfs/dbraw/zinc/10/37/33/485103733.db2.gz XAILEGFETLIDJC-PMRDEQMMSA-N 2 0 363.506 -0.424 20 0 FBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000423614406 485104343 /nfs/dbraw/zinc/10/43/43/485104343.db2.gz XAILEGFETLIDJC-VPSFDDGASA-N 2 0 363.506 -0.424 20 0 FBADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000423618233 485104678 /nfs/dbraw/zinc/10/46/78/485104678.db2.gz UFQCBKSJYIBRLS-INIZCTEOSA-N 2 0 352.479 -0.232 20 0 FBADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000423618234 485103848 /nfs/dbraw/zinc/10/38/48/485103848.db2.gz UFQCBKSJYIBRLS-MRXNPFEDSA-N 2 0 352.479 -0.232 20 0 FBADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N2CCC[NH2+]CC2)CC1 ZINC000423619010 485106188 /nfs/dbraw/zinc/10/61/88/485106188.db2.gz ZTGGCCOZTBRJJZ-INIZCTEOSA-N 2 0 351.495 -0.563 20 0 FBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N2CCC[NH2+]CC2)CC1 ZINC000423619013 485105228 /nfs/dbraw/zinc/10/52/28/485105228.db2.gz ZTGGCCOZTBRJJZ-MRXNPFEDSA-N 2 0 351.495 -0.563 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CCCC[C@H]2C[NH3+])CC1 ZINC000423620091 485105475 /nfs/dbraw/zinc/10/54/75/485105475.db2.gz JCYSTLIKIQRNSV-HNNXBMFYSA-N 2 0 367.494 -0.661 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CC1 ZINC000423620095 485105883 /nfs/dbraw/zinc/10/58/83/485105883.db2.gz JCYSTLIKIQRNSV-OAHLLOKOSA-N 2 0 367.494 -0.661 20 0 FBADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000423620139 485105580 /nfs/dbraw/zinc/10/55/80/485105580.db2.gz WBSCSMWZOVPNMT-INIZCTEOSA-N 2 0 353.511 -0.319 20 0 FBADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000423620143 485105143 /nfs/dbraw/zinc/10/51/43/485105143.db2.gz WBSCSMWZOVPNMT-MRXNPFEDSA-N 2 0 353.511 -0.319 20 0 FBADRP CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000423621821 485106018 /nfs/dbraw/zinc/10/60/18/485106018.db2.gz YJNGPPRZCGGEMI-GOSISDBHSA-N 2 0 373.501 -0.178 20 0 FBADRP CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)C(=O)N1CC[NH2+]CC1 ZINC000423623573 485105539 /nfs/dbraw/zinc/10/55/39/485105539.db2.gz OLAWZFIKCNCPQI-UHFFFAOYSA-N 2 0 373.501 -0.306 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)[C@@H](C)C[NH2+]1 ZINC000423625304 485107307 /nfs/dbraw/zinc/10/73/07/485107307.db2.gz CUFWFRBHRPYYLJ-JYJNAYRXSA-N 2 0 352.479 -0.234 20 0 FBADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000423625306 485106960 /nfs/dbraw/zinc/10/69/60/485106960.db2.gz CUFWFRBHRPYYLJ-XHSDSOJGSA-N 2 0 352.479 -0.234 20 0 FBADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000423626866 485107372 /nfs/dbraw/zinc/10/73/72/485107372.db2.gz SXYTVWUSVJJAHR-INIZCTEOSA-N 2 0 353.511 -0.189 20 0 FBADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000423626868 485106785 /nfs/dbraw/zinc/10/67/85/485106785.db2.gz SXYTVWUSVJJAHR-MRXNPFEDSA-N 2 0 353.511 -0.189 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CCN1C1CC[NH+](C)CC1 ZINC000423626869 485107630 /nfs/dbraw/zinc/10/76/30/485107630.db2.gz SYGXJWDQXMTDMY-DOTOQJQBSA-N 2 0 365.522 -0.047 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CCN1C1CC[NH+](C)CC1 ZINC000423626871 485106670 /nfs/dbraw/zinc/10/66/70/485106670.db2.gz SYGXJWDQXMTDMY-NVXWUHKLSA-N 2 0 365.522 -0.047 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)N2CCCC[C@H]2C[NH3+])CCN1C1CC[NH+](C)CC1 ZINC000423626872 485107267 /nfs/dbraw/zinc/10/72/67/485107267.db2.gz SYGXJWDQXMTDMY-RDJZCZTQSA-N 2 0 365.522 -0.047 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@H]2C[NH3+])CCN1C1CC[NH+](C)CC1 ZINC000423626873 485107343 /nfs/dbraw/zinc/10/73/43/485107343.db2.gz SYGXJWDQXMTDMY-WBVHZDCISA-N 2 0 365.522 -0.047 20 0 FBADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000423628308 485107205 /nfs/dbraw/zinc/10/72/05/485107205.db2.gz AKJQNGNTRIQTPW-BBWFWOEESA-N 2 0 367.538 -0.086 20 0 FBADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000423628313 485107274 /nfs/dbraw/zinc/10/72/74/485107274.db2.gz AKJQNGNTRIQTPW-GVDBMIGSSA-N 2 0 367.538 -0.086 20 0 FBADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000423628315 485106984 /nfs/dbraw/zinc/10/69/84/485106984.db2.gz AKJQNGNTRIQTPW-ULQDDVLXSA-N 2 0 367.538 -0.086 20 0 FBADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000423628318 485107087 /nfs/dbraw/zinc/10/70/87/485107087.db2.gz AKJQNGNTRIQTPW-YESZJQIVSA-N 2 0 367.538 -0.086 20 0 FBADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000423628960 485107041 /nfs/dbraw/zinc/10/70/41/485107041.db2.gz BKBOUSYQYMERKF-UHFFFAOYSA-N 2 0 367.538 -0.070 20 0 FBADRP [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000423629879 485106750 /nfs/dbraw/zinc/10/67/50/485106750.db2.gz XTZVZOCPIUHIPI-CVEARBPZSA-N 2 0 352.479 -0.103 20 0 FBADRP [NH3+]C[C@H]1CCCCN1C(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000423629880 485107177 /nfs/dbraw/zinc/10/71/77/485107177.db2.gz XTZVZOCPIUHIPI-HZPDHXFCSA-N 2 0 352.479 -0.103 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)CC1 ZINC000423631493 485108865 /nfs/dbraw/zinc/10/88/65/485108865.db2.gz MLCKROITDLIKDP-CABCVRRESA-N 2 0 367.494 -0.792 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)CC1 ZINC000423631495 485107976 /nfs/dbraw/zinc/10/79/76/485107976.db2.gz MLCKROITDLIKDP-GJZGRUSLSA-N 2 0 367.494 -0.792 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)CC1 ZINC000423631496 485109169 /nfs/dbraw/zinc/10/91/69/485109169.db2.gz MLCKROITDLIKDP-HUUCEWRRSA-N 2 0 367.494 -0.792 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)CC1 ZINC000423631497 485108485 /nfs/dbraw/zinc/10/84/85/485108485.db2.gz MLCKROITDLIKDP-LSDHHAIUSA-N 2 0 367.494 -0.792 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)[C@@H](C)C[NH2+]1 ZINC000423633950 485108587 /nfs/dbraw/zinc/10/85/87/485108587.db2.gz PTLMJANKHDLQFX-CABCVRRESA-N 2 0 353.511 -0.320 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)[C@@H](C)C[NH2+]1 ZINC000423633951 485109311 /nfs/dbraw/zinc/10/93/11/485109311.db2.gz PTLMJANKHDLQFX-GJZGRUSLSA-N 2 0 353.511 -0.320 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)[C@H](C)C[NH2+]1 ZINC000423633952 485108897 /nfs/dbraw/zinc/10/88/97/485108897.db2.gz PTLMJANKHDLQFX-HUUCEWRRSA-N 2 0 353.511 -0.320 20 0 FBADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000423633953 485108153 /nfs/dbraw/zinc/10/81/53/485108153.db2.gz PTLMJANKHDLQFX-LSDHHAIUSA-N 2 0 353.511 -0.320 20 0 FBADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000423635523 485108343 /nfs/dbraw/zinc/10/83/43/485108343.db2.gz OZAHNVRNXFGWRJ-GOSISDBHSA-N 2 0 353.511 -0.460 20 0 FBADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000423635526 485108552 /nfs/dbraw/zinc/10/85/52/485108552.db2.gz OZAHNVRNXFGWRJ-SFHVURJKSA-N 2 0 353.511 -0.460 20 0 FBADRP [NH3+]C[C@H]1CCCN1C(=O)C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000423639774 485110187 /nfs/dbraw/zinc/11/01/87/485110187.db2.gz FTZXWJAYTAMRBO-MRXNPFEDSA-N 2 0 352.479 -0.103 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])CCN1C1CC[NH+](C)CC1 ZINC000423642627 485109987 /nfs/dbraw/zinc/10/99/87/485109987.db2.gz IGUILXSUEFQDNZ-GDBMZVCRSA-N 2 0 351.495 -0.437 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])CCN1C1CC[NH+](C)CC1 ZINC000423642631 485110042 /nfs/dbraw/zinc/11/00/42/485110042.db2.gz IGUILXSUEFQDNZ-GOEBONIOSA-N 2 0 351.495 -0.437 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)N2CCC[C@H]2C[NH3+])CCN1C1CC[NH+](C)CC1 ZINC000423642635 485110532 /nfs/dbraw/zinc/11/05/32/485110532.db2.gz IGUILXSUEFQDNZ-HOCLYGCPSA-N 2 0 351.495 -0.437 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2C[NH3+])CCN1C1CC[NH+](C)CC1 ZINC000423642638 485110253 /nfs/dbraw/zinc/11/02/53/485110253.db2.gz IGUILXSUEFQDNZ-ZBFHGGJFSA-N 2 0 351.495 -0.437 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)[C@@H](C)C[NH2+]1 ZINC000423644714 485109878 /nfs/dbraw/zinc/10/98/78/485109878.db2.gz YFWBWTVAVRHMQX-ILXRZTDVSA-N 2 0 352.479 -0.093 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)[C@H](C)C[NH2+]1 ZINC000423644721 485110266 /nfs/dbraw/zinc/11/02/66/485110266.db2.gz YFWBWTVAVRHMQX-KFWWJZLASA-N 2 0 352.479 -0.093 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)[C@@H](C)C[NH2+]1 ZINC000423644729 485110195 /nfs/dbraw/zinc/11/01/95/485110195.db2.gz YFWBWTVAVRHMQX-QLFBSQMISA-N 2 0 352.479 -0.093 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)[C@H](C)C[NH2+]1 ZINC000423644734 485110640 /nfs/dbraw/zinc/11/06/40/485110640.db2.gz YFWBWTVAVRHMQX-RBSFLKMASA-N 2 0 352.479 -0.093 20 0 FBADRP CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000423645028 485110695 /nfs/dbraw/zinc/11/06/95/485110695.db2.gz YJNGPPRZCGGEMI-SFHVURJKSA-N 2 0 373.501 -0.178 20 0 FBADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2C)CC1 ZINC000423647590 485111196 /nfs/dbraw/zinc/11/11/96/485111196.db2.gz XYEPZCRVRZSWIQ-ULQDDVLXSA-N 2 0 365.522 -0.176 20 0 FBADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2C)CC1 ZINC000423647591 485111616 /nfs/dbraw/zinc/11/16/16/485111616.db2.gz XYEPZCRVRZSWIQ-ZACQAIPSSA-N 2 0 365.522 -0.176 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2C[C@H](C[NH3+])C[C@H]2C)CC1 ZINC000423648833 485111288 /nfs/dbraw/zinc/11/12/88/485111288.db2.gz JBKVYWSTGMMLIP-CABCVRRESA-N 2 0 367.494 -0.805 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)CC1 ZINC000423648835 485111945 /nfs/dbraw/zinc/11/19/45/485111945.db2.gz JBKVYWSTGMMLIP-GJZGRUSLSA-N 2 0 367.494 -0.805 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)CC1 ZINC000423648838 485112082 /nfs/dbraw/zinc/11/20/82/485112082.db2.gz JBKVYWSTGMMLIP-HUUCEWRRSA-N 2 0 367.494 -0.805 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)CC1 ZINC000423648841 485111798 /nfs/dbraw/zinc/11/17/98/485111798.db2.gz JBKVYWSTGMMLIP-LSDHHAIUSA-N 2 0 367.494 -0.805 20 0 FBADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC000423649537 485111236 /nfs/dbraw/zinc/11/12/36/485111236.db2.gz POTJPLNUGRPQTL-BRWVUGGUSA-N 2 0 365.522 -0.047 20 0 FBADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC000423649538 485111104 /nfs/dbraw/zinc/11/11/04/485111104.db2.gz POTJPLNUGRPQTL-IXDOHACOSA-N 2 0 365.522 -0.047 20 0 FBADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000423657328 485112855 /nfs/dbraw/zinc/11/28/55/485112855.db2.gz VUQLVDOSDQZHOS-BZUAXINKSA-N 2 0 365.522 -0.191 20 0 FBADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000423657330 485112655 /nfs/dbraw/zinc/11/26/55/485112655.db2.gz VUQLVDOSDQZHOS-OAGGEKHMSA-N 2 0 365.522 -0.191 20 0 FBADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000423657333 485112586 /nfs/dbraw/zinc/11/25/86/485112586.db2.gz VUQLVDOSDQZHOS-OWCLPIDISA-N 2 0 365.522 -0.191 20 0 FBADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000423657335 485113401 /nfs/dbraw/zinc/11/34/01/485113401.db2.gz VUQLVDOSDQZHOS-PMPSAXMXSA-N 2 0 365.522 -0.191 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3C[C@H](C[NH3+])C[C@@H]3C)CC2)c1 ZINC000423658807 485114057 /nfs/dbraw/zinc/11/40/57/485114057.db2.gz YBRZOZGTRNBINS-KBPBESRZSA-N 2 0 361.446 -0.066 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3C[C@H](C[NH3+])C[C@H]3C)CC2)c1 ZINC000423658808 485114416 /nfs/dbraw/zinc/11/44/16/485114416.db2.gz YBRZOZGTRNBINS-KGLIPLIRSA-N 2 0 361.446 -0.066 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3C[C@@H](C[NH3+])C[C@@H]3C)CC2)c1 ZINC000423658809 485113922 /nfs/dbraw/zinc/11/39/22/485113922.db2.gz YBRZOZGTRNBINS-UONOGXRCSA-N 2 0 361.446 -0.066 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3C[C@@H](C[NH3+])C[C@H]3C)CC2)c1 ZINC000423658810 485113847 /nfs/dbraw/zinc/11/38/47/485113847.db2.gz YBRZOZGTRNBINS-ZIAGYGMSSA-N 2 0 361.446 -0.066 20 0 FBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)CC1 ZINC000423659203 485114039 /nfs/dbraw/zinc/11/40/39/485114039.db2.gz YZQSYGSIPUXRCB-KBPBESRZSA-N 2 0 361.446 -0.066 20 0 FBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2C[C@H](C[NH3+])C[C@H]2C)CC1 ZINC000423659205 485114160 /nfs/dbraw/zinc/11/41/60/485114160.db2.gz YZQSYGSIPUXRCB-KGLIPLIRSA-N 2 0 361.446 -0.066 20 0 FBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)CC1 ZINC000423659207 485114494 /nfs/dbraw/zinc/11/44/94/485114494.db2.gz YZQSYGSIPUXRCB-UONOGXRCSA-N 2 0 361.446 -0.066 20 0 FBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)CC1 ZINC000423659209 485114448 /nfs/dbraw/zinc/11/44/48/485114448.db2.gz YZQSYGSIPUXRCB-ZIAGYGMSSA-N 2 0 361.446 -0.066 20 0 FBADRP COCCN1CCN(C(=O)C(=O)N2CCNC[C@H]2c2cccnc2)CC1 ZINC000423659325 485113767 /nfs/dbraw/zinc/11/37/67/485113767.db2.gz DVIPPUVKGWVCFG-INIZCTEOSA-N 2 0 361.446 -0.655 20 0 FBADRP COCCN1CCN(C(=O)C(=O)N2CCNC[C@@H]2c2cccnc2)CC1 ZINC000423659326 485114048 /nfs/dbraw/zinc/11/40/48/485114048.db2.gz DVIPPUVKGWVCFG-MRXNPFEDSA-N 2 0 361.446 -0.655 20 0 FBADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)CC1 ZINC000423661976 485114263 /nfs/dbraw/zinc/11/42/63/485114263.db2.gz BCRASZSUXIRXLP-HOTGVXAUSA-N 2 0 370.494 -0.873 20 0 FBADRP COCC[NH+](CCOC)C1CCN(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)CC1 ZINC000423671769 485117212 /nfs/dbraw/zinc/11/72/12/485117212.db2.gz CTSBKOREIXCDFP-HNNXBMFYSA-N 2 0 370.494 -0.608 20 0 FBADRP COCC[NH+](CCOC)C1CCN(C(=O)C(=O)N2CC[NH2+][C@H](C)C2)CC1 ZINC000423671772 485117358 /nfs/dbraw/zinc/11/73/58/485117358.db2.gz CTSBKOREIXCDFP-OAHLLOKOSA-N 2 0 370.494 -0.608 20 0 FBADRP COCCN1CCN(C(=O)C(=O)N2CC[C@H](OC)C[C@H]2C[NH3+])C[C@H]1C ZINC000423680723 485118280 /nfs/dbraw/zinc/11/82/80/485118280.db2.gz UTLJRDKIWIMBLA-ILXRZTDVSA-N 2 0 356.467 -0.870 20 0 FBADRP COCCN1CCN(C(=O)C(=O)N2CC[C@H](OC)C[C@@H]2C[NH3+])C[C@H]1C ZINC000423680727 485118487 /nfs/dbraw/zinc/11/84/87/485118487.db2.gz UTLJRDKIWIMBLA-KFWWJZLASA-N 2 0 356.467 -0.870 20 0 FBADRP COCCN1CCN(C(=O)C(=O)N2CC[C@H](OC)C[C@H]2C[NH3+])C[C@@H]1C ZINC000423680729 485117912 /nfs/dbraw/zinc/11/79/12/485117912.db2.gz UTLJRDKIWIMBLA-KKUMJFAQSA-N 2 0 356.467 -0.870 20 0 FBADRP COCCN1CCN(C(=O)C(=O)N2CC[C@H](OC)C[C@@H]2C[NH3+])C[C@@H]1C ZINC000423680731 485118588 /nfs/dbraw/zinc/11/85/88/485118588.db2.gz UTLJRDKIWIMBLA-ZNMIVQPWSA-N 2 0 356.467 -0.870 20 0 FBADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000423684151 485118250 /nfs/dbraw/zinc/11/82/50/485118250.db2.gz QXJQEOJXYFRPQR-INIZCTEOSA-N 2 0 355.527 -0.084 20 0 FBADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000423684154 485118337 /nfs/dbraw/zinc/11/83/37/485118337.db2.gz QXJQEOJXYFRPQR-MRXNPFEDSA-N 2 0 355.527 -0.084 20 0 FBADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000423684572 485118452 /nfs/dbraw/zinc/11/84/52/485118452.db2.gz UTPOXBLGKKTCHU-CABCVRRESA-N 2 0 367.494 -0.615 20 0 FBADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000423684573 485118238 /nfs/dbraw/zinc/11/82/38/485118238.db2.gz UTPOXBLGKKTCHU-GJZGRUSLSA-N 2 0 367.494 -0.615 20 0 FBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000423684574 485118697 /nfs/dbraw/zinc/11/86/97/485118697.db2.gz UTPOXBLGKKTCHU-HUUCEWRRSA-N 2 0 367.494 -0.615 20 0 FBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000423684576 485117976 /nfs/dbraw/zinc/11/79/76/485117976.db2.gz UTPOXBLGKKTCHU-LSDHHAIUSA-N 2 0 367.494 -0.615 20 0 FBADRP CN(CCC[N@H+](C)Cc1ccco1)C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423689198 485119619 /nfs/dbraw/zinc/11/96/19/485119619.db2.gz CDICXSXHNIXDJO-HNNXBMFYSA-N 2 0 352.435 -0.254 20 0 FBADRP CN(CCC[N@H+](C)Cc1ccco1)C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423689199 485119373 /nfs/dbraw/zinc/11/93/73/485119373.db2.gz CDICXSXHNIXDJO-OAHLLOKOSA-N 2 0 352.435 -0.254 20 0 FBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000423689624 485119512 /nfs/dbraw/zinc/11/95/12/485119512.db2.gz XWEKYASTQZVEMS-HNNXBMFYSA-N 2 0 367.494 -0.613 20 0 FBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000423689626 485119322 /nfs/dbraw/zinc/11/93/22/485119322.db2.gz XWEKYASTQZVEMS-OAHLLOKOSA-N 2 0 367.494 -0.613 20 0 FBADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N(C)[C@@H](C)C[NH3+])CC2)CC1 ZINC000423694774 485121081 /nfs/dbraw/zinc/12/10/81/485121081.db2.gz BFJSKJUEJUWDNN-HNNXBMFYSA-N 2 0 353.511 -0.191 20 0 FBADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N(C)[C@H](C)C[NH3+])CC2)CC1 ZINC000423694778 485121043 /nfs/dbraw/zinc/12/10/43/485121043.db2.gz BFJSKJUEJUWDNN-OAHLLOKOSA-N 2 0 353.511 -0.191 20 0 FBADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423700577 485120417 /nfs/dbraw/zinc/12/04/17/485120417.db2.gz UIQQKVDRESZLIN-CVEARBPZSA-N 2 0 353.511 -0.319 20 0 FBADRP CN(CC[NH3+])C(=O)C(=O)N(C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000423703256 485120862 /nfs/dbraw/zinc/12/08/62/485120862.db2.gz BQWMMEVMGZQVGH-UHFFFAOYSA-N 2 0 361.490 -0.320 20 0 FBADRP C[C@@H]1CCN(C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C)C[C@@H]1C[NH3+] ZINC000423703673 485120829 /nfs/dbraw/zinc/12/08/29/485120829.db2.gz CMAVCCNSEMJVFN-CVEARBPZSA-N 2 0 355.527 -0.228 20 0 FBADRP C[C@H]1CCN(C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C)C[C@@H]1C[NH3+] ZINC000423703675 485120940 /nfs/dbraw/zinc/12/09/40/485120940.db2.gz CMAVCCNSEMJVFN-HOTGVXAUSA-N 2 0 355.527 -0.228 20 0 FBADRP C[C@@H]1CCN(C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C)C[C@H]1C[NH3+] ZINC000423703676 485121032 /nfs/dbraw/zinc/12/10/32/485121032.db2.gz CMAVCCNSEMJVFN-HZPDHXFCSA-N 2 0 355.527 -0.228 20 0 FBADRP C[C@H]1CCN(C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C)C[C@H]1C[NH3+] ZINC000423703677 485121121 /nfs/dbraw/zinc/12/11/21/485121121.db2.gz CMAVCCNSEMJVFN-JKSUJKDBSA-N 2 0 355.527 -0.228 20 0 FBADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000423704689 485122443 /nfs/dbraw/zinc/12/24/43/485122443.db2.gz MWXLBBYKMRJBQB-BEFAXECRSA-N 2 0 362.474 -0.113 20 0 FBADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000423704691 485122163 /nfs/dbraw/zinc/12/21/63/485122163.db2.gz MWXLBBYKMRJBQB-DNVCBOLYSA-N 2 0 362.474 -0.113 20 0 FBADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000423704692 485122108 /nfs/dbraw/zinc/12/21/08/485122108.db2.gz MWXLBBYKMRJBQB-HNAYVOBHSA-N 2 0 362.474 -0.113 20 0 FBADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000423704694 485122146 /nfs/dbraw/zinc/12/21/46/485122146.db2.gz MWXLBBYKMRJBQB-KXBFYZLASA-N 2 0 362.474 -0.113 20 0 FBADRP CN(CC[NH3+])C(=O)C(=O)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000423711435 485122427 /nfs/dbraw/zinc/12/24/27/485122427.db2.gz RQERIRXOGVYTDR-GOSISDBHSA-N 2 0 373.501 -0.178 20 0 FBADRP CN(CC[NH3+])C(=O)C(=O)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000423711437 485122085 /nfs/dbraw/zinc/12/20/85/485122085.db2.gz RQERIRXOGVYTDR-SFHVURJKSA-N 2 0 373.501 -0.178 20 0 FBADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000423714297 485123764 /nfs/dbraw/zinc/12/37/64/485123764.db2.gz RORVCOXDKNBFOC-IKGGRYGDSA-N 2 0 363.506 -0.565 20 0 FBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000423714298 485123145 /nfs/dbraw/zinc/12/31/45/485123145.db2.gz RORVCOXDKNBFOC-ZACQAIPSSA-N 2 0 363.506 -0.565 20 0 FBADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C ZINC000423717125 485123251 /nfs/dbraw/zinc/12/32/51/485123251.db2.gz JRKXXZYDJMUMRX-INIZCTEOSA-N 2 0 355.527 -0.071 20 0 FBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C ZINC000423717126 485123625 /nfs/dbraw/zinc/12/36/25/485123625.db2.gz JRKXXZYDJMUMRX-MRXNPFEDSA-N 2 0 355.527 -0.071 20 0 FBADRP CC[NH+](CC)CCN(C(=O)CCOC1C[NH2+]C1)[C@H]1CCS(=O)(=O)C1 ZINC000423720464 485124536 /nfs/dbraw/zinc/12/45/36/485124536.db2.gz DAIJYRNKBJTUCV-AWEZNQCLSA-N 2 0 361.508 -0.278 20 0 FBADRP CC[NH+](CC)CCN(C(=O)CCOC1C[NH2+]C1)[C@@H]1CCS(=O)(=O)C1 ZINC000423720472 485125053 /nfs/dbraw/zinc/12/50/53/485125053.db2.gz DAIJYRNKBJTUCV-CQSZACIVSA-N 2 0 361.508 -0.278 20 0 FBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000423721723 485124505 /nfs/dbraw/zinc/12/45/05/485124505.db2.gz FSIOMDDYHXDLBK-OAGGEKHMSA-N 2 0 352.479 -0.234 20 0 FBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000423721725 485124831 /nfs/dbraw/zinc/12/48/31/485124831.db2.gz FSIOMDDYHXDLBK-PMPSAXMXSA-N 2 0 352.479 -0.234 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CCN1C1CC[NH+](C)CC1 ZINC000423724847 485125856 /nfs/dbraw/zinc/12/58/56/485125856.db2.gz IRDLRQWMZNHLGV-INMHGKMJSA-N 2 0 363.506 -0.566 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CCN1C1CC[NH+](C)CC1 ZINC000423724850 485126170 /nfs/dbraw/zinc/12/61/70/485126170.db2.gz IRDLRQWMZNHLGV-UXLLHSPISA-N 2 0 363.506 -0.566 20 0 FBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000423726561 485125989 /nfs/dbraw/zinc/12/59/89/485125989.db2.gz KDTCIOUSNQEVNK-HIFRSBDPSA-N 2 0 359.430 -0.441 20 0 FBADRP C[C@@H]1CCCN(C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C)[C@H]1C[NH3+] ZINC000423727404 485125683 /nfs/dbraw/zinc/12/56/83/485125683.db2.gz IWKFFPOFGMVATG-CVEARBPZSA-N 2 0 355.527 -0.086 20 0 FBADRP C[C@H]1CCCN(C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C)[C@H]1C[NH3+] ZINC000423727405 485125700 /nfs/dbraw/zinc/12/57/00/485125700.db2.gz IWKFFPOFGMVATG-HOTGVXAUSA-N 2 0 355.527 -0.086 20 0 FBADRP C[C@@H]1CCCN(C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C)[C@@H]1C[NH3+] ZINC000423727406 485125809 /nfs/dbraw/zinc/12/58/09/485125809.db2.gz IWKFFPOFGMVATG-HZPDHXFCSA-N 2 0 355.527 -0.086 20 0 FBADRP C[C@H]1CCCN(C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C)[C@@H]1C[NH3+] ZINC000423727407 485125827 /nfs/dbraw/zinc/12/58/27/485125827.db2.gz IWKFFPOFGMVATG-JKSUJKDBSA-N 2 0 355.527 -0.086 20 0 FBADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000423730465 485127375 /nfs/dbraw/zinc/12/73/75/485127375.db2.gz YCKPCVSKGKCLIH-BZUAXINKSA-N 2 0 353.511 -0.191 20 0 FBADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000423730466 485127125 /nfs/dbraw/zinc/12/71/25/485127125.db2.gz YCKPCVSKGKCLIH-HRCADAONSA-N 2 0 353.511 -0.191 20 0 FBADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000423730467 485127033 /nfs/dbraw/zinc/12/70/33/485127033.db2.gz YCKPCVSKGKCLIH-OWCLPIDISA-N 2 0 353.511 -0.191 20 0 FBADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000423730468 485127314 /nfs/dbraw/zinc/12/73/14/485127314.db2.gz YCKPCVSKGKCLIH-XHSDSOJGSA-N 2 0 353.511 -0.191 20 0 FBADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000423730890 660458201 /nfs/dbraw/zinc/45/82/01/660458201.db2.gz NSFGBXACCQGZEV-GOSISDBHSA-N 2 0 353.511 -0.317 20 0 FBADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000423730892 660458219 /nfs/dbraw/zinc/45/82/19/660458219.db2.gz NSFGBXACCQGZEV-SFHVURJKSA-N 2 0 353.511 -0.317 20 0 FBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N3CCC[C@H](C)[C@@H]3C[NH3+])C2)CC1 ZINC000423732590 485127290 /nfs/dbraw/zinc/12/72/90/485127290.db2.gz MSIZTZIHZSUSHE-BBWFWOEESA-N 2 0 365.522 -0.189 20 0 FBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N3CCC[C@@H](C)[C@H]3C[NH3+])C2)CC1 ZINC000423732591 485127172 /nfs/dbraw/zinc/12/71/72/485127172.db2.gz MSIZTZIHZSUSHE-BRWVUGGUSA-N 2 0 365.522 -0.189 20 0 FBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N3CCC[C@H](C)[C@H]3C[NH3+])C2)CC1 ZINC000423732592 485127100 /nfs/dbraw/zinc/12/71/00/485127100.db2.gz MSIZTZIHZSUSHE-GVDBMIGSSA-N 2 0 365.522 -0.189 20 0 FBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N3CCC[C@@H](C)[C@@H]3C[NH3+])C2)CC1 ZINC000423732594 485127189 /nfs/dbraw/zinc/12/71/89/485127189.db2.gz MSIZTZIHZSUSHE-ZACQAIPSSA-N 2 0 365.522 -0.189 20 0 FBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000423737674 485128397 /nfs/dbraw/zinc/12/83/97/485128397.db2.gz FJPLKBAMQRUGFG-CVEARBPZSA-N 2 0 351.495 -0.517 20 0 FBADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000423737677 485128498 /nfs/dbraw/zinc/12/84/98/485128498.db2.gz FJPLKBAMQRUGFG-HOTGVXAUSA-N 2 0 351.495 -0.517 20 0 FBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000423737678 485127960 /nfs/dbraw/zinc/12/79/60/485127960.db2.gz FJPLKBAMQRUGFG-HZPDHXFCSA-N 2 0 351.495 -0.517 20 0 FBADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000423737679 485128602 /nfs/dbraw/zinc/12/86/02/485128602.db2.gz FJPLKBAMQRUGFG-JKSUJKDBSA-N 2 0 351.495 -0.517 20 0 FBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000423740677 485128804 /nfs/dbraw/zinc/12/88/04/485128804.db2.gz JEIKTQKMKXUIHA-RDJZCZTQSA-N 2 0 353.511 -0.286 20 0 FBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000423740680 485128175 /nfs/dbraw/zinc/12/81/75/485128175.db2.gz JEIKTQKMKXUIHA-WBVHZDCISA-N 2 0 353.511 -0.286 20 0 FBADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000423740988 485127983 /nfs/dbraw/zinc/12/79/83/485127983.db2.gz XPONCDKKFDJOKK-CVEARBPZSA-N 2 0 353.511 -0.604 20 0 FBADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000423740991 485128908 /nfs/dbraw/zinc/12/89/08/485128908.db2.gz XPONCDKKFDJOKK-HOTGVXAUSA-N 2 0 353.511 -0.604 20 0 FBADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000423740994 485128061 /nfs/dbraw/zinc/12/80/61/485128061.db2.gz XPONCDKKFDJOKK-HZPDHXFCSA-N 2 0 353.511 -0.604 20 0 FBADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000423740997 485128664 /nfs/dbraw/zinc/12/86/64/485128664.db2.gz XPONCDKKFDJOKK-JKSUJKDBSA-N 2 0 353.511 -0.604 20 0 FBADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000423743346 485127835 /nfs/dbraw/zinc/12/78/35/485127835.db2.gz LQGQYZDWRQCMSL-INIZCTEOSA-N 2 0 354.495 -0.108 20 0 FBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000423743347 485128704 /nfs/dbraw/zinc/12/87/04/485128704.db2.gz LQGQYZDWRQCMSL-MRXNPFEDSA-N 2 0 354.495 -0.108 20 0 FBADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000423744780 485128257 /nfs/dbraw/zinc/12/82/57/485128257.db2.gz NDVGICWVYSNZJH-DLBZAZTESA-N 2 0 365.522 -0.175 20 0 FBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000423744783 485128747 /nfs/dbraw/zinc/12/87/47/485128747.db2.gz NDVGICWVYSNZJH-IAGOWNOFSA-N 2 0 365.522 -0.175 20 0 FBADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000423744785 485127867 /nfs/dbraw/zinc/12/78/67/485127867.db2.gz NDVGICWVYSNZJH-IRXDYDNUSA-N 2 0 365.522 -0.175 20 0 FBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000423744787 485128281 /nfs/dbraw/zinc/12/82/81/485128281.db2.gz NDVGICWVYSNZJH-SJORKVTESA-N 2 0 365.522 -0.175 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCCO[C@H](C[NH3+])C2)CC1=O ZINC000424006718 485131773 /nfs/dbraw/zinc/13/17/73/485131773.db2.gz BNUHAFYCOWWVIV-ARFHVFGLSA-N 2 0 352.479 -0.105 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCCO[C@H](C[NH3+])C2)CC1=O ZINC000424006722 485131762 /nfs/dbraw/zinc/13/17/62/485131762.db2.gz BNUHAFYCOWWVIV-BZUAXINKSA-N 2 0 352.479 -0.105 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCCO[C@@H](C[NH3+])C2)CC1=O ZINC000424006725 485131922 /nfs/dbraw/zinc/13/19/22/485131922.db2.gz BNUHAFYCOWWVIV-OAGGEKHMSA-N 2 0 352.479 -0.105 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCCO[C@@H](C[NH3+])C2)CC1=O ZINC000424006728 485131855 /nfs/dbraw/zinc/13/18/55/485131855.db2.gz BNUHAFYCOWWVIV-XHSDSOJGSA-N 2 0 352.479 -0.105 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]32)CC1=O ZINC000424046886 485135352 /nfs/dbraw/zinc/13/53/52/485135352.db2.gz RYRMAWBQMOEELF-FXUDXRNXSA-N 2 0 350.463 -0.482 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]32)CC1=O ZINC000424046889 485134744 /nfs/dbraw/zinc/13/47/44/485134744.db2.gz RYRMAWBQMOEELF-LVQVYYBASA-N 2 0 350.463 -0.482 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]32)CC1=O ZINC000424046890 485134849 /nfs/dbraw/zinc/13/48/49/485134849.db2.gz RYRMAWBQMOEELF-XUWVNRHRSA-N 2 0 350.463 -0.482 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]32)CC1=O ZINC000424046892 485134365 /nfs/dbraw/zinc/13/43/65/485134365.db2.gz RYRMAWBQMOEELF-YHUYYLMFSA-N 2 0 350.463 -0.482 20 0 FBADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424160209 485157254 /nfs/dbraw/zinc/15/72/54/485157254.db2.gz QUHGVNBSTPFJLN-KBPBESRZSA-N 2 0 363.466 -0.338 20 0 FBADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424160214 485157837 /nfs/dbraw/zinc/15/78/37/485157837.db2.gz QUHGVNBSTPFJLN-KGLIPLIRSA-N 2 0 363.466 -0.338 20 0 FBADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424160217 485157416 /nfs/dbraw/zinc/15/74/16/485157416.db2.gz QUHGVNBSTPFJLN-UONOGXRCSA-N 2 0 363.466 -0.338 20 0 FBADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424160219 485157121 /nfs/dbraw/zinc/15/71/21/485157121.db2.gz QUHGVNBSTPFJLN-ZIAGYGMSSA-N 2 0 363.466 -0.338 20 0 FBADRP Cn1cc(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)c([C@H]2CCC[NH2+]C2)n1 ZINC000424161794 485159041 /nfs/dbraw/zinc/15/90/41/485159041.db2.gz WCSRWSWQAIEQGZ-DZGCQCFKSA-N 2 0 362.478 -0.043 20 0 FBADRP Cn1cc(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)c([C@@H]2CCC[NH2+]C2)n1 ZINC000424161797 485160207 /nfs/dbraw/zinc/16/02/07/485160207.db2.gz WCSRWSWQAIEQGZ-HIFRSBDPSA-N 2 0 362.478 -0.043 20 0 FBADRP Cn1cc(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)c([C@@H]2CCC[NH2+]C2)n1 ZINC000424161799 485160360 /nfs/dbraw/zinc/16/03/60/485160360.db2.gz WCSRWSWQAIEQGZ-UKRRQHHQSA-N 2 0 362.478 -0.043 20 0 FBADRP Cn1cc(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)c([C@H]2CCC[NH2+]C2)n1 ZINC000424161802 485160401 /nfs/dbraw/zinc/16/04/01/485160401.db2.gz WCSRWSWQAIEQGZ-ZFWWWQNUSA-N 2 0 362.478 -0.043 20 0 FBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)C1 ZINC000424162364 485160452 /nfs/dbraw/zinc/16/04/52/485160452.db2.gz WSBXWLAEEACYGX-KBPBESRZSA-N 2 0 363.466 -0.480 20 0 FBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)C1 ZINC000424162367 485160098 /nfs/dbraw/zinc/16/00/98/485160098.db2.gz WSBXWLAEEACYGX-KGLIPLIRSA-N 2 0 363.466 -0.480 20 0 FBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)C1 ZINC000424162371 485160544 /nfs/dbraw/zinc/16/05/44/485160544.db2.gz WSBXWLAEEACYGX-UONOGXRCSA-N 2 0 363.466 -0.480 20 0 FBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)C1 ZINC000424162375 485160781 /nfs/dbraw/zinc/16/07/81/485160781.db2.gz WSBXWLAEEACYGX-ZIAGYGMSSA-N 2 0 363.466 -0.480 20 0 FBADRP C[C@H]1CC2(C[N@@H+]1CC(=O)NCCCN(C)S(C)(=O)=O)CC[NH2+]CC2 ZINC000424287157 485175716 /nfs/dbraw/zinc/17/57/16/485175716.db2.gz IRUVRYNQKKFDKF-AWEZNQCLSA-N 2 0 360.524 -0.152 20 0 FBADRP C[C@@H]1CC2(C[N@@H+]1CC(=O)NCCCN(C)S(C)(=O)=O)CC[NH2+]CC2 ZINC000424287160 485175073 /nfs/dbraw/zinc/17/50/73/485175073.db2.gz IRUVRYNQKKFDKF-CQSZACIVSA-N 2 0 360.524 -0.152 20 0 FBADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000424460848 485191682 /nfs/dbraw/zinc/19/16/82/485191682.db2.gz YXDQUIUKTPXVGD-HNNXBMFYSA-N 2 0 361.446 -0.152 20 0 FBADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000424460849 485191500 /nfs/dbraw/zinc/19/15/00/485191500.db2.gz YXDQUIUKTPXVGD-OAHLLOKOSA-N 2 0 361.446 -0.152 20 0 FBADRP Cn1cc([C@@H]2CN(C(=O)C(=O)NCC3([NH+](C)C)CCCC3)C[C@H]2[NH3+])cn1 ZINC000424484555 485196857 /nfs/dbraw/zinc/19/68/57/485196857.db2.gz AJSRYXPZKOZSHK-LSDHHAIUSA-N 2 0 362.478 -0.336 20 0 FBADRP Cn1cc([C@@H]2CN(C(=O)C(=O)NC[C@H]3CCCC[N@@H+]3C3CC3)C[C@H]2[NH3+])cn1 ZINC000424486803 485198269 /nfs/dbraw/zinc/19/82/69/485198269.db2.gz ABDUNBFTRNRSOM-IXDOHACOSA-N 2 0 374.489 -0.194 20 0 FBADRP Cn1cc([C@@H]2CN(C(=O)C(=O)NC[C@@H]3CCCC[N@@H+]3C3CC3)C[C@H]2[NH3+])cn1 ZINC000424486805 485198044 /nfs/dbraw/zinc/19/80/44/485198044.db2.gz ABDUNBFTRNRSOM-YESZJQIVSA-N 2 0 374.489 -0.194 20 0 FBADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424486962 485197991 /nfs/dbraw/zinc/19/79/91/485197991.db2.gz AJNOLWSHGJRYQH-LSDHHAIUSA-N 2 0 350.467 -0.479 20 0 FBADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424491131 485200343 /nfs/dbraw/zinc/20/03/43/485200343.db2.gz CDPDKLSVJXYFGK-LSDHHAIUSA-N 2 0 362.478 -0.384 20 0 FBADRP [NH3+]C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)CCO1 ZINC000424491812 485201621 /nfs/dbraw/zinc/20/16/21/485201621.db2.gz FVZGKKUYVJMQFU-OKZBNKHCSA-N 2 0 372.469 -0.095 20 0 FBADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)CCO1 ZINC000424491813 485202125 /nfs/dbraw/zinc/20/21/25/485202125.db2.gz FVZGKKUYVJMQFU-RCCFBDPRSA-N 2 0 372.469 -0.095 20 0 FBADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424491838 485201867 /nfs/dbraw/zinc/20/18/67/485201867.db2.gz GAJPBCJVXPMMIT-JKSUJKDBSA-N 2 0 364.494 -0.137 20 0 FBADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C1 ZINC000424497202 485203051 /nfs/dbraw/zinc/20/30/51/485203051.db2.gz WLIWYXIHPXALPF-HRCADAONSA-N 2 0 362.478 -0.386 20 0 FBADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C1 ZINC000424497203 485202708 /nfs/dbraw/zinc/20/27/08/485202708.db2.gz WLIWYXIHPXALPF-OWCLPIDISA-N 2 0 362.478 -0.386 20 0 FBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424498043 485202849 /nfs/dbraw/zinc/20/28/49/485202849.db2.gz YNOSWSJWNURCPJ-LSDHHAIUSA-N 2 0 350.467 -0.528 20 0 FBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424498409 485202982 /nfs/dbraw/zinc/20/29/82/485202982.db2.gz ZMCXBPMFIJQCOK-LSDHHAIUSA-N 2 0 350.467 -0.527 20 0 FBADRP CCC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CC1 ZINC000424510166 485205415 /nfs/dbraw/zinc/20/54/15/485205415.db2.gz RHDAMCUOOIWMOW-JKSUJKDBSA-N 2 0 362.478 -0.336 20 0 FBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424511764 484357257 /nfs/dbraw/zinc/35/72/57/484357257.db2.gz UKSARZKTELAYLM-AEGPPILISA-N 2 0 350.467 -0.480 20 0 FBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424511765 484357555 /nfs/dbraw/zinc/35/75/55/484357555.db2.gz UKSARZKTELAYLM-VHDGCEQUSA-N 2 0 350.467 -0.480 20 0 FBADRP CC(C)[NH+](CCNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)C(C)C ZINC000424515278 485206766 /nfs/dbraw/zinc/20/67/66/485206766.db2.gz BYIBLSRBPUFDON-JKSUJKDBSA-N 2 0 364.494 -0.092 20 0 FBADRP CC1CC[NH+](CCNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CC1 ZINC000424516384 485207043 /nfs/dbraw/zinc/20/70/43/485207043.db2.gz FADZYENPOYAXSI-JKSUJKDBSA-N 2 0 362.478 -0.479 20 0 FBADRP C[C@H](NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)C(C)(C)C[NH+](C)C ZINC000424517887 485206823 /nfs/dbraw/zinc/20/68/23/485206823.db2.gz GSEMBEHNRDRNCH-AEGPPILISA-N 2 0 364.494 -0.234 20 0 FBADRP C[C@@H](NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)C(C)(C)C[NH+](C)C ZINC000424517888 485207003 /nfs/dbraw/zinc/20/70/03/485207003.db2.gz GSEMBEHNRDRNCH-VHDGCEQUSA-N 2 0 364.494 -0.234 20 0 FBADRP Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@H]3CC[N@@H+](C4CCCC4)C3)C[C@H]2[NH3+])cn1 ZINC000424518688 485207889 /nfs/dbraw/zinc/20/78/89/485207889.db2.gz IHCZJPIDMIFKAF-BHYGNILZSA-N 2 0 374.489 -0.194 20 0 FBADRP Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@@H]3CC[N@@H+](C4CCCC4)C3)C[C@H]2[NH3+])cn1 ZINC000424518689 485208414 /nfs/dbraw/zinc/20/84/14/485208414.db2.gz IHCZJPIDMIFKAF-HYVNUMGLSA-N 2 0 374.489 -0.194 20 0 FBADRP Cn1cc([C@@H]2CN(C(=O)C(=O)NCC[N@H+](C)C3CCCC3)C[C@H]2[NH3+])cn1 ZINC000424521172 485208174 /nfs/dbraw/zinc/20/81/74/485208174.db2.gz LMUJFALLXOCJTO-JKSUJKDBSA-N 2 0 362.478 -0.336 20 0 FBADRP Cn1cc([C@@H]2CN(C(=O)C(=O)NCC3CC[NH+](C4CC4)CC3)C[C@H]2[NH3+])cn1 ZINC000424521980 485209658 /nfs/dbraw/zinc/20/96/58/485209658.db2.gz MJSSSKPDKYUJIA-DLBZAZTESA-N 2 0 374.489 -0.336 20 0 FBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424523037 485207968 /nfs/dbraw/zinc/20/79/68/485207968.db2.gz NWBWFDVYWZFUNP-HRCADAONSA-N 2 0 362.478 -0.336 20 0 FBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424523040 485208307 /nfs/dbraw/zinc/20/83/07/485208307.db2.gz NWBWFDVYWZFUNP-OWCLPIDISA-N 2 0 362.478 -0.336 20 0 FBADRP C[C@H]1CC2(CN1C(=O)C(=O)NCC1CC[NH+](CCO)CC1)CC[NH2+]CC2 ZINC000424523110 485208026 /nfs/dbraw/zinc/20/80/26/485208026.db2.gz OCYXCDRQCUOTDC-HNNXBMFYSA-N 2 0 366.506 -0.203 20 0 FBADRP C[C@@H]1CC2(CN1C(=O)C(=O)NCC1CC[NH+](CCO)CC1)CC[NH2+]CC2 ZINC000424523112 485208240 /nfs/dbraw/zinc/20/82/40/485208240.db2.gz OCYXCDRQCUOTDC-OAHLLOKOSA-N 2 0 366.506 -0.203 20 0 FBADRP C[C@@H](CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)C[NH+]1CCCC1 ZINC000424525743 485209017 /nfs/dbraw/zinc/20/90/17/485209017.db2.gz RDLAQHJKJICESW-CWRNSKLLSA-N 2 0 362.478 -0.479 20 0 FBADRP C[C@H](CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)C[NH+]1CCCC1 ZINC000424525746 485209207 /nfs/dbraw/zinc/20/92/07/485209207.db2.gz RDLAQHJKJICESW-VNQPRFMTSA-N 2 0 362.478 -0.479 20 0 FBADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424529685 485213962 /nfs/dbraw/zinc/21/39/62/485213962.db2.gz VDUGDDQEMLAFQW-CWRNSKLLSA-N 2 0 362.478 -0.336 20 0 FBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424529692 485214172 /nfs/dbraw/zinc/21/41/72/485214172.db2.gz VDUGDDQEMLAFQW-VNQPRFMTSA-N 2 0 362.478 -0.336 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)C1 ZINC000424529786 485214618 /nfs/dbraw/zinc/21/46/18/485214618.db2.gz VGLRPZJAVNMJBE-CABCVRRESA-N 2 0 352.479 -0.186 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)C1 ZINC000424529791 485213937 /nfs/dbraw/zinc/21/39/37/485213937.db2.gz VGLRPZJAVNMJBE-GJZGRUSLSA-N 2 0 352.479 -0.186 20 0 FBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)C1 ZINC000424529795 485214334 /nfs/dbraw/zinc/21/43/34/485214334.db2.gz VGLRPZJAVNMJBE-HUUCEWRRSA-N 2 0 352.479 -0.186 20 0 FBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)C1 ZINC000424529799 485214092 /nfs/dbraw/zinc/21/40/92/485214092.db2.gz VGLRPZJAVNMJBE-LSDHHAIUSA-N 2 0 352.479 -0.186 20 0 FBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424530220 485214791 /nfs/dbraw/zinc/21/47/91/485214791.db2.gz VQLMPQMEIJNAOK-VHDGCEQUSA-N 2 0 350.467 -0.480 20 0 FBADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C1 ZINC000424534712 485223371 /nfs/dbraw/zinc/22/33/71/485223371.db2.gz ZKNMHMQRZOESTI-CWRNSKLLSA-N 2 0 362.478 -0.479 20 0 FBADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C1 ZINC000424534713 485222398 /nfs/dbraw/zinc/22/23/98/485222398.db2.gz ZKNMHMQRZOESTI-VNQPRFMTSA-N 2 0 362.478 -0.479 20 0 FBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424535228 485222928 /nfs/dbraw/zinc/22/29/28/485222928.db2.gz ZYLOBEHOLALCNA-AEGPPILISA-N 2 0 350.467 -0.480 20 0 FBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424535229 485223382 /nfs/dbraw/zinc/22/33/82/485223382.db2.gz ZYLOBEHOLALCNA-VHDGCEQUSA-N 2 0 350.467 -0.480 20 0 FBADRP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)C[C@H]2[NH3+])cn1 ZINC000424535527 485223074 /nfs/dbraw/zinc/22/30/74/485223074.db2.gz AMKNIWCDUTXOMY-BHYGNILZSA-N 2 0 374.489 -0.383 20 0 FBADRP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[C@H](C[NH+]4CCCC4)C3)C[C@H]2[NH3+])cn1 ZINC000424535535 485223082 /nfs/dbraw/zinc/22/30/82/485223082.db2.gz AMKNIWCDUTXOMY-HYVNUMGLSA-N 2 0 374.489 -0.383 20 0 FBADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424535582 485223118 /nfs/dbraw/zinc/22/31/18/485223118.db2.gz APDBEJLVRMZDRY-JKSUJKDBSA-N 2 0 364.494 -0.281 20 0 FBADRP CC1=CC[N@H+](CCNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CC1 ZINC000424535694 485222712 /nfs/dbraw/zinc/22/27/12/485222712.db2.gz AJSSCSKYYNOMPC-JKSUJKDBSA-N 2 0 360.462 -0.559 20 0 FBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C1 ZINC000424537870 485224777 /nfs/dbraw/zinc/22/47/77/485224777.db2.gz CTALBZJTJXZHOI-HRCADAONSA-N 2 0 362.478 -0.384 20 0 FBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C1 ZINC000424537875 485225133 /nfs/dbraw/zinc/22/51/33/485225133.db2.gz CTALBZJTJXZHOI-OWCLPIDISA-N 2 0 362.478 -0.384 20 0 FBADRP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)C[C@H]2[NH3+])cn1 ZINC000424537997 485224356 /nfs/dbraw/zinc/22/43/56/485224356.db2.gz CYVWVEPQSYIYSG-IXDOHACOSA-N 2 0 374.489 -0.240 20 0 FBADRP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCC[C@H]([NH+]4CCCC4)C3)C[C@H]2[NH3+])cn1 ZINC000424538001 485224412 /nfs/dbraw/zinc/22/44/12/485224412.db2.gz CYVWVEPQSYIYSG-YESZJQIVSA-N 2 0 374.489 -0.240 20 0 FBADRP Cn1cc([C@@H]2CN(C(=O)C(=O)NCCC[NH+]3CCCCC3)C[C@H]2[NH3+])cn1 ZINC000424539651 485224967 /nfs/dbraw/zinc/22/49/67/485224967.db2.gz CQWQXYOWNFYUIG-JKSUJKDBSA-N 2 0 362.478 -0.335 20 0 FBADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424545964 485228662 /nfs/dbraw/zinc/22/86/62/485228662.db2.gz MFIBRRSIWQDYRN-JKSUJKDBSA-N 2 0 362.478 -0.383 20 0 FBADRP CN(C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000424547516 485228729 /nfs/dbraw/zinc/22/87/29/485228729.db2.gz OQQBANFRSZZORY-HRCADAONSA-N 2 0 360.462 -0.632 20 0 FBADRP CN(C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000424547517 485228473 /nfs/dbraw/zinc/22/84/73/485228473.db2.gz OQQBANFRSZZORY-OWCLPIDISA-N 2 0 360.462 -0.632 20 0 FBADRP Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@@H]3CCC[C@H]([NH+](C)C)C3)C[C@H]2[NH3+])cn1 ZINC000424547827 485228495 /nfs/dbraw/zinc/22/84/95/485228495.db2.gz KQBXHVBAYHHLMU-FXUDXRNXSA-N 2 0 362.478 -0.338 20 0 FBADRP Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@@H]3CCC[C@@H]([NH+](C)C)C3)C[C@H]2[NH3+])cn1 ZINC000424547831 485228582 /nfs/dbraw/zinc/22/85/82/485228582.db2.gz KQBXHVBAYHHLMU-LVQVYYBASA-N 2 0 362.478 -0.338 20 0 FBADRP Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@H]3CCC[C@@H]([NH+](C)C)C3)C[C@H]2[NH3+])cn1 ZINC000424547833 485228076 /nfs/dbraw/zinc/22/80/76/485228076.db2.gz KQBXHVBAYHHLMU-XUWVNRHRSA-N 2 0 362.478 -0.338 20 0 FBADRP Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@H]3CCC[C@H]([NH+](C)C)C3)C[C@H]2[NH3+])cn1 ZINC000424547834 485228904 /nfs/dbraw/zinc/22/89/04/485228904.db2.gz KQBXHVBAYHHLMU-YHUYYLMFSA-N 2 0 362.478 -0.338 20 0 FBADRP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCC([NH+]4CCCC4)CC3)C[C@H]2[NH3+])cn1 ZINC000424548510 485228609 /nfs/dbraw/zinc/22/86/09/485228609.db2.gz PYMJHRAKILYQKP-DLBZAZTESA-N 2 0 374.489 -0.240 20 0 FBADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424548982 485229757 /nfs/dbraw/zinc/22/97/57/485229757.db2.gz QQEGWRCVYBKEGG-CWRNSKLLSA-N 2 0 362.478 -0.527 20 0 FBADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424548983 485230197 /nfs/dbraw/zinc/23/01/97/485230197.db2.gz QQEGWRCVYBKEGG-VNQPRFMTSA-N 2 0 362.478 -0.527 20 0 FBADRP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424551009 485229924 /nfs/dbraw/zinc/22/99/24/485229924.db2.gz USZRKQFFJNSWKL-OKZBNKHCSA-N 2 0 372.469 -0.176 20 0 FBADRP O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424551011 485229623 /nfs/dbraw/zinc/22/96/23/485229623.db2.gz USZRKQFFJNSWKL-RCCFBDPRSA-N 2 0 372.469 -0.176 20 0 FBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424552656 485229598 /nfs/dbraw/zinc/22/95/98/485229598.db2.gz QLBYATPXCRSGDJ-CAPXZKIUSA-N 2 0 360.462 -0.728 20 0 FBADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424552657 485230068 /nfs/dbraw/zinc/23/00/68/485230068.db2.gz QLBYATPXCRSGDJ-DANNLKNASA-N 2 0 360.462 -0.728 20 0 FBADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424552658 485229399 /nfs/dbraw/zinc/22/93/99/485229399.db2.gz QLBYATPXCRSGDJ-KSYCFECVSA-N 2 0 360.462 -0.728 20 0 FBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424552659 485229422 /nfs/dbraw/zinc/22/94/22/485229422.db2.gz QLBYATPXCRSGDJ-MSQAHXEGSA-N 2 0 360.462 -0.728 20 0 FBADRP C[C@H]1C[C@H](NC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C[N@@H+]1C1CC1 ZINC000424553104 485229555 /nfs/dbraw/zinc/22/95/55/485229555.db2.gz QZMOVURLVSLDDL-DLKVLKDVSA-N 2 0 360.462 -0.585 20 0 FBADRP C[C@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C[N@@H+]1C1CC1 ZINC000424553110 485229848 /nfs/dbraw/zinc/22/98/48/485229848.db2.gz QZMOVURLVSLDDL-RUAUBTSSSA-N 2 0 360.462 -0.585 20 0 FBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C[N@@H+]1C1CC1 ZINC000424553111 485230045 /nfs/dbraw/zinc/23/00/45/485230045.db2.gz QZMOVURLVSLDDL-SHPPOPEUSA-N 2 0 360.462 -0.585 20 0 FBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C[N@@H+]1C1CC1 ZINC000424553113 485229367 /nfs/dbraw/zinc/22/93/67/485229367.db2.gz QZMOVURLVSLDDL-XABYNWHXSA-N 2 0 360.462 -0.585 20 0 FBADRP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCC[C@@H]3C[NH+]3CCCC3)C[C@H]2[NH3+])cn1 ZINC000424553172 485229681 /nfs/dbraw/zinc/22/96/81/485229681.db2.gz ZDNHUWQHAPHBQO-IXDOHACOSA-N 2 0 374.489 -0.240 20 0 FBADRP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCC[C@H]3C[NH+]3CCCC3)C[C@H]2[NH3+])cn1 ZINC000424553174 485229514 /nfs/dbraw/zinc/22/95/14/485229514.db2.gz ZDNHUWQHAPHBQO-YESZJQIVSA-N 2 0 374.489 -0.240 20 0 FBADRP Cn1cc([C@@H]2CN(C(=O)C(=O)NCCC3CC[NH+](C)CC3)C[C@H]2[NH3+])cn1 ZINC000424554829 485230902 /nfs/dbraw/zinc/23/09/02/485230902.db2.gz SRRWKJSDFZOTCY-JKSUJKDBSA-N 2 0 362.478 -0.479 20 0 FBADRP Cn1cc([C@@H]2CN(C(=O)C(=O)NCC[C@@H]3CCC[N@H+](C)C3)C[C@H]2[NH3+])cn1 ZINC000424556200 485231262 /nfs/dbraw/zinc/23/12/62/485231262.db2.gz UGOLYCNNGOHUFZ-CWRNSKLLSA-N 2 0 362.478 -0.479 20 0 FBADRP Cn1cc([C@@H]2CN(C(=O)C(=O)NCC[C@H]3CCC[N@H+](C)C3)C[C@H]2[NH3+])cn1 ZINC000424556201 485231210 /nfs/dbraw/zinc/23/12/10/485231210.db2.gz UGOLYCNNGOHUFZ-VNQPRFMTSA-N 2 0 362.478 -0.479 20 0 FBADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424556237 485231055 /nfs/dbraw/zinc/23/10/55/485231055.db2.gz UKMZUBNGALLTTC-LSDHHAIUSA-N 2 0 350.467 -0.479 20 0 FBADRP Cn1cc([C@@H]2CN(C(=O)C(=O)NCc3ccc4c[nH+]cn4c3)C[C@H]2[NH3+])cn1 ZINC000424560804 485233848 /nfs/dbraw/zinc/23/38/48/485233848.db2.gz YNKQVLBZOUFJHC-JKSUJKDBSA-N 2 0 367.413 -0.363 20 0 FBADRP COCC[N@H+](C)CCN1C[C@H](NC(=O)C[NH+](C)[C@H]2CCSC2)CC1=O ZINC000425317981 483897766 /nfs/dbraw/zinc/89/77/66/483897766.db2.gz NZSMTYYTFCLHAR-CABCVRRESA-N 2 0 372.535 -0.281 20 0 FBADRP COCC[N@H+](C)CCN1C[C@@H](NC(=O)C[NH+](C)[C@H]2CCSC2)CC1=O ZINC000425317982 483897602 /nfs/dbraw/zinc/89/76/02/483897602.db2.gz NZSMTYYTFCLHAR-GJZGRUSLSA-N 2 0 372.535 -0.281 20 0 FBADRP COCC[N@H+](C)CCN1C[C@H](NC(=O)C[NH+](C)[C@@H]2CCSC2)CC1=O ZINC000425317983 483897736 /nfs/dbraw/zinc/89/77/36/483897736.db2.gz NZSMTYYTFCLHAR-HUUCEWRRSA-N 2 0 372.535 -0.281 20 0 FBADRP COCC[N@H+](C)CCN1C[C@@H](NC(=O)C[NH+](C)[C@@H]2CCSC2)CC1=O ZINC000425317984 483897912 /nfs/dbraw/zinc/89/79/12/483897912.db2.gz NZSMTYYTFCLHAR-LSDHHAIUSA-N 2 0 372.535 -0.281 20 0 FBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425381796 483997312 /nfs/dbraw/zinc/99/73/12/483997312.db2.gz GKNRHTZEDINHIX-DLBZAZTESA-N 2 0 365.522 -0.365 20 0 FBADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)N2CCC[C@H]3C[NH+](C)C[C@H]32)CC1 ZINC000425388474 484000010 /nfs/dbraw/zinc/00/00/10/484000010.db2.gz OTEVNCSJVLOBPC-DOTOQJQBSA-N 2 0 366.506 -0.156 20 0 FBADRP O=C(CC1(C(=O)NCC[NH+]2CCC2)CCOCC1)NCC[NH+]1CCC1 ZINC000426979211 483821300 /nfs/dbraw/zinc/82/13/00/483821300.db2.gz ZIJUSOOCMVIYCH-UHFFFAOYSA-N 2 0 352.479 -0.183 20 0 FBADRP C[NH+](C)C1CN(C(=O)CC2(C(=O)N3CC([NH+](C)C)C3)CCOCC2)C1 ZINC000426992969 483821049 /nfs/dbraw/zinc/82/10/49/483821049.db2.gz WHOCTFFFAQOAEX-UHFFFAOYSA-N 2 0 352.479 -0.282 20 0 FBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000427023162 484116281 /nfs/dbraw/zinc/11/62/81/484116281.db2.gz ZYFOCPFOVGNPQA-CYBMUJFWSA-N 2 0 350.467 0.545 20 0 FBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000427023166 484473583 /nfs/dbraw/zinc/47/35/83/484473583.db2.gz ZYFOCPFOVGNPQA-ZDUSSCGKSA-N 2 0 350.467 0.545 20 0 FBADRP C[NH+]1CCC(n2ccc(NC(=O)C(=O)NCCNc3cc[nH+]cc3)n2)CC1 ZINC000427068687 484134847 /nfs/dbraw/zinc/13/48/47/484134847.db2.gz CEFIIDKVBYLQQP-UHFFFAOYSA-N 2 0 371.445 0.134 20 0 FBADRP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)n2)CC1 ZINC000427077506 484135548 /nfs/dbraw/zinc/13/55/48/484135548.db2.gz PIIGBGJUHQTZTA-CYBMUJFWSA-N 2 0 360.462 0.441 20 0 FBADRP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)n2)CC1 ZINC000427077507 484134486 /nfs/dbraw/zinc/13/44/86/484134486.db2.gz PIIGBGJUHQTZTA-ZDUSSCGKSA-N 2 0 360.462 0.441 20 0 FBADRP CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000427083847 484197172 /nfs/dbraw/zinc/19/71/72/484197172.db2.gz DQDHPSUDXKXPBW-UHFFFAOYSA-N 2 0 350.467 0.545 20 0 FBADRP C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)C1CC1 ZINC000427091131 484111774 /nfs/dbraw/zinc/11/17/74/484111774.db2.gz BSZAWFHYQWRNFF-HNNXBMFYSA-N 2 0 362.478 0.545 20 0 FBADRP C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)C1CC1 ZINC000427091132 484114435 /nfs/dbraw/zinc/11/44/35/484114435.db2.gz BSZAWFHYQWRNFF-OAHLLOKOSA-N 2 0 362.478 0.545 20 0 FBADRP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CC[NH+]4CCC3CC4)n2)CC1 ZINC000427380770 484135399 /nfs/dbraw/zinc/13/53/99/484135399.db2.gz ZDNCFTWTYIJJJP-UHFFFAOYSA-N 2 0 360.462 0.395 20 0 FBADRP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CC[C@H]([NH+]4CC=CC4)C3)n2)CC1 ZINC000427518329 484134233 /nfs/dbraw/zinc/13/42/33/484134233.db2.gz DWAQMFBABOBIHB-INIZCTEOSA-N 2 0 372.473 0.561 20 0 FBADRP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CC[C@@H]([NH+]4CC=CC4)C3)n2)CC1 ZINC000427518330 484135117 /nfs/dbraw/zinc/13/51/17/484135117.db2.gz DWAQMFBABOBIHB-MRXNPFEDSA-N 2 0 372.473 0.561 20 0 FBADRP C[N@H+]1C[C@H]2CN(C(=O)C(=O)Nc3ccn(C4CC[NH+](C)CC4)n3)C[C@H]2C1 ZINC000427872786 484150311 /nfs/dbraw/zinc/15/03/11/484150311.db2.gz DSXHPCGATSKNHJ-OKILXGFUSA-N 2 0 360.462 0.108 20 0 FBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000428188411 485340481 /nfs/dbraw/zinc/34/04/81/485340481.db2.gz ZROHDFTYGCQYGP-UHFFFAOYSA-N 2 0 360.462 -0.663 20 0 FBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000428197302 485340456 /nfs/dbraw/zinc/34/04/56/485340456.db2.gz HNJWJJAFYUQSME-UHFFFAOYSA-N 2 0 374.489 -0.516 20 0 FBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000428198058 485340630 /nfs/dbraw/zinc/34/06/30/485340630.db2.gz XTCZOFAMGSLKIF-UHFFFAOYSA-N 2 0 373.501 -0.062 20 0 FBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000428199713 485340835 /nfs/dbraw/zinc/34/08/35/485340835.db2.gz OELZBVCXUUTEMZ-UHFFFAOYSA-N 2 0 373.501 -0.062 20 0 FBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000428213997 485341382 /nfs/dbraw/zinc/34/13/82/485341382.db2.gz XEUSNRPHBHEPRL-UHFFFAOYSA-N 2 0 352.479 -0.088 20 0 FBADRP C[C@@H](C(=O)N(C)C)S(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000428341080 485341200 /nfs/dbraw/zinc/34/12/00/485341200.db2.gz ULBKSTARFGBIEQ-AWEZNQCLSA-N 2 0 350.529 -0.002 20 0 FBADRP C[C@H](C(=O)N(C)C)S(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000428341086 485341047 /nfs/dbraw/zinc/34/10/47/485341047.db2.gz ULBKSTARFGBIEQ-CQSZACIVSA-N 2 0 350.529 -0.002 20 0 FBADRP CC[NH+]1CCN(CC(=O)Nc2cccc(S(=O)(=O)NCC[NH3+])c2)CC1 ZINC000428548136 485342836 /nfs/dbraw/zinc/34/28/36/485342836.db2.gz OCUPDJYLEAPPNB-UHFFFAOYSA-N 2 0 369.491 -0.500 20 0 FBADRP CC[NH+]1CCN(CC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000428625242 485344219 /nfs/dbraw/zinc/34/42/19/485344219.db2.gz JPSRXIPGNVQOHF-INIZCTEOSA-N 2 0 351.495 -0.706 20 0 FBADRP CC[NH+]1CCN(CC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000428625247 485344612 /nfs/dbraw/zinc/34/46/12/485344612.db2.gz JPSRXIPGNVQOHF-MRXNPFEDSA-N 2 0 351.495 -0.706 20 0 FBADRP COCC[C@]1(C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC[NH2+]C1 ZINC000428629762 483986952 /nfs/dbraw/zinc/98/69/52/483986952.db2.gz SKNMFZIHOVPADG-CRAIPNDOSA-N 2 0 352.479 -0.327 20 0 FBADRP COCC[C@]1(C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC[NH2+]C1 ZINC000428629774 483986167 /nfs/dbraw/zinc/98/61/67/483986167.db2.gz SKNMFZIHOVPADG-MAUKXSAKSA-N 2 0 352.479 -0.327 20 0 FBADRP COCC[C@@]1(C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC[NH2+]C1 ZINC000428629789 483986004 /nfs/dbraw/zinc/98/60/04/483986004.db2.gz SKNMFZIHOVPADG-QAPCUYQASA-N 2 0 352.479 -0.327 20 0 FBADRP COCC[C@@]1(C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC[NH2+]C1 ZINC000428629792 483986125 /nfs/dbraw/zinc/98/61/25/483986125.db2.gz SKNMFZIHOVPADG-YJBOKZPZSA-N 2 0 352.479 -0.327 20 0 FBADRP CC[NH+]1CCN(CCC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000428630168 483986567 /nfs/dbraw/zinc/98/65/67/483986567.db2.gz OPVADXDCOUQNSS-KRWDZBQOSA-N 2 0 365.522 -0.316 20 0 FBADRP CC[NH+]1CCN(CCC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000428630178 483986773 /nfs/dbraw/zinc/98/67/73/483986773.db2.gz OPVADXDCOUQNSS-QGZVFWFLSA-N 2 0 365.522 -0.316 20 0 FBADRP CC[NH+](CC(=O)N1CCN(C(=O)C[N@@H+](CC)[C@H](C)CO)CC1)[C@H](C)CO ZINC000428842100 485346610 /nfs/dbraw/zinc/34/66/10/485346610.db2.gz RTEJNDHVUBXAMZ-HZPDHXFCSA-N 2 0 372.510 -0.937 20 0 FBADRP CNC(=O)[C@]1(C)CC[N@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000430256260 485365116 /nfs/dbraw/zinc/36/51/16/485365116.db2.gz XYWRJEQRVPSMIL-CRAIPNDOSA-N 2 0 354.495 -0.083 20 0 FBADRP CNC(=O)[C@]1(C)CC[N@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000430256262 485365071 /nfs/dbraw/zinc/36/50/71/485365071.db2.gz XYWRJEQRVPSMIL-MAUKXSAKSA-N 2 0 354.495 -0.083 20 0 FBADRP CNC(=O)[C@@]1(C)CC[N@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000430256264 485364930 /nfs/dbraw/zinc/36/49/30/485364930.db2.gz XYWRJEQRVPSMIL-QAPCUYQASA-N 2 0 354.495 -0.083 20 0 FBADRP CNC(=O)[C@@]1(C)CC[N@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000430256266 485364644 /nfs/dbraw/zinc/36/46/44/485364644.db2.gz XYWRJEQRVPSMIL-YJBOKZPZSA-N 2 0 354.495 -0.083 20 0 FBADRP CNC(=O)[C@]1(C)CC[N@H+](CC2(C[NH+]3CC[C@](C)(C(=O)NC)C3)COC2)C1 ZINC000430261773 485364871 /nfs/dbraw/zinc/36/48/71/485364871.db2.gz VGMVHOHXOGAOCP-HDICACEKSA-N 2 0 366.506 -0.081 20 0 FBADRP CNC(=O)[C@]1(C)CC[NH+](CC2(C[N@H+]3CC[C@@](C)(C(=O)NC)C3)COC2)C1 ZINC000430261776 485365019 /nfs/dbraw/zinc/36/50/19/485365019.db2.gz VGMVHOHXOGAOCP-QZTJIDSGSA-N 2 0 366.506 -0.081 20 0 FBADRP CNC(=O)[C@@]1(C)CC[NH+](CC2(C[N@H+]3CC[C@](C)(C(=O)NC)C3)COC2)C1 ZINC000430261779 485364851 /nfs/dbraw/zinc/36/48/51/485364851.db2.gz VGMVHOHXOGAOCP-ROUUACIJSA-N 2 0 366.506 -0.081 20 0 FBADRP CNC(=O)[C@]1(C)CC[N@H+](CCOCC[NH+]2CC[C@](C)(C(=O)NC)C2)C1 ZINC000430268109 485364662 /nfs/dbraw/zinc/36/46/62/485364662.db2.gz IXWUEDLUULRNOG-HDICACEKSA-N 2 0 354.495 -0.081 20 0 FBADRP CNC(=O)[C@]1(C)CC[NH+](CCOCC[N@H+]2CC[C@@](C)(C(=O)NC)C2)C1 ZINC000430268263 485364797 /nfs/dbraw/zinc/36/47/97/485364797.db2.gz IXWUEDLUULRNOG-QZTJIDSGSA-N 2 0 354.495 -0.081 20 0 FBADRP CNC(=O)[C@@]1(C)CC[NH+](CCOCC[N@H+]2CC[C@](C)(C(=O)NC)C2)C1 ZINC000430268264 485365055 /nfs/dbraw/zinc/36/50/55/485365055.db2.gz IXWUEDLUULRNOG-ROUUACIJSA-N 2 0 354.495 -0.081 20 0 FBADRP Cn1c2ncn(CC[NH+]3CCC(OCCC[NH3+])CC3)c2c(=O)n(C)c1=O ZINC000430550766 485368394 /nfs/dbraw/zinc/36/83/94/485368394.db2.gz ZTBBFIMGKUOKHO-UHFFFAOYSA-N 2 0 364.450 -0.737 20 0 FBADRP CN(CCCNC(=O)C[NH+]1CCC(OCCC[NH3+])CC1)S(C)(=O)=O ZINC000430569465 485368045 /nfs/dbraw/zinc/36/80/45/485368045.db2.gz HTTUTGPIDFWZKB-UHFFFAOYSA-N 2 0 364.512 -0.786 20 0 FBADRP [NH3+]CCCOC1CC[NH+](CC(=O)N2CCN(C(=O)C3CC3)CC2)CC1 ZINC000430575649 485368382 /nfs/dbraw/zinc/36/83/82/485368382.db2.gz VYQWEPAHJSHDOA-UHFFFAOYSA-N 2 0 352.479 -0.103 20 0 FBADRP CC[NH2+]CC1CC[NH+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC000430582230 483903414 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0 367.475 -0.139 20 0 FBADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000430642882 483906110 /nfs/dbraw/zinc/90/61/10/483906110.db2.gz PTPWTOMQNJFYSH-JTQLQIEISA-N 2 0 367.372 -0.449 20 0 FBADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000430642883 483906736 /nfs/dbraw/zinc/90/67/36/483906736.db2.gz PTPWTOMQNJFYSH-SNVBAGLBSA-N 2 0 367.372 -0.449 20 0 FBADRP CCCNC(=O)CN(C)C(=O)C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430643562 483906384 /nfs/dbraw/zinc/90/63/84/483906384.db2.gz MEFPMACSTNFNPN-HNNXBMFYSA-N 2 0 367.494 -0.885 20 0 FBADRP CCCNC(=O)CN(C)C(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430643563 483906580 /nfs/dbraw/zinc/90/65/80/483906580.db2.gz MEFPMACSTNFNPN-OAHLLOKOSA-N 2 0 367.494 -0.885 20 0 FBADRP C[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)CC(=O)N1CC[NH2+]CC1 ZINC000430643696 483907070 /nfs/dbraw/zinc/90/70/70/483907070.db2.gz RUOIKHYAXYMZHZ-UHFFFAOYSA-N 2 0 353.345 -0.872 20 0 FBADRP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430646809 483907145 /nfs/dbraw/zinc/90/71/45/483907145.db2.gz FAGGUIJOUNGWNX-CHWSQXEVSA-N 2 0 351.451 -0.493 20 0 FBADRP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430646816 657441134 /nfs/dbraw/zinc/44/11/34/657441134.db2.gz FAGGUIJOUNGWNX-OLZOCXBDSA-N 2 0 351.451 -0.493 20 0 FBADRP C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430646825 657441307 /nfs/dbraw/zinc/44/13/07/657441307.db2.gz FAGGUIJOUNGWNX-QWHCGFSZSA-N 2 0 351.451 -0.493 20 0 FBADRP C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430646834 483906645 /nfs/dbraw/zinc/90/66/45/483906645.db2.gz FAGGUIJOUNGWNX-STQMWFEESA-N 2 0 351.451 -0.493 20 0 FBADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000430650602 483921225 /nfs/dbraw/zinc/92/12/25/483921225.db2.gz KOGMTUVRLZVPHU-INIZCTEOSA-N 3 0 365.522 -0.269 20 0 FBADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000430650604 483906914 /nfs/dbraw/zinc/90/69/14/483906914.db2.gz KOGMTUVRLZVPHU-MRXNPFEDSA-N 3 0 365.522 -0.269 20 0 FBADRP CC1(C)NC(=O)N(CC[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1=O ZINC000430651645 483906964 /nfs/dbraw/zinc/90/69/64/483906964.db2.gz WEQUVWNSNVRGHP-CYBMUJFWSA-N 2 0 351.451 -0.539 20 0 FBADRP CC1(C)NC(=O)N(CC[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1=O ZINC000430651646 483906298 /nfs/dbraw/zinc/90/62/98/483906298.db2.gz WEQUVWNSNVRGHP-ZDUSSCGKSA-N 2 0 351.451 -0.539 20 0 FBADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCO[C@@H]3CCCC[C@H]32)C1 ZINC000430652215 483906828 /nfs/dbraw/zinc/90/68/28/483906828.db2.gz NBSWCXDFMXNPBI-BZUAXINKSA-N 2 0 352.479 -0.057 20 0 FBADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCO[C@H]3CCCC[C@H]32)C1 ZINC000430652217 483906605 /nfs/dbraw/zinc/90/66/05/483906605.db2.gz NBSWCXDFMXNPBI-OAGGEKHMSA-N 2 0 352.479 -0.057 20 0 FBADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)C1 ZINC000430652219 483906669 /nfs/dbraw/zinc/90/66/69/483906669.db2.gz NBSWCXDFMXNPBI-OWCLPIDISA-N 2 0 352.479 -0.057 20 0 FBADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCO[C@H]3CCCC[C@@H]32)C1 ZINC000430652220 483906786 /nfs/dbraw/zinc/90/67/86/483906786.db2.gz NBSWCXDFMXNPBI-PMPSAXMXSA-N 2 0 352.479 -0.057 20 0 FBADRP NC(=O)c1ccc(NC(=O)CC[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000430652461 483907107 /nfs/dbraw/zinc/90/71/07/483907107.db2.gz XNUBOZVGIDOSKP-AWEZNQCLSA-N 2 0 361.446 -0.099 20 0 FBADRP NC(=O)c1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000430652462 483907034 /nfs/dbraw/zinc/90/70/34/483907034.db2.gz XNUBOZVGIDOSKP-CQSZACIVSA-N 2 0 361.446 -0.099 20 0 FBADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)NC[C@@H]2Cc3ccccc3O2)C1 ZINC000430656817 483906482 /nfs/dbraw/zinc/90/64/82/483906482.db2.gz VADIROBIOGGOTP-CVEARBPZSA-N 2 0 360.458 -0.107 20 0 FBADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC(=O)NC[C@@H]2Cc3ccccc3O2)C1 ZINC000430656818 483906857 /nfs/dbraw/zinc/90/68/57/483906857.db2.gz VADIROBIOGGOTP-HOTGVXAUSA-N 2 0 360.458 -0.107 20 0 FBADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)NC[C@H]2Cc3ccccc3O2)C1 ZINC000430656819 483906329 /nfs/dbraw/zinc/90/63/29/483906329.db2.gz VADIROBIOGGOTP-HZPDHXFCSA-N 2 0 360.458 -0.107 20 0 FBADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC(=O)NC[C@H]2Cc3ccccc3O2)C1 ZINC000430656820 483905975 /nfs/dbraw/zinc/90/59/75/483905975.db2.gz VADIROBIOGGOTP-JKSUJKDBSA-N 2 0 360.458 -0.107 20 0 FBADRP CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430671277 483906126 /nfs/dbraw/zinc/90/61/26/483906126.db2.gz XITKZLMNCOSKPU-KBPBESRZSA-N 2 0 353.467 -0.247 20 0 FBADRP CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430671278 483906839 /nfs/dbraw/zinc/90/68/39/483906839.db2.gz XITKZLMNCOSKPU-KGLIPLIRSA-N 2 0 353.467 -0.247 20 0 FBADRP CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430671279 483908311 /nfs/dbraw/zinc/90/83/11/483908311.db2.gz XITKZLMNCOSKPU-UONOGXRCSA-N 2 0 353.467 -0.247 20 0 FBADRP CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430671280 483908643 /nfs/dbraw/zinc/90/86/43/483908643.db2.gz XITKZLMNCOSKPU-ZIAGYGMSSA-N 2 0 353.467 -0.247 20 0 FBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C[NH2+]C[C@@H]2CCCO2)cn1 ZINC000430785785 483910471 /nfs/dbraw/zinc/91/04/71/483910471.db2.gz ZEMVAVKMBOBGAA-AWEZNQCLSA-N 2 0 352.439 -0.732 20 0 FBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C[NH2+]C[C@H]2CCCO2)cn1 ZINC000430785786 483910846 /nfs/dbraw/zinc/91/08/46/483910846.db2.gz ZEMVAVKMBOBGAA-CQSZACIVSA-N 2 0 352.439 -0.732 20 0 FBADRP COCC[C@@]1(C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CC[NH2+]C1 ZINC000430790316 483911231 /nfs/dbraw/zinc/91/12/31/483911231.db2.gz GRBOBMFWFQOIAM-KRWDZBQOSA-N 2 0 366.466 -0.484 20 0 FBADRP COCC[C@]1(C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CC[NH2+]C1 ZINC000430790317 483911040 /nfs/dbraw/zinc/91/10/40/483911040.db2.gz GRBOBMFWFQOIAM-QGZVFWFLSA-N 2 0 366.466 -0.484 20 0 FBADRP C[NH2+]CC1CC[NH+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000430930397 483913432 /nfs/dbraw/zinc/91/34/32/483913432.db2.gz AINBMQRNOCRSFG-UHFFFAOYSA-N 2 0 368.503 -0.076 20 0 FBADRP C[NH2+]C[C@@H]1CC[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000430964103 657472188 /nfs/dbraw/zinc/47/21/88/657472188.db2.gz XYGJIRAZCCJUDL-HNNXBMFYSA-N 2 0 368.503 -0.076 20 0 FBADRP C[NH2+]C[C@H]1CC[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000430964104 657472286 /nfs/dbraw/zinc/47/22/86/657472286.db2.gz XYGJIRAZCCJUDL-OAHLLOKOSA-N 2 0 368.503 -0.076 20 0 FBADRP O=C(C[C@H]1C[NH2+]CCO1)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000431002379 483916077 /nfs/dbraw/zinc/91/60/77/483916077.db2.gz MUHZUNFLPLISHP-INIZCTEOSA-N 2 0 362.478 -0.127 20 0 FBADRP O=C(C[C@@H]1C[NH2+]CCO1)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000431002553 483915931 /nfs/dbraw/zinc/91/59/31/483915931.db2.gz MUHZUNFLPLISHP-MRXNPFEDSA-N 2 0 362.478 -0.127 20 0 FBADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)C[C@H]3C[NH2+]CCO3)CC2)C1 ZINC000431012933 483916017 /nfs/dbraw/zinc/91/60/17/483916017.db2.gz HYYZMOBSRNBOMR-DLBZAZTESA-N 2 0 354.495 -0.382 20 0 FBADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)C[C@@H]3C[NH2+]CCO3)CC2)C1 ZINC000431012935 483916319 /nfs/dbraw/zinc/91/63/19/483916319.db2.gz HYYZMOBSRNBOMR-IAGOWNOFSA-N 2 0 354.495 -0.382 20 0 FBADRP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)C[C@H]3C[NH2+]CCO3)CC2)C1 ZINC000431012937 483915746 /nfs/dbraw/zinc/91/57/46/483915746.db2.gz HYYZMOBSRNBOMR-IRXDYDNUSA-N 2 0 354.495 -0.382 20 0 FBADRP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)C[C@@H]3C[NH2+]CCO3)CC2)C1 ZINC000431012939 483915552 /nfs/dbraw/zinc/91/55/52/483915552.db2.gz HYYZMOBSRNBOMR-SJORKVTESA-N 2 0 354.495 -0.382 20 0 FBADRP Cn1cnc2c1c(=O)n(CCC[NH+]1CCC3(CC[NH2+]C3)CC1)c(=O)n2C ZINC000431022738 483916444 /nfs/dbraw/zinc/91/64/44/483916444.db2.gz IRWQJAAZNHERTP-UHFFFAOYSA-N 2 0 360.462 -0.101 20 0 FBADRP O=C(CN1CCNCC1=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000431029759 483915968 /nfs/dbraw/zinc/91/59/68/483915968.db2.gz GGXNVSVQOMJHLH-UHFFFAOYSA-N 2 0 360.462 -0.858 20 0 FBADRP CN(C)C(=O)CN1CCN(C(=O)C[NH+]2CCC3(CC[NH2+]C3)CC2)CC1 ZINC000431045009 483915954 /nfs/dbraw/zinc/91/59/54/483915954.db2.gz ZTORQNCYRAQGEM-UHFFFAOYSA-N 2 0 351.495 -0.706 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000431929541 483940731 /nfs/dbraw/zinc/94/07/31/483940731.db2.gz ZAUAQJCVOBZQKX-INIZCTEOSA-N 2 0 368.526 -0.476 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000431929542 483939949 /nfs/dbraw/zinc/93/99/49/483939949.db2.gz ZAUAQJCVOBZQKX-MRXNPFEDSA-N 2 0 368.526 -0.476 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)NCC(=O)NCC[NH+]2CCCCCC2)C1 ZINC000431977416 483941833 /nfs/dbraw/zinc/94/18/33/483941833.db2.gz MKNIXOWOYXIZPF-INIZCTEOSA-N 2 0 369.510 -0.002 20 0 FBADRP COCC[N@@H+]1CC[C@@H](NC(=O)NCC(=O)NCC[NH+]2CCCCCC2)C1 ZINC000431977417 483942573 /nfs/dbraw/zinc/94/25/73/483942573.db2.gz MKNIXOWOYXIZPF-MRXNPFEDSA-N 2 0 369.510 -0.002 20 0 FBADRP COCC[N@H+](C)CCOc1cccc(CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)c1 ZINC000432532800 483959716 /nfs/dbraw/zinc/95/97/16/483959716.db2.gz VMJGRHFRFYJFSJ-DOTOQJQBSA-N 2 0 351.447 -0.017 20 0 FBADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)[C@H]3C[C@H](O)C[NH2+]3)c2)C1 ZINC000432537843 483959010 /nfs/dbraw/zinc/95/90/10/483959010.db2.gz XAKDVXWKMOCXBJ-IXDOHACOSA-N 2 0 360.458 -0.277 20 0 FBADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)[C@H]3C[C@H](O)C[NH2+]3)c2)C1 ZINC000432537845 483959498 /nfs/dbraw/zinc/95/94/98/483959498.db2.gz XAKDVXWKMOCXBJ-YESZJQIVSA-N 2 0 360.458 -0.277 20 0 FBADRP C[NH+](C)CCN1C[C@H](C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)CC1=O ZINC000432538358 483959400 /nfs/dbraw/zinc/95/94/00/483959400.db2.gz KYHVWUJPMCEKFY-CVEARBPZSA-N 2 0 354.495 -0.250 20 0 FBADRP C[NH+](C)CCN1C[C@@H](C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)CC1=O ZINC000432538359 483959463 /nfs/dbraw/zinc/95/94/63/483959463.db2.gz KYHVWUJPMCEKFY-HOTGVXAUSA-N 2 0 354.495 -0.250 20 0 FBADRP C[NH+](C)CCN1C[C@H](C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)CC1=O ZINC000432538360 483959437 /nfs/dbraw/zinc/95/94/37/483959437.db2.gz KYHVWUJPMCEKFY-HZPDHXFCSA-N 2 0 354.495 -0.250 20 0 FBADRP C[NH+](C)CCN1C[C@@H](C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)CC1=O ZINC000432538361 483959558 /nfs/dbraw/zinc/95/95/58/483959558.db2.gz KYHVWUJPMCEKFY-JKSUJKDBSA-N 2 0 354.495 -0.250 20 0 FBADRP COc1cc(C[NH+]2C[C@@H](O)C[C@H]2CO)cc(C[N@@H+]2C[C@@H](O)C[C@H]2CO)c1 ZINC000432794263 483964816 /nfs/dbraw/zinc/96/48/16/483964816.db2.gz AJXXPVQXVCIHMM-XSLAGTTESA-N 2 0 366.458 -0.450 20 0 FBADRP CC(C)NC(=O)C(=O)N1CCN(C(=O)CCC[NH+]2CCC([NH3+])CC2)CC1 ZINC000433112815 483970602 /nfs/dbraw/zinc/97/06/02/483970602.db2.gz AOQKFMXVUKNPCD-UHFFFAOYSA-N 2 0 367.494 -0.615 20 0 FBADRP CN(C)C(=O)CCN1CCN(C(=O)CCC[NH+]2CCC([NH3+])CC2)CC1 ZINC000433119942 483971496 /nfs/dbraw/zinc/97/14/96/483971496.db2.gz WZMUODLTBMFDON-UHFFFAOYSA-N 2 0 353.511 -0.188 20 0 FBADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)CC1 ZINC000433130940 483970567 /nfs/dbraw/zinc/97/05/67/483970567.db2.gz SXEBYCYFODPCOZ-UHFFFAOYSA-N 2 0 365.478 -0.861 20 0 FBADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCN(CC(=O)N3CCCC3)CC2)CC1 ZINC000433145793 483971389 /nfs/dbraw/zinc/97/13/89/483971389.db2.gz IVPGKFWORQTHKV-UHFFFAOYSA-N 2 0 365.522 -0.044 20 0 FBADRP CC(C)NC(=O)CN1CCN(C(=O)CCC[NH+]2CCC([NH3+])CC2)CC1 ZINC000433146792 483970985 /nfs/dbraw/zinc/97/09/85/483970985.db2.gz MKJXUMXYVLODDY-UHFFFAOYSA-N 2 0 353.511 -0.142 20 0 FBADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCN(CC(=O)NC3CC3)CC2)CC1 ZINC000433152525 483971550 /nfs/dbraw/zinc/97/15/50/483971550.db2.gz MJCLWYGMXIONPN-UHFFFAOYSA-N 2 0 351.495 -0.388 20 0 FBADRP Nc1nsc(N2CCN(C(=O)CCC[NH+]3CCC([NH3+])CC3)CC2)n1 ZINC000433154401 484552813 /nfs/dbraw/zinc/55/28/13/484552813.db2.gz TUGDPGHEELJQEQ-UHFFFAOYSA-N 2 0 353.496 -0.028 20 0 FBADRP COCCNC(=O)CN1CCN(C(=O)CCC[NH+]2CCC([NH3+])CC2)CC1 ZINC000433156051 483971003 /nfs/dbraw/zinc/97/10/03/483971003.db2.gz HSQMEMGRQYHHDK-UHFFFAOYSA-N 2 0 369.510 -0.904 20 0 FBADRP [NH3+]C1CC[NH+](CCCC(=O)Nc2ccn(CCN3CCOCC3)n2)CC1 ZINC000433160435 484204349 /nfs/dbraw/zinc/20/43/49/484204349.db2.gz OKJBTURXYNOAAH-UHFFFAOYSA-N 2 0 364.494 0.357 20 0 FBADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000433160990 483971283 /nfs/dbraw/zinc/97/12/83/483971283.db2.gz JAJLSBGKQMOKOR-UHFFFAOYSA-N 3 0 365.522 -0.044 20 0 FBADRP Cn1c2ncc(NC(=O)CCC[NH+]3CCC([NH3+])CC3)cc2c(=O)n(C)c1=O ZINC000433162533 485050056 /nfs/dbraw/zinc/05/00/56/485050056.db2.gz MOCKQIWWBIOCNM-UHFFFAOYSA-N 2 0 374.445 -0.226 20 0 FBADRP COCCNC(=O)Cn1cc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)cn1 ZINC000433167418 483971193 /nfs/dbraw/zinc/97/11/93/483971193.db2.gz IVHKDUPCNHUCFX-UHFFFAOYSA-N 2 0 366.466 -0.213 20 0 FBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)CCC[NH+]2CCC([NH3+])CC2)C1 ZINC000433173227 483970342 /nfs/dbraw/zinc/97/03/42/483970342.db2.gz FXACIPQTEBHFHN-HNNXBMFYSA-N 3 0 353.511 -0.107 20 0 FBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)CCC[NH+]2CCC([NH3+])CC2)C1 ZINC000433173232 483971074 /nfs/dbraw/zinc/97/10/74/483971074.db2.gz FXACIPQTEBHFHN-OAHLLOKOSA-N 3 0 353.511 -0.107 20 0 FBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)C1 ZINC000433383297 483976889 /nfs/dbraw/zinc/97/68/89/483976889.db2.gz HESRJGVALAEGCP-KBPBESRZSA-N 2 0 363.466 -0.480 20 0 FBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)C1 ZINC000433383301 483976977 /nfs/dbraw/zinc/97/69/77/483976977.db2.gz HESRJGVALAEGCP-KGLIPLIRSA-N 2 0 363.466 -0.480 20 0 FBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)C1 ZINC000433383303 483975983 /nfs/dbraw/zinc/97/59/83/483975983.db2.gz HESRJGVALAEGCP-UONOGXRCSA-N 2 0 363.466 -0.480 20 0 FBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)C1 ZINC000433383305 483976469 /nfs/dbraw/zinc/97/64/69/483976469.db2.gz HESRJGVALAEGCP-ZIAGYGMSSA-N 2 0 363.466 -0.480 20 0 FBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCC1(N2CCOCC2)CC1 ZINC000433926463 483991904 /nfs/dbraw/zinc/99/19/04/483991904.db2.gz ZORHSIIMTDLXSE-AWEZNQCLSA-N 2 0 353.467 -0.510 20 0 FBADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCC1(N2CCOCC2)CC1 ZINC000433926464 483991601 /nfs/dbraw/zinc/99/16/01/483991601.db2.gz ZORHSIIMTDLXSE-CQSZACIVSA-N 2 0 353.467 -0.510 20 0 FBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)n1 ZINC000434555740 484099333 /nfs/dbraw/zinc/09/93/33/484099333.db2.gz INXSOKVTXCNFHV-HNNXBMFYSA-N 2 0 362.478 0.516 20 0 FBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)n1 ZINC000434555743 484101379 /nfs/dbraw/zinc/10/13/79/484101379.db2.gz INXSOKVTXCNFHV-OAHLLOKOSA-N 2 0 362.478 0.516 20 0 FBADRP C[C@H]([NH3+])CCC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000434679295 484021740 /nfs/dbraw/zinc/02/17/40/484021740.db2.gz NYILFKWRQUOQHV-AWEZNQCLSA-N 2 0 369.491 -0.223 20 0 FBADRP CC[NH+]1CCC(NC(=O)CN2CCCC[C@H]2CNC(=O)CC[NH3+])CC1 ZINC000436057102 484069520 /nfs/dbraw/zinc/06/95/20/484069520.db2.gz UTQDKUSMSXSBME-INIZCTEOSA-N 2 0 353.511 -0.094 20 0 FBADRP CC[NH+]1CCC(NC(=O)CN2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1 ZINC000436057103 484068502 /nfs/dbraw/zinc/06/85/02/484068502.db2.gz UTQDKUSMSXSBME-MRXNPFEDSA-N 2 0 353.511 -0.094 20 0 FBADRP CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000436065687 484070705 /nfs/dbraw/zinc/07/07/05/484070705.db2.gz PFAIUMWGMVCQJE-CABCVRRESA-N 2 0 360.524 -0.023 20 0 FBADRP CS(=O)(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000436065688 484071566 /nfs/dbraw/zinc/07/15/66/484071566.db2.gz PFAIUMWGMVCQJE-GJZGRUSLSA-N 2 0 360.524 -0.023 20 0 FBADRP CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000436065689 484071066 /nfs/dbraw/zinc/07/10/66/484071066.db2.gz PFAIUMWGMVCQJE-HUUCEWRRSA-N 2 0 360.524 -0.023 20 0 FBADRP CS(=O)(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000436065690 484071322 /nfs/dbraw/zinc/07/13/22/484071322.db2.gz PFAIUMWGMVCQJE-LSDHHAIUSA-N 2 0 360.524 -0.023 20 0 FBADRP COCC(C)(C)[NH2+]CC(=O)N1CCN(C(=O)C[NH2+]C(C)(C)COC)CC1 ZINC000436089644 484070824 /nfs/dbraw/zinc/07/08/24/484070824.db2.gz CLDDFKTZJWZVBX-UHFFFAOYSA-N 2 0 372.510 -0.314 20 0 FBADRP CN1CCN(CC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1=O ZINC000436239499 484073554 /nfs/dbraw/zinc/07/35/54/484073554.db2.gz GTJMPRZEVPXISQ-UHFFFAOYSA-N 2 0 374.489 -0.516 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CN1CCN(C)C(=O)C1 ZINC000436364615 484074655 /nfs/dbraw/zinc/07/46/55/484074655.db2.gz OKOLSJFMGAVSEV-INIZCTEOSA-N 2 0 353.511 -0.365 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CN1CCN(C)C(=O)C1 ZINC000436364616 484075290 /nfs/dbraw/zinc/07/52/90/484075290.db2.gz OKOLSJFMGAVSEV-MRXNPFEDSA-N 2 0 353.511 -0.365 20 0 FBADRP Nc1noc(CCNC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000438005565 484549872 /nfs/dbraw/zinc/54/98/72/484549872.db2.gz VZUBYRMRBZJUIY-UHFFFAOYSA-N 2 0 374.449 0.101 20 0 FBADRP C[NH+](C)CCn1ccc(NC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)n1 ZINC000438702847 484107047 /nfs/dbraw/zinc/10/70/47/484107047.db2.gz BWRYOIXHRDCWKV-AWEZNQCLSA-N 2 0 365.482 0.154 20 0 FBADRP C[NH+](C)CCn1ccc(NC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)n1 ZINC000438702852 484107112 /nfs/dbraw/zinc/10/71/12/484107112.db2.gz BWRYOIXHRDCWKV-CQSZACIVSA-N 2 0 365.482 0.154 20 0 FBADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000438774137 484473822 /nfs/dbraw/zinc/47/38/22/484473822.db2.gz IYXSXGSNLAQDRJ-AWEZNQCLSA-N 2 0 364.494 0.572 20 0 FBADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000438774139 484113996 /nfs/dbraw/zinc/11/39/96/484113996.db2.gz IYXSXGSNLAQDRJ-CQSZACIVSA-N 2 0 364.494 0.572 20 0 FBADRP OCC[NH+]1CCCN(c2cncc(N3CCC[N@@H+](CCO)CC3)n2)CC1 ZINC000439159015 484120799 /nfs/dbraw/zinc/12/07/99/484120799.db2.gz XASXQFAKZWRPRK-UHFFFAOYSA-N 2 0 364.494 -0.515 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)NCC(=O)N(C)C ZINC000439216478 484122689 /nfs/dbraw/zinc/12/26/89/484122689.db2.gz PCHXZNAIILXDBC-AWEZNQCLSA-N 2 0 355.483 -0.935 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)NCC(=O)N(C)C ZINC000439216483 484123003 /nfs/dbraw/zinc/12/30/03/484123003.db2.gz PCHXZNAIILXDBC-CQSZACIVSA-N 2 0 355.483 -0.935 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCS(=O)(=O)NC ZINC000439838419 484138798 /nfs/dbraw/zinc/13/87/98/484138798.db2.gz BRXXTBBNJOKUAG-AWEZNQCLSA-N 2 0 363.528 -0.407 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCS(=O)(=O)NC ZINC000439838420 484139629 /nfs/dbraw/zinc/13/96/29/484139629.db2.gz BRXXTBBNJOKUAG-CQSZACIVSA-N 2 0 363.528 -0.407 20 0 FBADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000440253435 484095641 /nfs/dbraw/zinc/09/56/41/484095641.db2.gz HFYQBJKUPWKDRG-UHFFFAOYSA-N 2 0 350.467 0.328 20 0 FBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000440979176 484180672 /nfs/dbraw/zinc/18/06/72/484180672.db2.gz CQARZDMVDVBGEQ-INIZCTEOSA-N 2 0 354.543 -0.053 20 0 FBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000440979177 484180375 /nfs/dbraw/zinc/18/03/75/484180375.db2.gz CQARZDMVDVBGEQ-MRXNPFEDSA-N 2 0 354.543 -0.053 20 0 FBADRP C[N@@H+]1CCN(CCNC(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)CC1(C)C ZINC000440993674 484181425 /nfs/dbraw/zinc/18/14/25/484181425.db2.gz RKDVVGSQLYYQPD-HNNXBMFYSA-N 2 0 368.526 -0.349 20 0 FBADRP C[N@@H+]1CCN(CCNC(=O)NCCC[NH+]2CCC[C@@H]2C(N)=O)CC1(C)C ZINC000440993675 484182002 /nfs/dbraw/zinc/18/20/02/484182002.db2.gz RKDVVGSQLYYQPD-OAHLLOKOSA-N 2 0 368.526 -0.349 20 0 FBADRP C[NH+](C)CCN1C[C@@H](C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1=O ZINC000442900281 484232635 /nfs/dbraw/zinc/23/26/35/484232635.db2.gz RNVRDZRVIHKJCB-HNNXBMFYSA-N 2 0 353.511 -0.461 20 0 FBADRP C[NH+](C)CCN1C[C@H](C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1=O ZINC000442900282 484232610 /nfs/dbraw/zinc/23/26/10/484232610.db2.gz RNVRDZRVIHKJCB-OAHLLOKOSA-N 2 0 353.511 -0.461 20 0 FBADRP CN(CC[NH+](C)C)S(=O)(=O)CCCS(=O)(=O)N(C)CC[NH+](C)C ZINC000443008050 484235536 /nfs/dbraw/zinc/23/55/36/484235536.db2.gz DHHRDIRNIXPDPS-UHFFFAOYSA-N 2 0 372.557 -0.977 20 0 FBADRP [NH3+]CC[C@H]1CCCN(CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000443078618 484239864 /nfs/dbraw/zinc/23/98/64/484239864.db2.gz XEBHDPDXZWAWHC-CVEARBPZSA-N 2 0 372.535 -0.622 20 0 FBADRP [NH3+]CC[C@@H]1CCCN(CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000443078619 484239899 /nfs/dbraw/zinc/23/98/99/484239899.db2.gz XEBHDPDXZWAWHC-HOTGVXAUSA-N 2 0 372.535 -0.622 20 0 FBADRP [NH3+]CC[C@H]1CCCN(CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000443078620 484240258 /nfs/dbraw/zinc/24/02/58/484240258.db2.gz XEBHDPDXZWAWHC-HZPDHXFCSA-N 2 0 372.535 -0.622 20 0 FBADRP [NH3+]CC[C@@H]1CCCN(CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000443078622 484239848 /nfs/dbraw/zinc/23/98/48/484239848.db2.gz XEBHDPDXZWAWHC-JKSUJKDBSA-N 2 0 372.535 -0.622 20 0 FBADRP C[N@@H+]1CCN(CCNS(=O)(=O)CCCN2CCOCC2)CC1(C)C ZINC000443091766 484239914 /nfs/dbraw/zinc/23/99/14/484239914.db2.gz ISYATMJGXIPXGL-UHFFFAOYSA-N 2 0 362.540 -0.346 20 0 FBADRP C[C@@H](CNc1nc(NC[C@H](C)[NH+](C)C)nc(N2CCOCC2)n1)[NH+](C)C ZINC000443444015 484255593 /nfs/dbraw/zinc/25/55/93/484255593.db2.gz OEVOMOBCUOGYSE-KBPBESRZSA-N 2 0 366.514 -0.724 20 0 FBADRP C[C@H](CNc1nc(NC[C@H](C)[NH+](C)C)nc(N2CCOCC2)n1)[NH+](C)C ZINC000443444024 484256395 /nfs/dbraw/zinc/25/63/95/484256395.db2.gz OEVOMOBCUOGYSE-OKILXGFUSA-N 2 0 366.514 -0.724 20 0 FBADRP C[C@H](CNc1nc(NC[C@@H](C)[NH+](C)C)nc(N2CCOCC2)n1)[NH+](C)C ZINC000443444027 484256258 /nfs/dbraw/zinc/25/62/58/484256258.db2.gz OEVOMOBCUOGYSE-ZIAGYGMSSA-N 2 0 366.514 -0.724 20 0 FBADRP Cc1cnc(NC[C@@](C)(O)C[NH+](C)C)nc1NC[C@](C)(O)C[NH+](C)C ZINC000443713039 484442592 /nfs/dbraw/zinc/44/25/92/484442592.db2.gz VQTJJIFVCIQZRM-DLBZAZTESA-N 2 0 354.499 0.234 20 0 FBADRP Cc1cnc(NC[C@@](C)(O)C[NH+](C)C)nc1NC[C@@](C)(O)C[NH+](C)C ZINC000443713044 484441839 /nfs/dbraw/zinc/44/18/39/484441839.db2.gz VQTJJIFVCIQZRM-IAGOWNOFSA-N 2 0 354.499 0.234 20 0 FBADRP Cc1cnc(NC[C@](C)(O)C[NH+](C)C)nc1NC[C@](C)(O)C[NH+](C)C ZINC000443713045 484442693 /nfs/dbraw/zinc/44/26/93/484442693.db2.gz VQTJJIFVCIQZRM-IRXDYDNUSA-N 2 0 354.499 0.234 20 0 FBADRP Cc1cnc(NC[C@](C)(O)C[NH+](C)C)nc1NC[C@@](C)(O)C[NH+](C)C ZINC000443713047 484442221 /nfs/dbraw/zinc/44/22/21/484442221.db2.gz VQTJJIFVCIQZRM-SJORKVTESA-N 2 0 354.499 0.234 20 0 FBADRP C[C@H](O)CC[NH+](C)CC(=O)N1CCN(C(=O)C[N@@H+](C)CC[C@H](C)O)CC1 ZINC000444184527 484281169 /nfs/dbraw/zinc/28/11/69/484281169.db2.gz OKUONJPZHHPWIJ-HOTGVXAUSA-N 2 0 372.510 -0.937 20 0 FBADRP C[C@@H](O)CC[NH+](C)CC(=O)N1CCN(C(=O)C[N@@H+](C)CC[C@@H](C)O)CC1 ZINC000444184529 484280844 /nfs/dbraw/zinc/28/08/44/484280844.db2.gz OKUONJPZHHPWIJ-HZPDHXFCSA-N 2 0 372.510 -0.937 20 0 FBADRP C[C@@H](O)CC[N@H+](C)CC(=O)N1CCN(C(=O)C[NH+](C)CC[C@H](C)O)CC1 ZINC000444184531 484281351 /nfs/dbraw/zinc/28/13/51/484281351.db2.gz OKUONJPZHHPWIJ-IYBDPMFKSA-N 2 0 372.510 -0.937 20 0 FBADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000444309689 484285689 /nfs/dbraw/zinc/28/56/89/484285689.db2.gz OXMXPGXUCWADAD-CABCVRRESA-N 2 0 369.510 -0.187 20 0 FBADRP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000444309692 484285359 /nfs/dbraw/zinc/28/53/59/484285359.db2.gz OXMXPGXUCWADAD-GJZGRUSLSA-N 2 0 369.510 -0.187 20 0 FBADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCC[NH+]1CCC[C@@H]1C(N)=O ZINC000444309695 484285557 /nfs/dbraw/zinc/28/55/57/484285557.db2.gz OXMXPGXUCWADAD-HUUCEWRRSA-N 2 0 369.510 -0.187 20 0 FBADRP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCC[NH+]1CCC[C@@H]1C(N)=O ZINC000444309698 484286117 /nfs/dbraw/zinc/28/61/17/484286117.db2.gz OXMXPGXUCWADAD-LSDHHAIUSA-N 2 0 369.510 -0.187 20 0 FBADRP C[NH+](CCOCC[N@@H+](C)CC1(O)CCOCC1)CC1(O)CCOCC1 ZINC000444752096 484297633 /nfs/dbraw/zinc/29/76/33/484297633.db2.gz HHUYYMDLHPGTQV-UHFFFAOYSA-N 2 0 360.495 -0.050 20 0 FBADRP OCC[NH+](CC1(C[N@@H+](CCO)C2CCOCC2)COC1)C1CCOCC1 ZINC000444759143 484296377 /nfs/dbraw/zinc/29/63/77/484296377.db2.gz FIUZDVVQCLDADN-UHFFFAOYSA-N 2 0 372.506 -0.050 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](CCO)C2CCOCC2)C1 ZINC000444769088 484298310 /nfs/dbraw/zinc/29/83/10/484298310.db2.gz HHFJJEXFFXVFNR-KRWDZBQOSA-N 2 0 357.495 -0.067 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](CCO)C2CCOCC2)C1 ZINC000444769089 484299556 /nfs/dbraw/zinc/29/95/56/484299556.db2.gz HHFJJEXFFXVFNR-QGZVFWFLSA-N 2 0 357.495 -0.067 20 0 FBADRP COCC[N@H+](C)CCNC(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000445515584 484305502 /nfs/dbraw/zinc/30/55/02/484305502.db2.gz MSZCDNGCHVBOAE-INIZCTEOSA-N 2 0 369.510 -0.097 20 0 FBADRP COCC[N@H+](C)CCNC(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC000445515585 484305202 /nfs/dbraw/zinc/30/52/02/484305202.db2.gz MSZCDNGCHVBOAE-MRXNPFEDSA-N 2 0 369.510 -0.097 20 0 FBADRP CNc1nc(NCC2([NH+](C)C)CCC2)nc(NCC2([NH+](C)C)CCC2)n1 ZINC000445609046 484305933 /nfs/dbraw/zinc/30/59/33/484305933.db2.gz QRQYPSRQNAUEFQ-UHFFFAOYSA-N 2 0 362.526 -0.029 20 0 FBADRP O=C(NCC[N@@H+]1CCCOCC1)Nc1ccn(CCN2CCOCC2)n1 ZINC000446191711 484256375 /nfs/dbraw/zinc/25/63/75/484256375.db2.gz KJGKISHSNFKWLX-UHFFFAOYSA-N 2 0 366.466 0.059 20 0 FBADRP O=C(NCCN1CCCOCC1)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000446240570 484255958 /nfs/dbraw/zinc/25/59/58/484255958.db2.gz FLIMXVRQPSHSTD-UHFFFAOYSA-N 2 0 358.402 0.044 20 0 FBADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000446366913 484319108 /nfs/dbraw/zinc/31/91/08/484319108.db2.gz OZIUNFNNGKEDLC-FLTUCWPJSA-N 2 0 352.479 -0.025 20 0 FBADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000446366914 484318238 /nfs/dbraw/zinc/31/82/38/484318238.db2.gz OZIUNFNNGKEDLC-HNSFDTNUSA-N 2 0 352.479 -0.025 20 0 FBADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000446366915 484319242 /nfs/dbraw/zinc/31/92/42/484319242.db2.gz OZIUNFNNGKEDLC-LWGWVAHUSA-N 2 0 352.479 -0.025 20 0 FBADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000446366916 484318712 /nfs/dbraw/zinc/31/87/12/484318712.db2.gz OZIUNFNNGKEDLC-UYAYXHRUSA-N 2 0 352.479 -0.025 20 0 FBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCC[N@@H+]2CCCOCC2)CC1 ZINC000446600415 484322962 /nfs/dbraw/zinc/32/29/62/484322962.db2.gz KGXDYMHKWIFUFA-UHFFFAOYSA-N 2 0 369.510 -0.049 20 0 FBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NCC[NH+]2CCCOCC2)C1 ZINC000446689228 484325120 /nfs/dbraw/zinc/32/51/20/484325120.db2.gz SVCJQKYUDQIIOX-HNNXBMFYSA-N 2 0 355.483 -0.405 20 0 FBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NCC[NH+]2CCCOCC2)C1 ZINC000446689234 484325177 /nfs/dbraw/zinc/32/51/77/484325177.db2.gz SVCJQKYUDQIIOX-OAHLLOKOSA-N 2 0 355.483 -0.405 20 0 FBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)n1 ZINC000446742736 484101855 /nfs/dbraw/zinc/10/18/55/484101855.db2.gz BTZZJJOFBYQANK-INIZCTEOSA-N 2 0 368.507 -0.063 20 0 FBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)n1 ZINC000446742737 484102046 /nfs/dbraw/zinc/10/20/46/484102046.db2.gz BTZZJJOFBYQANK-MRXNPFEDSA-N 2 0 368.507 -0.063 20 0 FBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000446778576 484321466 /nfs/dbraw/zinc/32/14/66/484321466.db2.gz XMDCKMZYXVBFHT-AWEZNQCLSA-N 2 0 366.466 -0.390 20 0 FBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000446778578 484321555 /nfs/dbraw/zinc/32/15/55/484321555.db2.gz XMDCKMZYXVBFHT-CQSZACIVSA-N 2 0 366.466 -0.390 20 0 FBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)NCCC2CC[NH+](C)CC2)n1 ZINC000446784663 484099276 /nfs/dbraw/zinc/09/92/76/484099276.db2.gz KFHMSKXLZPCZDL-UHFFFAOYSA-N 2 0 350.467 0.231 20 0 FBADRP CO[C@H](C[NH3+])CC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000447451719 484346219 /nfs/dbraw/zinc/34/62/19/484346219.db2.gz SHKJDSTXPOVSEF-HNNXBMFYSA-N 2 0 350.467 -0.141 20 0 FBADRP CO[C@@H](C[NH3+])CC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000447451736 484346160 /nfs/dbraw/zinc/34/61/60/484346160.db2.gz SHKJDSTXPOVSEF-OAHLLOKOSA-N 2 0 350.467 -0.141 20 0 FBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)n1 ZINC000448496219 484099932 /nfs/dbraw/zinc/09/99/32/484099932.db2.gz NSDZPXFEOURUDI-UHFFFAOYSA-N 2 0 362.478 0.374 20 0 FBADRP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000448499815 484304654 /nfs/dbraw/zinc/30/46/54/484304654.db2.gz VHUADDNDGUFGFQ-AWEZNQCLSA-N 2 0 350.467 0.231 20 0 FBADRP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000448499816 484304187 /nfs/dbraw/zinc/30/41/87/484304187.db2.gz VHUADDNDGUFGFQ-CQSZACIVSA-N 2 0 350.467 0.231 20 0 FBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCC(C[NH+](C)C)CC2)n1 ZINC000448507222 484097826 /nfs/dbraw/zinc/09/78/26/484097826.db2.gz FLXICNQFTUMFQA-UHFFFAOYSA-N 2 0 350.467 0.183 20 0 FBADRP CC(C)[NH+]1CCC(NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000448533396 484200552 /nfs/dbraw/zinc/20/05/52/484200552.db2.gz VKZFRFZAUJRJFC-UHFFFAOYSA-N 2 0 350.467 0.372 20 0 FBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)NCC2([NH+](C)C)CCCC2)n1 ZINC000448534028 484099189 /nfs/dbraw/zinc/09/91/89/484099189.db2.gz BTYOBILTJJBWKH-UHFFFAOYSA-N 2 0 350.467 0.374 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H]2C[NH2+]CCCO2)CC1=O ZINC000449710686 484367246 /nfs/dbraw/zinc/36/72/46/484367246.db2.gz MXVMCCAJKYBHIT-ARFHVFGLSA-N 2 0 352.479 -0.186 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H]2C[NH2+]CCCO2)CC1=O ZINC000449710687 484366971 /nfs/dbraw/zinc/36/69/71/484366971.db2.gz MXVMCCAJKYBHIT-BZUAXINKSA-N 2 0 352.479 -0.186 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1=O ZINC000449710688 484367763 /nfs/dbraw/zinc/36/77/63/484367763.db2.gz MXVMCCAJKYBHIT-OAGGEKHMSA-N 2 0 352.479 -0.186 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1=O ZINC000449710689 484367465 /nfs/dbraw/zinc/36/74/65/484367465.db2.gz MXVMCCAJKYBHIT-XHSDSOJGSA-N 2 0 352.479 -0.186 20 0 FBADRP CNc1nc(N2C[C@@H]3CC[NH+](C)[C@@H]3C2)nc(N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)n1 ZINC000450781788 484374405 /nfs/dbraw/zinc/37/44/05/484374405.db2.gz UTODRCNOKXPDSB-BYNSBNAKSA-N 2 0 358.494 -0.384 20 0 FBADRP C[C@H]1C[NH+](CCO)CCN1c1cc(N2CC[N@@H+](CCO)C[C@@H]2C)ncn1 ZINC000450952547 484377907 /nfs/dbraw/zinc/37/79/07/484377907.db2.gz IIZRCDHSJFELDH-HOTGVXAUSA-N 2 0 364.494 -0.518 20 0 FBADRP C[C@@H]1C[NH+](CCO)CCN1c1cc(N2CC[N@@H+](CCO)C[C@H]2C)ncn1 ZINC000450952548 484378798 /nfs/dbraw/zinc/37/87/98/484378798.db2.gz IIZRCDHSJFELDH-HZPDHXFCSA-N 2 0 364.494 -0.518 20 0 FBADRP C[C@H]1C[NH+](CCO)CCN1c1cncc(N2CC[N@@H+](CCO)C[C@@H]2C)n1 ZINC000450953486 484378586 /nfs/dbraw/zinc/37/85/86/484378586.db2.gz LGHNZYOBUOZTGO-HOTGVXAUSA-N 2 0 364.494 -0.518 20 0 FBADRP C[C@@H]1C[NH+](CCO)CCN1c1cncc(N2CC[N@@H+](CCO)C[C@H]2C)n1 ZINC000450953487 484378662 /nfs/dbraw/zinc/37/86/62/484378662.db2.gz LGHNZYOBUOZTGO-HZPDHXFCSA-N 2 0 364.494 -0.518 20 0 FBADRP C[C@@H](CNS(=O)(=O)CCCS(=O)(=O)NC[C@H](C)[NH+](C)C)[NH+](C)C ZINC000451931535 484403705 /nfs/dbraw/zinc/40/37/05/484403705.db2.gz OXMPGJVHCSOODA-STQMWFEESA-N 2 0 372.557 -0.885 20 0 FBADRP CCCNC(=O)CN(C)C(=O)C[NH2+]C(C)(C)CN1CC[NH+](CC)CC1 ZINC000451985656 484403653 /nfs/dbraw/zinc/40/36/53/484403653.db2.gz MQKSWPFPQABNPZ-UHFFFAOYSA-N 2 0 355.527 -0.023 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC[N@@H+](C2CC2)C1 ZINC000453767178 484491811 /nfs/dbraw/zinc/49/18/11/484491811.db2.gz IUEUYZQGRBBCNT-AWEZNQCLSA-N 2 0 362.478 0.326 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC[N@@H+](C2CC2)C1 ZINC000453767199 484155708 /nfs/dbraw/zinc/15/57/08/484155708.db2.gz IUEUYZQGRBBCNT-CQSZACIVSA-N 2 0 362.478 0.326 20 0 FBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)NCC[N@@H+]2CCCC2(C)C)n1 ZINC000454069741 484099977 /nfs/dbraw/zinc/09/99/77/484099977.db2.gz NQRXJBFZUXVMQV-UHFFFAOYSA-N 2 0 350.467 0.374 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCC[NH+]2CCC(O)CC2)CC1=O ZINC000456590660 484452654 /nfs/dbraw/zinc/45/26/54/484452654.db2.gz TUFLBTUDOYDFDQ-CVEARBPZSA-N 2 0 366.506 -0.108 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCC[NH+]2CCC(O)CC2)CC1=O ZINC000456590662 484452197 /nfs/dbraw/zinc/45/21/97/484452197.db2.gz TUFLBTUDOYDFDQ-HOTGVXAUSA-N 2 0 366.506 -0.108 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC[NH+]2CCC(O)CC2)CC1=O ZINC000456590663 484452489 /nfs/dbraw/zinc/45/24/89/484452489.db2.gz TUFLBTUDOYDFDQ-HZPDHXFCSA-N 2 0 366.506 -0.108 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC[NH+]2CCC(O)CC2)CC1=O ZINC000456590665 484452608 /nfs/dbraw/zinc/45/26/08/484452608.db2.gz TUFLBTUDOYDFDQ-JKSUJKDBSA-N 2 0 366.506 -0.108 20 0 FBADRP CC[NH+]1CCN(CC(C)(C)NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000456904192 484453510 /nfs/dbraw/zinc/45/35/10/484453510.db2.gz SDAPEIATBCCUOE-INIZCTEOSA-N 2 0 367.538 -0.071 20 0 FBADRP CC[NH+]1CCN(CC(C)(C)NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000456904194 484454125 /nfs/dbraw/zinc/45/41/25/484454125.db2.gz SDAPEIATBCCUOE-MRXNPFEDSA-N 2 0 367.538 -0.071 20 0 FBADRP C[C@@H](O)[C@@H](CO)NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000458103834 484471753 /nfs/dbraw/zinc/47/17/53/484471753.db2.gz KVMWRJXLWFGINR-GDBMZVCRSA-N 2 0 351.451 -0.365 20 0 FBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NC[C@@H]2CCCC[NH+]2CCO)C1 ZINC000458432312 484477340 /nfs/dbraw/zinc/47/73/40/484477340.db2.gz QALMBOLJBHRYHN-CVEARBPZSA-N 2 0 369.510 -0.280 20 0 FBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NC[C@@H]2CCCC[NH+]2CCO)C1 ZINC000458432325 484478021 /nfs/dbraw/zinc/47/80/21/484478021.db2.gz QALMBOLJBHRYHN-HOTGVXAUSA-N 2 0 369.510 -0.280 20 0 FBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NC[C@H]2CCCC[NH+]2CCO)C1 ZINC000458432327 484478088 /nfs/dbraw/zinc/47/80/88/484478088.db2.gz QALMBOLJBHRYHN-HZPDHXFCSA-N 2 0 369.510 -0.280 20 0 FBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NC[C@H]2CCCC[NH+]2CCO)C1 ZINC000458432331 484477876 /nfs/dbraw/zinc/47/78/76/484477876.db2.gz QALMBOLJBHRYHN-JKSUJKDBSA-N 2 0 369.510 -0.280 20 0 FBADRP C[C@@H]1CN(C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C[C@H](C)[N@H+]1CCO ZINC000458449845 484477786 /nfs/dbraw/zinc/47/77/86/484477786.db2.gz YXGLDNUIOATVBW-OWCLPIDISA-N 2 0 369.510 -0.330 20 0 FBADRP C[C@@H]1CN(C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C[C@H](C)[N@H+]1CCO ZINC000458449846 484477277 /nfs/dbraw/zinc/47/72/77/484477277.db2.gz YXGLDNUIOATVBW-XHSDSOJGSA-N 2 0 369.510 -0.330 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCC[N@@H+]2CCCOCC2)CC1 ZINC000458851066 484481734 /nfs/dbraw/zinc/48/17/34/484481734.db2.gz UTAMVTDHGIKIGQ-UHFFFAOYSA-N 2 0 369.510 -0.096 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N(C)CC[NH+](C)C)CC1 ZINC000459895124 484507480 /nfs/dbraw/zinc/50/74/80/484507480.db2.gz JGNVSNFJFFEPHU-UHFFFAOYSA-N 2 0 355.483 -0.981 20 0 FBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000459899294 484507509 /nfs/dbraw/zinc/50/75/09/484507509.db2.gz QDMVYPFCIFTOSD-INIZCTEOSA-N 2 0 353.511 -0.365 20 0 FBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000459899296 484507535 /nfs/dbraw/zinc/50/75/35/484507535.db2.gz QDMVYPFCIFTOSD-MRXNPFEDSA-N 2 0 353.511 -0.365 20 0 FBADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000459899382 484507596 /nfs/dbraw/zinc/50/75/96/484507596.db2.gz HPZFQEHAVOHUIM-CVEARBPZSA-N 2 0 356.511 -0.054 20 0 FBADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000459899385 484507446 /nfs/dbraw/zinc/50/74/46/484507446.db2.gz HPZFQEHAVOHUIM-HOTGVXAUSA-N 2 0 356.511 -0.054 20 0 FBADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000459899390 484507227 /nfs/dbraw/zinc/50/72/27/484507227.db2.gz HPZFQEHAVOHUIM-HZPDHXFCSA-N 2 0 356.511 -0.054 20 0 FBADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000459899392 484507348 /nfs/dbraw/zinc/50/73/48/484507348.db2.gz HPZFQEHAVOHUIM-JKSUJKDBSA-N 2 0 356.511 -0.054 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)N(C)CC[NH+](C)C)CCN1C1CC[NH+](C)CC1 ZINC000459900197 484508138 /nfs/dbraw/zinc/50/81/38/484508138.db2.gz RKZLZSFYSUGPME-HNNXBMFYSA-N 2 0 353.511 -0.367 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N(C)CC[NH+](C)C)CCN1C1CC[NH+](C)CC1 ZINC000459900198 484508493 /nfs/dbraw/zinc/50/84/93/484508493.db2.gz RKZLZSFYSUGPME-OAHLLOKOSA-N 2 0 353.511 -0.367 20 0 FBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000459902568 484508317 /nfs/dbraw/zinc/50/83/17/484508317.db2.gz VSYJRYUIDQHDHB-SJPCQFCGSA-N 2 0 365.522 -0.224 20 0 FBADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000459903965 484508480 /nfs/dbraw/zinc/50/84/80/484508480.db2.gz LWPQPVCWKZCIMZ-UHFFFAOYSA-N 2 0 356.511 -0.052 20 0 FBADRP CC[C@H](O)CN1CCN(C(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)CC1 ZINC000459913494 484509595 /nfs/dbraw/zinc/50/95/95/484509595.db2.gz JCXKEJSDORVCTQ-KRWDZBQOSA-N 2 0 366.506 -0.012 20 0 FBADRP CC[C@@H](O)CN1CCN(C(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)CC1 ZINC000459913495 484509846 /nfs/dbraw/zinc/50/98/46/484509846.db2.gz JCXKEJSDORVCTQ-QGZVFWFLSA-N 2 0 366.506 -0.012 20 0 FBADRP CCOCCN1CCN(C(=O)C(=O)N2CCN(CC(C)(C)O)CC2)CC1 ZINC000459913695 484509237 /nfs/dbraw/zinc/50/92/37/484509237.db2.gz DFFDFSKZZHHIQE-UHFFFAOYSA-N 2 0 370.494 -0.918 20 0 FBADRP C[N@H+](CCO)C1CCN(C(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)CC1 ZINC000459918664 484510720 /nfs/dbraw/zinc/51/07/20/484510720.db2.gz SAUUWUFOQDTEII-UHFFFAOYSA-N 2 0 366.506 -0.012 20 0 FBADRP CC[C@H]1CN(C(=O)C(=O)N2CCN(C3CC3)CC2)CCN1CCOC ZINC000459928757 484512773 /nfs/dbraw/zinc/51/27/73/484512773.db2.gz CLBXNPNOQHFLAG-HNNXBMFYSA-N 2 0 352.479 -0.138 20 0 FBADRP CC[C@@H]1CN(C(=O)C(=O)N2CCN(C3CC3)CC2)CCN1CCOC ZINC000459928758 484513140 /nfs/dbraw/zinc/51/31/40/484513140.db2.gz CLBXNPNOQHFLAG-OAHLLOKOSA-N 2 0 352.479 -0.138 20 0 FBADRP CCOCCN1CCN(C(=O)C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)CC1 ZINC000459929141 484512693 /nfs/dbraw/zinc/51/26/93/484512693.db2.gz ZAIQPRZRKMOQRX-GOSISDBHSA-N 2 0 352.479 -0.279 20 0 FBADRP CCOCCN1CCN(C(=O)C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)CC1 ZINC000459929142 484513172 /nfs/dbraw/zinc/51/31/72/484513172.db2.gz ZAIQPRZRKMOQRX-SFHVURJKSA-N 2 0 352.479 -0.279 20 0 FBADRP C[C@H](O)CN1CCN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)C[C@@H]1C ZINC000459981659 484518403 /nfs/dbraw/zinc/51/84/03/484518403.db2.gz CAEJLYOAACYOPB-HRCADAONSA-N 2 0 354.495 -0.300 20 0 FBADRP C[C@H](O)CN1CCN(C(=O)C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)C[C@@H]1C ZINC000459981661 484518478 /nfs/dbraw/zinc/51/84/78/484518478.db2.gz CAEJLYOAACYOPB-JYJNAYRXSA-N 2 0 354.495 -0.300 20 0 FBADRP C[C@H](O)CN1CCN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)C[C@H]1C ZINC000459981662 484518091 /nfs/dbraw/zinc/51/80/91/484518091.db2.gz CAEJLYOAACYOPB-OWCLPIDISA-N 2 0 354.495 -0.300 20 0 FBADRP C[C@H](O)CN1CCN(C(=O)C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)C[C@H]1C ZINC000459981663 484518506 /nfs/dbraw/zinc/51/85/06/484518506.db2.gz CAEJLYOAACYOPB-PMPSAXMXSA-N 2 0 354.495 -0.300 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)C[C@H](C)N1CCO ZINC000459982113 484517966 /nfs/dbraw/zinc/51/79/66/484517966.db2.gz CSROVOOAXXIHFW-OWCLPIDISA-N 2 0 354.495 -0.300 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)C[C@H](C)N1CCO ZINC000459982115 484518467 /nfs/dbraw/zinc/51/84/67/484518467.db2.gz CSROVOOAXXIHFW-XHSDSOJGSA-N 2 0 354.495 -0.300 20 0 FBADRP COCCN1CCN(C(=O)C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)C[C@H]1C ZINC000459983187 484518423 /nfs/dbraw/zinc/51/84/23/484518423.db2.gz GBSDGRQNNSHOTO-CVEARBPZSA-N 2 0 354.495 -0.034 20 0 FBADRP COCCN1CCN(C(=O)C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)C[C@@H]1C ZINC000459983189 484518171 /nfs/dbraw/zinc/51/81/71/484518171.db2.gz GBSDGRQNNSHOTO-HOTGVXAUSA-N 2 0 354.495 -0.034 20 0 FBADRP COCCN1CCN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)C[C@H]1C ZINC000459983191 484518452 /nfs/dbraw/zinc/51/84/52/484518452.db2.gz GBSDGRQNNSHOTO-HZPDHXFCSA-N 2 0 354.495 -0.034 20 0 FBADRP COCCN1CCN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)C[C@@H]1C ZINC000459983192 484518251 /nfs/dbraw/zinc/51/82/51/484518251.db2.gz GBSDGRQNNSHOTO-JKSUJKDBSA-N 2 0 354.495 -0.034 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)C[C@H](CO)O1 ZINC000459983650 484517837 /nfs/dbraw/zinc/51/78/37/484517837.db2.gz APSIAWBGZHDECI-GDBMZVCRSA-N 2 0 370.494 -0.921 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)C[C@H](CO)O1 ZINC000459983656 484518381 /nfs/dbraw/zinc/51/83/81/484518381.db2.gz APSIAWBGZHDECI-GOEBONIOSA-N 2 0 370.494 -0.921 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)C[C@@H](CO)O1 ZINC000459983658 484518003 /nfs/dbraw/zinc/51/80/03/484518003.db2.gz APSIAWBGZHDECI-HOCLYGCPSA-N 2 0 370.494 -0.921 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)C[C@@H](CO)O1 ZINC000459983660 484518435 /nfs/dbraw/zinc/51/84/35/484518435.db2.gz APSIAWBGZHDECI-ZBFHGGJFSA-N 2 0 370.494 -0.921 20 0 FBADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000459995126 484521469 /nfs/dbraw/zinc/52/14/69/484521469.db2.gz XDMLKDPBNPIEEE-DOTOQJQBSA-N 2 0 365.522 -0.367 20 0 FBADRP C[NH+](C)C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CCO1 ZINC000460010890 484523195 /nfs/dbraw/zinc/52/31/95/484523195.db2.gz HMSLYXMCEANHOF-CVEARBPZSA-N 2 0 352.479 -0.138 20 0 FBADRP C[NH+](C)C[C@H]1CN(C(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CCO1 ZINC000460010892 484522882 /nfs/dbraw/zinc/52/28/82/484522882.db2.gz HMSLYXMCEANHOF-HOTGVXAUSA-N 2 0 352.479 -0.138 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CCO1 ZINC000460010894 484522448 /nfs/dbraw/zinc/52/24/48/484522448.db2.gz HMSLYXMCEANHOF-HZPDHXFCSA-N 2 0 352.479 -0.138 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CCO1 ZINC000460010896 484522308 /nfs/dbraw/zinc/52/23/08/484522308.db2.gz HMSLYXMCEANHOF-JKSUJKDBSA-N 2 0 352.479 -0.138 20 0 FBADRP C[C@H](O)CN1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)CC1 ZINC000460033883 484526403 /nfs/dbraw/zinc/52/64/03/484526403.db2.gz PJXWTJOQYUGAFT-DLBZAZTESA-N 2 0 366.506 -0.012 20 0 FBADRP C[C@@H](O)CN1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)CC1 ZINC000460033886 484526524 /nfs/dbraw/zinc/52/65/24/484526524.db2.gz PJXWTJOQYUGAFT-IAGOWNOFSA-N 2 0 366.506 -0.012 20 0 FBADRP C[C@H](O)CN1CCN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)CC1 ZINC000460033889 484526860 /nfs/dbraw/zinc/52/68/60/484526860.db2.gz PJXWTJOQYUGAFT-IRXDYDNUSA-N 2 0 366.506 -0.012 20 0 FBADRP C[C@@H](O)CN1CCN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)CC1 ZINC000460033891 484526370 /nfs/dbraw/zinc/52/63/70/484526370.db2.gz PJXWTJOQYUGAFT-SJORKVTESA-N 2 0 366.506 -0.012 20 0 FBADRP C[NH+](C)CCC1CCN(C(=O)C(=O)N2CCO[C@@H](C[NH+](C)C)C2)CC1 ZINC000460042527 484528615 /nfs/dbraw/zinc/52/86/15/484528615.db2.gz OZBYGFMSHBDXJQ-INIZCTEOSA-N 2 0 354.495 -0.034 20 0 FBADRP C[NH+](C)CCC1CCN(C(=O)C(=O)N2CCO[C@H](C[NH+](C)C)C2)CC1 ZINC000460042529 484528633 /nfs/dbraw/zinc/52/86/33/484528633.db2.gz OZBYGFMSHBDXJQ-MRXNPFEDSA-N 2 0 354.495 -0.034 20 0 FBADRP C[NH+](C)C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CCO1 ZINC000460078994 484536918 /nfs/dbraw/zinc/53/69/18/484536918.db2.gz SQMJIPKTPRWFGS-CVEARBPZSA-N 2 0 352.479 -0.138 20 0 FBADRP C[NH+](C)C[C@H]1CN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)CCO1 ZINC000460078995 484536581 /nfs/dbraw/zinc/53/65/81/484536581.db2.gz SQMJIPKTPRWFGS-HOTGVXAUSA-N 2 0 352.479 -0.138 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CCO1 ZINC000460078996 484537096 /nfs/dbraw/zinc/53/70/96/484537096.db2.gz SQMJIPKTPRWFGS-HZPDHXFCSA-N 2 0 352.479 -0.138 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)CCO1 ZINC000460078997 484537066 /nfs/dbraw/zinc/53/70/66/484537066.db2.gz SQMJIPKTPRWFGS-JKSUJKDBSA-N 2 0 352.479 -0.138 20 0 FBADRP CNC(=O)CN1CCC(NC(=O)N(C)CCC[N@H+](C)CCN(C)C)CC1 ZINC000460124078 484451242 /nfs/dbraw/zinc/45/12/42/484451242.db2.gz IKMFZULGWAEKST-UHFFFAOYSA-N 2 0 370.542 -0.278 20 0 FBADRP C[NH+](C)CCOc1cc(CNC(=O)NC[C@@]2(O)CC[N@H+](C)C2)ccn1 ZINC000460219426 484541562 /nfs/dbraw/zinc/54/15/62/484541562.db2.gz YHXNRKOYRGRECT-KRWDZBQOSA-N 2 0 351.451 -0.112 20 0 FBADRP C[NH+](C)CCOc1cc(CNC(=O)NC[C@]2(O)CC[N@H+](C)C2)ccn1 ZINC000460219438 484541770 /nfs/dbraw/zinc/54/17/70/484541770.db2.gz YHXNRKOYRGRECT-QGZVFWFLSA-N 2 0 351.451 -0.112 20 0 FBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NC[C@@]1(O)CC[NH+](C)C1 ZINC000460272266 484542386 /nfs/dbraw/zinc/54/23/86/484542386.db2.gz WREJMHXNLPACHM-PBHICJAKSA-N 2 0 355.483 -0.705 20 0 FBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NC[C@]1(O)CC[NH+](C)C1 ZINC000460272267 484097207 /nfs/dbraw/zinc/09/72/07/484097207.db2.gz WREJMHXNLPACHM-RHSMWYFYSA-N 2 0 355.483 -0.705 20 0 FBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC[C@]1(O)CC[NH+](C)C1 ZINC000460272268 484096943 /nfs/dbraw/zinc/09/69/43/484096943.db2.gz WREJMHXNLPACHM-WMLDXEAASA-N 2 0 355.483 -0.705 20 0 FBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC[C@@]1(O)CC[NH+](C)C1 ZINC000460272269 484096213 /nfs/dbraw/zinc/09/62/13/484096213.db2.gz WREJMHXNLPACHM-YOEHRIQHSA-N 2 0 355.483 -0.705 20 0 FBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NC[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC000460275113 484542224 /nfs/dbraw/zinc/54/22/24/484542224.db2.gz KGMIAKPSEVICDW-KRWDZBQOSA-N 2 0 355.483 -0.705 20 0 FBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NC[C@]2(O)CC[N@H+](C)C2)CC1 ZINC000460275114 484542737 /nfs/dbraw/zinc/54/27/37/484542737.db2.gz KGMIAKPSEVICDW-QGZVFWFLSA-N 2 0 355.483 -0.705 20 0 FBADRP C[NH+](C)CCOc1cnccc1CNC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000461512312 484551420 /nfs/dbraw/zinc/55/14/20/484551420.db2.gz DQDOVYYJKCFNBB-KRWDZBQOSA-N 2 0 351.451 -0.112 20 0 FBADRP C[NH+](C)CCOc1cnccc1CNC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000461512315 484422654 /nfs/dbraw/zinc/42/26/54/484422654.db2.gz DQDOVYYJKCFNBB-QGZVFWFLSA-N 2 0 351.451 -0.112 20 0 FBADRP COCC[NH+]1CCC(NC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000461859662 484560294 /nfs/dbraw/zinc/56/02/94/484560294.db2.gz BSTJNBQAEKHPAU-HNNXBMFYSA-N 2 0 369.510 -0.016 20 0 FBADRP COCC[NH+]1CCC(NC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000461859664 484076093 /nfs/dbraw/zinc/07/60/93/484076093.db2.gz BSTJNBQAEKHPAU-OAHLLOKOSA-N 2 0 369.510 -0.016 20 0 FBADRP CC[NH+]1CCN(CC(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000462015408 484563835 /nfs/dbraw/zinc/56/38/35/484563835.db2.gz LNUCWVUBAJJZCP-INIZCTEOSA-N 2 0 353.511 -0.317 20 0 FBADRP CC[NH+]1CCN(CC(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000462015409 484563545 /nfs/dbraw/zinc/56/35/45/484563545.db2.gz LNUCWVUBAJJZCP-MRXNPFEDSA-N 2 0 353.511 -0.317 20 0 FBADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCO[C@H](CN(C)CC(N)=O)C1 ZINC000462018083 484492993 /nfs/dbraw/zinc/49/29/93/484492993.db2.gz YPNHSECUKBBCNL-HUUCEWRRSA-N 2 0 357.499 -0.066 20 0 FBADRP Cc1ccc2nc(CNC(=O)N3CCO[C@@H](CN(C)CC(N)=O)C3)cn2c1 ZINC000462749922 484579707 /nfs/dbraw/zinc/57/97/07/484579707.db2.gz VYGXOEGGBPJLFG-HNNXBMFYSA-N 2 0 374.445 -0.030 20 0 FBADRP Cc1ccc2nc(CNC(=O)N3CCO[C@H](CN(C)CC(N)=O)C3)cn2c1 ZINC000462749924 484579500 /nfs/dbraw/zinc/57/95/00/484579500.db2.gz VYGXOEGGBPJLFG-OAHLLOKOSA-N 2 0 374.445 -0.030 20 0 FBADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCO[C@@H](CN(C)CC(N)=O)C1 ZINC000463060926 484583306 /nfs/dbraw/zinc/58/33/06/484583306.db2.gz CWZLJEWYGUZWOI-GJZGRUSLSA-N 2 0 357.499 -0.066 20 0 FBADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCO[C@H](CN(C)CC(N)=O)C1 ZINC000463060927 484583166 /nfs/dbraw/zinc/58/31/66/484583166.db2.gz CWZLJEWYGUZWOI-LSDHHAIUSA-N 2 0 357.499 -0.066 20 0 FBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1C[C@H](O)C[C@H]1CO ZINC000463205030 484587647 /nfs/dbraw/zinc/58/76/47/484587647.db2.gz SVMDXLGLQWPURO-DLBZAZTESA-N 2 0 363.462 -0.269 20 0 FBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1C[C@H](O)C[C@@H]1CO ZINC000463205032 484587553 /nfs/dbraw/zinc/58/75/53/484587553.db2.gz SVMDXLGLQWPURO-IAGOWNOFSA-N 2 0 363.462 -0.269 20 0 FBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1C[C@@H](O)C[C@@H]1CO ZINC000463205034 484586720 /nfs/dbraw/zinc/58/67/20/484586720.db2.gz SVMDXLGLQWPURO-SJORKVTESA-N 2 0 363.462 -0.269 20 0 FBADRP NC(=O)Cn1cc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)nn1 ZINC000463629155 484595234 /nfs/dbraw/zinc/59/52/34/484595234.db2.gz HSGZYGXCKOGYEU-UHFFFAOYSA-N 2 0 372.433 -0.900 20 0 FBADRP COC(=O)C[C@]1([NH2+]CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CCOC1 ZINC000464598234 484606323 /nfs/dbraw/zinc/60/63/23/484606323.db2.gz SPRXRIFTZIOBKG-CRAIPNDOSA-N 2 0 371.478 -0.229 20 0 FBADRP COC(=O)C[C@]1([NH2+]CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CCOC1 ZINC000464598274 484606558 /nfs/dbraw/zinc/60/65/58/484606558.db2.gz SPRXRIFTZIOBKG-MAUKXSAKSA-N 2 0 371.478 -0.229 20 0 FBADRP COC(=O)C[C@@]1([NH2+]CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CCOC1 ZINC000464598275 484605715 /nfs/dbraw/zinc/60/57/15/484605715.db2.gz SPRXRIFTZIOBKG-QAPCUYQASA-N 2 0 371.478 -0.229 20 0 FBADRP COC(=O)C[C@@]1([NH2+]CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CCOC1 ZINC000464598276 484606691 /nfs/dbraw/zinc/60/66/91/484606691.db2.gz SPRXRIFTZIOBKG-YJBOKZPZSA-N 2 0 371.478 -0.229 20 0 FBADRP CC[N@H+](C)C[C@H]1CCN(CC(=O)N2CCN(CC(=O)N(C)C)CC2)C1 ZINC000464789527 484286186 /nfs/dbraw/zinc/28/61/86/484286186.db2.gz ONTPJFNNCNRCOZ-MRXNPFEDSA-N 2 0 353.511 -0.508 20 0 FBADRP C[C@H]1CN(C(=O)NCCCC[NH+]2CCN(CCO)CC2)C[C@H]1[NH+](C)C ZINC000465180349 484614682 /nfs/dbraw/zinc/61/46/82/484614682.db2.gz ZIFVIHJOZCBWLD-DLBZAZTESA-N 2 0 355.527 -0.032 20 0 FBADRP C[C@@H]1CN(C(=O)NCCCC[NH+]2CCN(CCO)CC2)C[C@H]1[NH+](C)C ZINC000465180350 484614490 /nfs/dbraw/zinc/61/44/90/484614490.db2.gz ZIFVIHJOZCBWLD-IAGOWNOFSA-N 2 0 355.527 -0.032 20 0 FBADRP C[C@H]1CN(C(=O)NCCCC[NH+]2CCN(CCO)CC2)C[C@@H]1[NH+](C)C ZINC000465180351 484613996 /nfs/dbraw/zinc/61/39/96/484613996.db2.gz ZIFVIHJOZCBWLD-IRXDYDNUSA-N 2 0 355.527 -0.032 20 0 FBADRP C[C@@H]1CN(C(=O)NCCCC[NH+]2CCN(CCO)CC2)C[C@@H]1[NH+](C)C ZINC000465180352 484614620 /nfs/dbraw/zinc/61/46/20/484614620.db2.gz ZIFVIHJOZCBWLD-SJORKVTESA-N 2 0 355.527 -0.032 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCNS(C)(=O)=O ZINC000465554180 484622424 /nfs/dbraw/zinc/62/24/24/484622424.db2.gz TUXDXWIPRPZGLA-AWEZNQCLSA-N 2 0 363.528 -0.407 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCNS(C)(=O)=O ZINC000465554181 484622729 /nfs/dbraw/zinc/62/27/29/484622729.db2.gz TUXDXWIPRPZGLA-CQSZACIVSA-N 2 0 363.528 -0.407 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCN1C(=O)CNC1=O ZINC000465941990 484628270 /nfs/dbraw/zinc/62/82/70/484628270.db2.gz YWQJQUVWTRBELJ-AWEZNQCLSA-N 2 0 368.482 -0.404 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCN1C(=O)CNC1=O ZINC000465941991 484628754 /nfs/dbraw/zinc/62/87/54/484628754.db2.gz YWQJQUVWTRBELJ-CQSZACIVSA-N 2 0 368.482 -0.404 20 0 FBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NCC2CC[NH+](CCO)CC2)C1 ZINC000465945922 484628022 /nfs/dbraw/zinc/62/80/22/484628022.db2.gz BWGRPBQBGPCYSW-INIZCTEOSA-N 2 0 369.510 -0.423 20 0 FBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NCC2CC[NH+](CCO)CC2)C1 ZINC000465945923 484628430 /nfs/dbraw/zinc/62/84/30/484628430.db2.gz BWGRPBQBGPCYSW-MRXNPFEDSA-N 2 0 369.510 -0.423 20 0 FBADRP C[NH+]1CCC(O)(CNC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000465952629 484628854 /nfs/dbraw/zinc/62/88/54/484628854.db2.gz KPPHIYQAKIEKDD-AWEZNQCLSA-N 2 0 355.483 -0.670 20 0 FBADRP C[NH+]1CCC(O)(CNC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000465952630 484628707 /nfs/dbraw/zinc/62/87/07/484628707.db2.gz KPPHIYQAKIEKDD-CQSZACIVSA-N 2 0 355.483 -0.670 20 0 FBADRP COCCC[N@H+](C)CCNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000466064293 484630171 /nfs/dbraw/zinc/63/01/71/484630171.db2.gz HDYJPTNDZCAQMY-UHFFFAOYSA-N 2 0 369.510 -0.096 20 0 FBADRP C[C@H](CNC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)C[NH+]1CCN(C)CC1 ZINC000466135582 484631483 /nfs/dbraw/zinc/63/14/83/484631483.db2.gz PXCROVQITTXQND-CVEARBPZSA-N 2 0 368.526 -0.491 20 0 FBADRP C[C@@H](CNC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)C[NH+]1CCN(C)CC1 ZINC000466135593 484631401 /nfs/dbraw/zinc/63/14/01/484631401.db2.gz PXCROVQITTXQND-HOTGVXAUSA-N 2 0 368.526 -0.491 20 0 FBADRP C[C@H](CNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O)C[NH+]1CCN(C)CC1 ZINC000466135595 484632672 /nfs/dbraw/zinc/63/26/72/484632672.db2.gz PXCROVQITTXQND-HZPDHXFCSA-N 2 0 368.526 -0.491 20 0 FBADRP C[C@@H](CNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O)C[NH+]1CCN(C)CC1 ZINC000466135597 484632251 /nfs/dbraw/zinc/63/22/51/484632251.db2.gz PXCROVQITTXQND-JKSUJKDBSA-N 2 0 368.526 -0.491 20 0 FBADRP CN(Cc1nnnn1C)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000466244882 484632194 /nfs/dbraw/zinc/63/21/94/484632194.db2.gz HWTQPSASNWAUIA-UHFFFAOYSA-N 2 0 373.465 -0.041 20 0 FBADRP CNC(=O)N[C@@H]1CCN(CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000466924410 484641930 /nfs/dbraw/zinc/64/19/30/484641930.db2.gz KCIGIWWLGZKUTN-CABCVRRESA-N 2 0 355.483 -0.537 20 0 FBADRP CNC(=O)N[C@H]1CCN(CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000466924411 484642725 /nfs/dbraw/zinc/64/27/25/484642725.db2.gz KCIGIWWLGZKUTN-GJZGRUSLSA-N 2 0 355.483 -0.537 20 0 FBADRP CNC(=O)N[C@@H]1CCN(CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000466924412 484641887 /nfs/dbraw/zinc/64/18/87/484641887.db2.gz KCIGIWWLGZKUTN-HUUCEWRRSA-N 2 0 355.483 -0.537 20 0 FBADRP CNC(=O)N[C@H]1CCN(CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000466924413 484641654 /nfs/dbraw/zinc/64/16/54/484641654.db2.gz KCIGIWWLGZKUTN-LSDHHAIUSA-N 2 0 355.483 -0.537 20 0 FBADRP CNC(=O)N[C@H]1CCN(CC2(C[N@@H+]3CC[C@H](NC(=O)NC)C3)COC2)C1 ZINC000466926956 484641411 /nfs/dbraw/zinc/64/14/11/484641411.db2.gz OBRYKDCDXDUKEC-KBPBESRZSA-N 2 0 368.482 -0.990 20 0 FBADRP CNC(=O)N[C@@H]1CCN(CC2(C[N@@H+]3CC[C@@H](NC(=O)NC)C3)COC2)C1 ZINC000466926958 484642558 /nfs/dbraw/zinc/64/25/58/484642558.db2.gz OBRYKDCDXDUKEC-ZIAGYGMSSA-N 2 0 368.482 -0.990 20 0 FBADRP CNC(=O)N[C@H]1CC[NH+](CCOCC[N@H+]2CC[C@H](NC(=O)NC)C2)C1 ZINC000466931251 484642104 /nfs/dbraw/zinc/64/21/04/484642104.db2.gz RYDNWHKTWJODLZ-KBPBESRZSA-N 2 0 356.471 -0.990 20 0 FBADRP CNC(=O)N[C@@H]1CC[NH+](CCOCC[N@H+]2CC[C@H](NC(=O)NC)C2)C1 ZINC000466931252 484641784 /nfs/dbraw/zinc/64/17/84/484641784.db2.gz RYDNWHKTWJODLZ-OKILXGFUSA-N 2 0 356.471 -0.990 20 0 FBADRP CNC(=O)N[C@@H]1CC[NH+](CCOCC[N@H+]2CC[C@@H](NC(=O)NC)C2)C1 ZINC000466931253 484641477 /nfs/dbraw/zinc/64/14/77/484641477.db2.gz RYDNWHKTWJODLZ-ZIAGYGMSSA-N 2 0 356.471 -0.990 20 0 FBADRP [NH3+]CCN(CCO)CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000466988457 483423361 /nfs/dbraw/zinc/42/33/61/483423361.db2.gz MTLMROKZRRSMOC-UHFFFAOYSA-N 2 0 373.475 -0.661 20 0 FBADRP CCN1CC[NH+](CCCCNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000467543524 484656747 /nfs/dbraw/zinc/65/67/47/484656747.db2.gz POUGUXOOIHUZKR-KRWDZBQOSA-N 2 0 367.538 -0.070 20 0 FBADRP CCN1CC[NH+](CCCCNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000467543525 484656766 /nfs/dbraw/zinc/65/67/66/484656766.db2.gz POUGUXOOIHUZKR-QGZVFWFLSA-N 2 0 367.538 -0.070 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)CC1 ZINC000467693547 484659957 /nfs/dbraw/zinc/65/99/57/484659957.db2.gz XQYKKJXZZDDIBW-MQVJKMGUSA-N 2 0 364.490 -0.186 20 0 FBADRP CNc1nc(NCC[NH+]2CCCCC2)nc(NCC[NH+]2CCCCC2)n1 ZINC000467744583 484661395 /nfs/dbraw/zinc/66/13/95/484661395.db2.gz USGZBRWCJRUKRF-UHFFFAOYSA-N 2 0 362.526 -0.025 20 0 FBADRP CC[NH+]1CCC(Nc2nc(NC)nc(NC3CC[NH+](CC)CC3)n2)CC1 ZINC000467746656 484661279 /nfs/dbraw/zinc/66/12/79/484661279.db2.gz PENYEEOUOMQRCT-UHFFFAOYSA-N 2 0 362.526 -0.029 20 0 FBADRP CNc1nc(N[C@@H]2CC[NH+](C)[C@H](C)C2)nc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)n1 ZINC000467779547 484663317 /nfs/dbraw/zinc/66/33/17/484663317.db2.gz BMRQIGCMKQLNGI-KBUPBQIOSA-N 2 0 362.526 -0.032 20 0 FBADRP CNc1nc(N2CC[NH+]3CCC2CC3)nc(N2CC[NH+]3CCC2CC3)n1 ZINC000468617056 484686147 /nfs/dbraw/zinc/68/61/47/484686147.db2.gz FIKVEESMIOZYLB-UHFFFAOYSA-N 2 0 358.494 -0.096 20 0 FBADRP C[NH+](C)CCOC1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000468945528 484698744 /nfs/dbraw/zinc/69/87/44/484698744.db2.gz NDKMPYNYHUXHAF-HNNXBMFYSA-N 2 0 354.495 -0.034 20 0 FBADRP C[NH+](C)CCOC1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000468945840 484699085 /nfs/dbraw/zinc/69/90/85/484699085.db2.gz NDKMPYNYHUXHAF-OAHLLOKOSA-N 2 0 354.495 -0.034 20 0 FBADRP CN(C)Cc1nc(C(C)(C)NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)no1 ZINC000469202629 484705634 /nfs/dbraw/zinc/70/56/34/484705634.db2.gz RJYAMUHAERVFIN-GFCCVEGCSA-N 2 0 366.466 -0.107 20 0 FBADRP CN(C)Cc1nc(C(C)(C)NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)no1 ZINC000469202704 484705497 /nfs/dbraw/zinc/70/54/97/484705497.db2.gz RJYAMUHAERVFIN-LBPRGKRZSA-N 2 0 366.466 -0.107 20 0 FBADRP C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000469215266 484705202 /nfs/dbraw/zinc/70/52/02/484705202.db2.gz MMXPUNOAQTXCIV-HNNXBMFYSA-N 2 0 352.479 -0.280 20 0 FBADRP C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000469215645 484704805 /nfs/dbraw/zinc/70/48/05/484704805.db2.gz MMXPUNOAQTXCIV-OAHLLOKOSA-N 2 0 352.479 -0.280 20 0 FBADRP C[NH+](C)CCN1C[C@@H](C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1=O ZINC000469416921 484709707 /nfs/dbraw/zinc/70/97/07/484709707.db2.gz WWVJHLROVSNRBK-CABCVRRESA-N 2 0 367.494 -0.900 20 0 FBADRP C[NH+](C)CCN1C[C@@H](C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1=O ZINC000469416922 484709861 /nfs/dbraw/zinc/70/98/61/484709861.db2.gz WWVJHLROVSNRBK-GJZGRUSLSA-N 2 0 367.494 -0.900 20 0 FBADRP C[NH+](C)CCN1C[C@H](C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1=O ZINC000469416923 484710175 /nfs/dbraw/zinc/71/01/75/484710175.db2.gz WWVJHLROVSNRBK-HUUCEWRRSA-N 2 0 367.494 -0.900 20 0 FBADRP C[NH+](C)CCN1C[C@H](C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1=O ZINC000469416924 484710279 /nfs/dbraw/zinc/71/02/79/484710279.db2.gz WWVJHLROVSNRBK-LSDHHAIUSA-N 2 0 367.494 -0.900 20 0 FBADRP C[C@H](CNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)C[NH+]1CCN(C)CC1 ZINC000469499808 484711649 /nfs/dbraw/zinc/71/16/49/484711649.db2.gz OYVMLORAUPEDPM-CVEARBPZSA-N 2 0 353.511 -0.604 20 0 FBADRP C[C@@H](CNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)C[NH+]1CCN(C)CC1 ZINC000469499809 484712827 /nfs/dbraw/zinc/71/28/27/484712827.db2.gz OYVMLORAUPEDPM-HOTGVXAUSA-N 2 0 353.511 -0.604 20 0 FBADRP C[C@H](CNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)C[NH+]1CCN(C)CC1 ZINC000469499810 484713559 /nfs/dbraw/zinc/71/35/59/484713559.db2.gz OYVMLORAUPEDPM-HZPDHXFCSA-N 2 0 353.511 -0.604 20 0 FBADRP C[C@@H](CNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)C[NH+]1CCN(C)CC1 ZINC000469499811 484712705 /nfs/dbraw/zinc/71/27/05/484712705.db2.gz OYVMLORAUPEDPM-JKSUJKDBSA-N 2 0 353.511 -0.604 20 0 FBADRP CC[N@H+](CCO)CCNC(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000469672218 484341352 /nfs/dbraw/zinc/34/13/52/484341352.db2.gz KLGSAVRIDFCHKS-UHFFFAOYSA-N 2 0 354.455 -0.349 20 0 FBADRP COCCN1CCCN(CC(=O)NC2CC[NH+](C3CC3)CC2)CC1=O ZINC000469685987 484717559 /nfs/dbraw/zinc/71/75/59/484717559.db2.gz RCRCHDXYJDKAIH-UHFFFAOYSA-N 2 0 352.479 -0.090 20 0 FBADRP CC[NH+]1CCN(CC(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CC1 ZINC000469709750 484718996 /nfs/dbraw/zinc/71/89/96/484718996.db2.gz ZMLRTNVILQQWDO-UHFFFAOYSA-N 2 0 365.482 -0.863 20 0 FBADRP Cn1cc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c(=O)n(C)c1=O ZINC000469848231 484721999 /nfs/dbraw/zinc/72/19/99/484721999.db2.gz HJUWMKRCKSKJMA-DZGCQCFKSA-N 2 0 363.462 -0.836 20 0 FBADRP Cn1cc(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c(=O)n(C)c1=O ZINC000469848232 484722627 /nfs/dbraw/zinc/72/26/27/484722627.db2.gz HJUWMKRCKSKJMA-HIFRSBDPSA-N 2 0 363.462 -0.836 20 0 FBADRP Cn1cc(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c(=O)n(C)c1=O ZINC000469848233 484722302 /nfs/dbraw/zinc/72/23/02/484722302.db2.gz HJUWMKRCKSKJMA-UKRRQHHQSA-N 2 0 363.462 -0.836 20 0 FBADRP Cn1cc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c(=O)n(C)c1=O ZINC000469848234 484722249 /nfs/dbraw/zinc/72/22/49/484722249.db2.gz HJUWMKRCKSKJMA-ZFWWWQNUSA-N 2 0 363.462 -0.836 20 0 FBADRP CN1CCN(c2ncc(C[N@@H+]3CCC[C@H](C(=O)NCC[NH3+])C3)cn2)CC1 ZINC000469993220 484726943 /nfs/dbraw/zinc/72/69/43/484726943.db2.gz SSQRSOTTWRECAZ-INIZCTEOSA-N 2 0 361.494 -0.485 20 0 FBADRP CN1CCN(c2ncc(C[N@@H+]3CCC[C@@H](C(=O)NCC[NH3+])C3)cn2)CC1 ZINC000469993221 484726549 /nfs/dbraw/zinc/72/65/49/484726549.db2.gz SSQRSOTTWRECAZ-MRXNPFEDSA-N 2 0 361.494 -0.485 20 0 FBADRP Cc1nn(C)c(N2CCOCC2)c1C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000470012115 484726663 /nfs/dbraw/zinc/72/66/63/484726663.db2.gz PDVPRSRDJVQTEE-HNNXBMFYSA-N 2 0 364.494 -0.148 20 0 FBADRP Cc1nn(C)c(N2CCOCC2)c1C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000470012116 484726507 /nfs/dbraw/zinc/72/65/07/484726507.db2.gz PDVPRSRDJVQTEE-OAHLLOKOSA-N 2 0 364.494 -0.148 20 0 FBADRP CC[N@H+](CCO)CCNC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000470065548 484728401 /nfs/dbraw/zinc/72/84/01/484728401.db2.gz JRJAZHHYHPIGQV-UHFFFAOYSA-N 2 0 357.499 -0.458 20 0 FBADRP [NH3+]CC(=O)NCC(=O)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000470452361 484738770 /nfs/dbraw/zinc/73/87/70/484738770.db2.gz FBMZOVULBWJNPK-UHFFFAOYSA-N 2 0 361.446 -0.797 20 0 FBADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)CNC(=O)C[NH3+])c2)C1 ZINC000470457213 484739070 /nfs/dbraw/zinc/73/90/70/484739070.db2.gz ZNYPSRBIDYQBFG-HNNXBMFYSA-N 2 0 361.446 -0.925 20 0 FBADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)CNC(=O)C[NH3+])c2)C1 ZINC000470457214 484738200 /nfs/dbraw/zinc/73/82/00/484738200.db2.gz ZNYPSRBIDYQBFG-OAHLLOKOSA-N 2 0 361.446 -0.925 20 0 FBADRP [NH3+]CC(=O)NCC(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000470470945 484737825 /nfs/dbraw/zinc/73/78/25/484737825.db2.gz RKRXSUYMCGEIAN-INIZCTEOSA-N 2 0 374.489 -0.483 20 0 FBADRP [NH3+]CC(=O)NCC(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000470470946 484738606 /nfs/dbraw/zinc/73/86/06/484738606.db2.gz RKRXSUYMCGEIAN-MRXNPFEDSA-N 2 0 374.489 -0.483 20 0 FBADRP CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)CNC(=O)C[NH3+] ZINC000470476347 484740746 /nfs/dbraw/zinc/74/07/46/484740746.db2.gz JJSVDCOTEBZCAQ-UHFFFAOYSA-N 2 0 353.511 -0.284 20 0 FBADRP C[C@@H](CO)[N@@H+]1CCCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000470932068 483777100 /nfs/dbraw/zinc/77/71/00/483777100.db2.gz NOZAZROAMHLIFN-AWEZNQCLSA-N 2 0 366.466 -0.702 20 0 FBADRP C[C@H](CO)[N@@H+]1CCCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000470932071 483758898 /nfs/dbraw/zinc/75/88/98/483758898.db2.gz NOZAZROAMHLIFN-CQSZACIVSA-N 2 0 366.466 -0.702 20 0 FBADRP C[C@H](C(=O)NC(N)=O)[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000471225679 484760390 /nfs/dbraw/zinc/76/03/90/484760390.db2.gz HYMQUEQJKSJAFH-GFCCVEGCSA-N 2 0 355.483 -0.014 20 0 FBADRP C[C@@H](C(=O)NC(N)=O)[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000471225680 484759376 /nfs/dbraw/zinc/75/93/76/484759376.db2.gz HYMQUEQJKSJAFH-LBPRGKRZSA-N 2 0 355.483 -0.014 20 0 FBADRP CC(C)(O)C[NH+]1CCN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000471553945 484765536 /nfs/dbraw/zinc/76/55/36/484765536.db2.gz CDISGTBOAUNDBK-HNNXBMFYSA-N 2 0 369.510 -0.328 20 0 FBADRP CC(C)(O)C[NH+]1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000471553946 484765333 /nfs/dbraw/zinc/76/53/33/484765333.db2.gz CDISGTBOAUNDBK-OAHLLOKOSA-N 2 0 369.510 -0.328 20 0 FBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCCOCC[NH+](C)C)CC1 ZINC000471635315 484766260 /nfs/dbraw/zinc/76/62/60/484766260.db2.gz NWPSMWPUMMHSSB-UHFFFAOYSA-N 2 0 357.499 -0.194 20 0 FBADRP C[NH+](C)CCOCCNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000471636389 484766458 /nfs/dbraw/zinc/76/64/58/484766458.db2.gz RQHMSXMTQQVBMB-UHFFFAOYSA-N 2 0 355.483 -0.486 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCCOCC[NH+](C)C)CC1 ZINC000471643748 484767406 /nfs/dbraw/zinc/76/74/06/484767406.db2.gz RYYGVHYEKSDNHG-UHFFFAOYSA-N 2 0 357.499 -0.240 20 0 FBADRP C[NH+](C)CCOCCNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000471658406 484766964 /nfs/dbraw/zinc/76/69/64/484766964.db2.gz MBNLQIFIJLIPJM-HNNXBMFYSA-N 2 0 355.483 -0.487 20 0 FBADRP C[NH+](C)CCOCCNC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000471658407 484766654 /nfs/dbraw/zinc/76/66/54/484766654.db2.gz MBNLQIFIJLIPJM-OAHLLOKOSA-N 2 0 355.483 -0.487 20 0 FBADRP CC(C)[NH+]1CCC(O)(CNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000472423358 484777343 /nfs/dbraw/zinc/77/73/43/484777343.db2.gz BQYNOSZMXQZHGJ-HNNXBMFYSA-N 2 0 354.495 -0.252 20 0 FBADRP CC(C)[NH+]1CCC(O)(CNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000472423359 484777523 /nfs/dbraw/zinc/77/75/23/484777523.db2.gz BQYNOSZMXQZHGJ-OAHLLOKOSA-N 2 0 354.495 -0.252 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cn1cc(C(=O)OC)nn1 ZINC000474630277 484823178 /nfs/dbraw/zinc/82/31/78/484823178.db2.gz GDQIEYNDXUDNPG-AWEZNQCLSA-N 2 0 366.466 -0.061 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cn1cc(C(=O)OC)nn1 ZINC000474630278 484823437 /nfs/dbraw/zinc/82/34/37/484823437.db2.gz GDQIEYNDXUDNPG-CQSZACIVSA-N 2 0 366.466 -0.061 20 0 FBADRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000474794677 484828410 /nfs/dbraw/zinc/82/84/10/484828410.db2.gz UIENPJNAOAWQSR-CVEARBPZSA-N 2 0 353.511 -0.461 20 0 FBADRP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000474794678 484827870 /nfs/dbraw/zinc/82/78/70/484827870.db2.gz UIENPJNAOAWQSR-HOTGVXAUSA-N 2 0 353.511 -0.461 20 0 FBADRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000474794679 484828098 /nfs/dbraw/zinc/82/80/98/484828098.db2.gz UIENPJNAOAWQSR-HZPDHXFCSA-N 2 0 353.511 -0.461 20 0 FBADRP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000474794680 484827929 /nfs/dbraw/zinc/82/79/29/484827929.db2.gz UIENPJNAOAWQSR-JKSUJKDBSA-N 2 0 353.511 -0.461 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCC2(O)CC[NH+](C)CC2)CC1=O ZINC000474987237 484833522 /nfs/dbraw/zinc/83/35/22/484833522.db2.gz CKZHCQJNCCHYFV-CVEARBPZSA-N 2 0 366.506 -0.108 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCC2(O)CC[NH+](C)CC2)CC1=O ZINC000474987238 484834033 /nfs/dbraw/zinc/83/40/33/484834033.db2.gz CKZHCQJNCCHYFV-HOTGVXAUSA-N 2 0 366.506 -0.108 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC2(O)CC[NH+](C)CC2)CC1=O ZINC000474987239 484833616 /nfs/dbraw/zinc/83/36/16/484833616.db2.gz CKZHCQJNCCHYFV-HZPDHXFCSA-N 2 0 366.506 -0.108 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC2(O)CC[NH+](C)CC2)CC1=O ZINC000474987240 484833960 /nfs/dbraw/zinc/83/39/60/484833960.db2.gz CKZHCQJNCCHYFV-JKSUJKDBSA-N 2 0 366.506 -0.108 20 0 FBADRP C[NH+](C)[C@@H](CNC(=O)CN1CC[C@@H](S(N)(=O)=O)C1)c1ccccc1 ZINC000475159310 484838289 /nfs/dbraw/zinc/83/82/89/484838289.db2.gz XGBKPHPXDMVRJA-CABCVRRESA-N 2 0 354.476 -0.232 20 0 FBADRP C[NH+](C)[C@@H](CNC(=O)CN1CC[C@H](S(N)(=O)=O)C1)c1ccccc1 ZINC000475159313 484837492 /nfs/dbraw/zinc/83/74/92/484837492.db2.gz XGBKPHPXDMVRJA-GJZGRUSLSA-N 2 0 354.476 -0.232 20 0 FBADRP C[NH+](C)[C@H](CNC(=O)CN1CC[C@@H](S(N)(=O)=O)C1)c1ccccc1 ZINC000475159315 484837786 /nfs/dbraw/zinc/83/77/86/484837786.db2.gz XGBKPHPXDMVRJA-HUUCEWRRSA-N 2 0 354.476 -0.232 20 0 FBADRP C[NH+](C)[C@H](CNC(=O)CN1CC[C@H](S(N)(=O)=O)C1)c1ccccc1 ZINC000475159317 484838016 /nfs/dbraw/zinc/83/80/16/484838016.db2.gz XGBKPHPXDMVRJA-LSDHHAIUSA-N 2 0 354.476 -0.232 20 0 FBADRP C[NH+]1CCN(CCNc2cc(NCCN3CC[NH+](C)CC3)ncn2)CC1 ZINC000475447879 484143066 /nfs/dbraw/zinc/14/30/66/484143066.db2.gz IEFYRNYYGSRGIB-UHFFFAOYSA-N 2 0 362.526 -0.205 20 0 FBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000477030306 484253122 /nfs/dbraw/zinc/25/31/22/484253122.db2.gz DJKXURIESBOPHV-HNNXBMFYSA-N 2 0 355.527 -0.025 20 0 FBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000477030320 484253098 /nfs/dbraw/zinc/25/30/98/484253098.db2.gz DJKXURIESBOPHV-OAHLLOKOSA-N 2 0 355.527 -0.025 20 0 FBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000477095097 484281641 /nfs/dbraw/zinc/28/16/41/484281641.db2.gz GFMVZDSBCXUXDW-INIZCTEOSA-N 2 0 355.527 -0.071 20 0 FBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000477095100 484281998 /nfs/dbraw/zinc/28/19/98/484281998.db2.gz GFMVZDSBCXUXDW-MRXNPFEDSA-N 2 0 355.527 -0.071 20 0 FBADRP COCCOCCS(=O)(=O)N(CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000477133490 484891700 /nfs/dbraw/zinc/89/17/00/484891700.db2.gz FYDMGHKLTXDGTR-UHFFFAOYSA-N 2 0 351.513 -0.063 20 0 FBADRP COCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000477612541 484905382 /nfs/dbraw/zinc/90/53/82/484905382.db2.gz FLEYFMQBUWKQIW-DZGCQCFKSA-N 2 0 352.479 -0.045 20 0 FBADRP COCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000477612549 484904896 /nfs/dbraw/zinc/90/48/96/484904896.db2.gz FLEYFMQBUWKQIW-HIFRSBDPSA-N 2 0 352.479 -0.045 20 0 FBADRP COCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000477612706 484904923 /nfs/dbraw/zinc/90/49/23/484904923.db2.gz FLEYFMQBUWKQIW-UKRRQHHQSA-N 2 0 352.479 -0.045 20 0 FBADRP COCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000477612707 484904722 /nfs/dbraw/zinc/90/47/22/484904722.db2.gz FLEYFMQBUWKQIW-ZFWWWQNUSA-N 2 0 352.479 -0.045 20 0 FBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](CCOC)CC1 ZINC000477626873 484905229 /nfs/dbraw/zinc/90/52/29/484905229.db2.gz NBSHFRQWTLOCPH-INIZCTEOSA-N 2 0 370.494 -0.560 20 0 FBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](CCOC)CC1 ZINC000477626875 484904993 /nfs/dbraw/zinc/90/49/93/484904993.db2.gz NBSHFRQWTLOCPH-MRXNPFEDSA-N 2 0 370.494 -0.560 20 0 FBADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000477642701 484906936 /nfs/dbraw/zinc/90/69/36/484906936.db2.gz JPMQQDBDTILRSE-GDBMZVCRSA-N 2 0 352.479 -0.234 20 0 FBADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000477642709 484907143 /nfs/dbraw/zinc/90/71/43/484907143.db2.gz JPMQQDBDTILRSE-GOEBONIOSA-N 2 0 352.479 -0.234 20 0 FBADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000477642711 484906736 /nfs/dbraw/zinc/90/67/36/484906736.db2.gz JPMQQDBDTILRSE-HOCLYGCPSA-N 2 0 352.479 -0.234 20 0 FBADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000477642713 484906899 /nfs/dbraw/zinc/90/68/99/484906899.db2.gz JPMQQDBDTILRSE-ZBFHGGJFSA-N 2 0 352.479 -0.234 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC2CC[NH+](CCOC)CC2)C1 ZINC000477648709 484907258 /nfs/dbraw/zinc/90/72/58/484907258.db2.gz BFMYEXGFNRHLCG-HNNXBMFYSA-N 2 0 356.467 -0.950 20 0 FBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](CCOC)CC2)C1 ZINC000477648711 484907010 /nfs/dbraw/zinc/90/70/10/484907010.db2.gz BFMYEXGFNRHLCG-OAHLLOKOSA-N 2 0 356.467 -0.950 20 0 FBADRP COCC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)CC1 ZINC000477649698 484907159 /nfs/dbraw/zinc/90/71/59/484907159.db2.gz DWXIRKBYETZWBF-AWEZNQCLSA-N 2 0 352.479 -0.020 20 0 FBADRP COCC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)CC1 ZINC000477649702 484907485 /nfs/dbraw/zinc/90/74/85/484907485.db2.gz DWXIRKBYETZWBF-CQSZACIVSA-N 2 0 352.479 -0.020 20 0 FBADRP COCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000477682797 484908436 /nfs/dbraw/zinc/90/84/36/484908436.db2.gz IZPJCNYEBDKWFB-BBRMVZONSA-N 2 0 352.479 -0.188 20 0 FBADRP COCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000477682798 484907868 /nfs/dbraw/zinc/90/78/68/484907868.db2.gz IZPJCNYEBDKWFB-CJNGLKHVSA-N 2 0 352.479 -0.188 20 0 FBADRP COCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000477682799 484909350 /nfs/dbraw/zinc/90/93/50/484909350.db2.gz IZPJCNYEBDKWFB-CZUORRHYSA-N 2 0 352.479 -0.188 20 0 FBADRP COCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000477682800 484908397 /nfs/dbraw/zinc/90/83/97/484908397.db2.gz IZPJCNYEBDKWFB-XJKSGUPXSA-N 2 0 352.479 -0.188 20 0 FBADRP COCC[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000477683666 484908637 /nfs/dbraw/zinc/90/86/37/484908637.db2.gz QESATLVAAARDPF-INIZCTEOSA-N 2 0 352.479 -0.092 20 0 FBADRP COCC[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000477683667 484908274 /nfs/dbraw/zinc/90/82/74/484908274.db2.gz QESATLVAAARDPF-MRXNPFEDSA-N 2 0 352.479 -0.092 20 0 FBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000477734365 484912690 /nfs/dbraw/zinc/91/26/90/484912690.db2.gz QQQGKFVTBNRUQJ-CVEARBPZSA-N 2 0 368.526 -0.526 20 0 FBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000477734366 484911798 /nfs/dbraw/zinc/91/17/98/484911798.db2.gz QQQGKFVTBNRUQJ-HOTGVXAUSA-N 2 0 368.526 -0.526 20 0 FBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000477734367 484912453 /nfs/dbraw/zinc/91/24/53/484912453.db2.gz QQQGKFVTBNRUQJ-HZPDHXFCSA-N 2 0 368.526 -0.526 20 0 FBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000477734368 484912350 /nfs/dbraw/zinc/91/23/50/484912350.db2.gz QQQGKFVTBNRUQJ-JKSUJKDBSA-N 2 0 368.526 -0.526 20 0 FBADRP CCC[NH+]1CCC(CNC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)CC1 ZINC000477752015 484912325 /nfs/dbraw/zinc/91/23/25/484912325.db2.gz ZPGVHMVKACEEOP-INIZCTEOSA-N 2 0 353.511 -0.413 20 0 FBADRP CCC[NH+]1CCC(CNC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC000477752016 484912169 /nfs/dbraw/zinc/91/21/69/484912169.db2.gz ZPGVHMVKACEEOP-MRXNPFEDSA-N 2 0 353.511 -0.413 20 0 FBADRP COCC[N@H+](C)CCOc1cccc(CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)c1 ZINC000478011654 484916239 /nfs/dbraw/zinc/91/62/39/484916239.db2.gz VMJGRHFRFYJFSJ-NVXWUHKLSA-N 2 0 351.447 -0.017 20 0 FBADRP C[C@@H]1CCC[C@](CNC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)([NH+](C)C)C1 ZINC000478014319 484917048 /nfs/dbraw/zinc/91/70/48/484917048.db2.gz JZJLQBVDXFJLJE-GJYPPUQNSA-N 2 0 367.538 -0.025 20 0 FBADRP C[C@@H]1CCC[C@@](CNC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)([NH+](C)C)C1 ZINC000478014321 484917102 /nfs/dbraw/zinc/91/71/02/484917102.db2.gz JZJLQBVDXFJLJE-GPMSIDNRSA-N 2 0 367.538 -0.025 20 0 FBADRP C[C@@H]1CCC[C@@](CNC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)([NH+](C)C)C1 ZINC000478014324 484916402 /nfs/dbraw/zinc/91/64/02/484916402.db2.gz JZJLQBVDXFJLJE-JTDSTZFVSA-N 2 0 367.538 -0.025 20 0 FBADRP C[C@@H]1CCC[C@](CNC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)([NH+](C)C)C1 ZINC000478014327 484917060 /nfs/dbraw/zinc/91/70/60/484917060.db2.gz JZJLQBVDXFJLJE-MDZRGWNJSA-N 2 0 367.538 -0.025 20 0 FBADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)[C@H]3C[C@@H](O)C[NH2+]3)c2)C1 ZINC000478032423 484916751 /nfs/dbraw/zinc/91/67/51/484916751.db2.gz XAKDVXWKMOCXBJ-BRWVUGGUSA-N 2 0 360.458 -0.277 20 0 FBADRP [NH3+]C[C@H]1CN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCO1 ZINC000478248369 484921290 /nfs/dbraw/zinc/92/12/90/484921290.db2.gz GCWXQVSXYICLAS-INIZCTEOSA-N 2 0 354.495 -0.203 20 0 FBADRP [NH3+]C[C@@H]1CN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCO1 ZINC000478248371 484921094 /nfs/dbraw/zinc/92/10/94/484921094.db2.gz GCWXQVSXYICLAS-MRXNPFEDSA-N 2 0 354.495 -0.203 20 0 FBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@H]3CCC[N@H+](CC)C3)C2)CC1 ZINC000478882389 484937503 /nfs/dbraw/zinc/93/75/03/484937503.db2.gz GLZOLWPFMPOSNK-DLBZAZTESA-N 2 0 365.522 -0.175 20 0 FBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@@H]3CCC[N@H+](CC)C3)C2)CC1 ZINC000478882391 484937071 /nfs/dbraw/zinc/93/70/71/484937071.db2.gz GLZOLWPFMPOSNK-IAGOWNOFSA-N 2 0 365.522 -0.175 20 0 FBADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N[C@H]3CCC[N@H+](CC)C3)C2)CC1 ZINC000478882395 484936708 /nfs/dbraw/zinc/93/67/08/484936708.db2.gz GLZOLWPFMPOSNK-IRXDYDNUSA-N 2 0 365.522 -0.175 20 0 FBADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N[C@@H]3CCC[N@H+](CC)C3)C2)CC1 ZINC000478882399 484936523 /nfs/dbraw/zinc/93/65/23/484936523.db2.gz GLZOLWPFMPOSNK-SJORKVTESA-N 2 0 365.522 -0.175 20 0 FBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2csc(CC[NH3+])n2)cn1 ZINC000479223015 484945975 /nfs/dbraw/zinc/94/59/75/484945975.db2.gz LALALCQNSWJSOO-UHFFFAOYSA-N 2 0 365.463 -0.229 20 0 FBADRP COCC1(C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CC[NH2+]CC1 ZINC000479229154 484946293 /nfs/dbraw/zinc/94/62/93/484946293.db2.gz XKVRBEIQDQCJQJ-UHFFFAOYSA-N 2 0 366.466 -0.484 20 0 FBADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)[C@H]3C[C@@H](O)C[NH2+]3)c2)C1 ZINC000479295620 484947928 /nfs/dbraw/zinc/94/79/28/484947928.db2.gz XAKDVXWKMOCXBJ-GVDBMIGSSA-N 2 0 360.458 -0.277 20 0 FBADRP CN1CCN(S(=O)(=O)N2CC[NH+](CCC3CC[NH2+]CC3)CC2)CC1 ZINC000479681785 484952164 /nfs/dbraw/zinc/95/21/64/484952164.db2.gz CPNJOQMLYHNZOQ-UHFFFAOYSA-N 2 0 359.540 -0.514 20 0 FBADRP NS(=O)(=O)c1ccc(CCNC(=O)CC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000479756775 484953006 /nfs/dbraw/zinc/95/30/06/484953006.db2.gz RUKWJQCTBSSNSG-GASCZTMLSA-N 2 0 366.487 -0.466 20 0 FBADRP C[N@H+](CCNC(=O)C(=O)NC[C@@]1(N2CCOCC2)CCSC1)C1CC1 ZINC000479834957 484954612 /nfs/dbraw/zinc/95/46/12/484954612.db2.gz XRQWFPAWVIIRBP-KRWDZBQOSA-N 2 0 370.519 -0.479 20 0 FBADRP C[N@H+](CCNC(=O)C(=O)NC[C@]1(N2CCOCC2)CCSC1)C1CC1 ZINC000479834958 484954396 /nfs/dbraw/zinc/95/43/96/484954396.db2.gz XRQWFPAWVIIRBP-QGZVFWFLSA-N 2 0 370.519 -0.479 20 0 FBADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCC1(O)CC[NH+](C)CC1 ZINC000480685478 484976141 /nfs/dbraw/zinc/97/61/41/484976141.db2.gz WIVVADFZMYDCRP-UHFFFAOYSA-N 2 0 373.523 -0.203 20 0 FBADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000480881095 484984782 /nfs/dbraw/zinc/98/47/82/484984782.db2.gz QLPCMIJDWLKSNU-HNNXBMFYSA-N 2 0 359.496 -0.594 20 0 FBADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000480881102 484984405 /nfs/dbraw/zinc/98/44/05/484984405.db2.gz QLPCMIJDWLKSNU-OAHLLOKOSA-N 2 0 359.496 -0.594 20 0 FBADRP CC[N@H+](CCO)CCNS(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C ZINC000480884824 484984361 /nfs/dbraw/zinc/98/43/61/484984361.db2.gz YQJQASNGRGXNOC-UHFFFAOYSA-N 2 0 361.512 -0.346 20 0 FBADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCCOCC[NH+](C)C ZINC000480915150 484985657 /nfs/dbraw/zinc/98/56/57/484985657.db2.gz VVYUPXSNQKMLTE-UHFFFAOYSA-N 2 0 361.512 -0.082 20 0 FBADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000481010850 484990732 /nfs/dbraw/zinc/99/07/32/484990732.db2.gz XNGSJVSYMPOMIS-TWMKSMIVSA-N 2 0 367.538 -0.169 20 0 FBADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000481010853 484990344 /nfs/dbraw/zinc/99/03/44/484990344.db2.gz XNGSJVSYMPOMIS-VVLHAWIVSA-N 2 0 367.538 -0.169 20 0 FBADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000481010855 484990850 /nfs/dbraw/zinc/99/08/50/484990850.db2.gz XNGSJVSYMPOMIS-YVSFHVDLSA-N 2 0 367.538 -0.169 20 0 FBADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000481010858 484990402 /nfs/dbraw/zinc/99/04/02/484990402.db2.gz XNGSJVSYMPOMIS-YYIAUSFCSA-N 2 0 367.538 -0.169 20 0 FBADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000481315462 484997060 /nfs/dbraw/zinc/99/70/60/484997060.db2.gz VRUMFRZBJQJFME-BZUAXINKSA-N 2 0 353.511 -0.415 20 0 FBADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000481315465 484996923 /nfs/dbraw/zinc/99/69/23/484996923.db2.gz VRUMFRZBJQJFME-OAGGEKHMSA-N 2 0 353.511 -0.415 20 0 FBADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000481315467 484997357 /nfs/dbraw/zinc/99/73/57/484997357.db2.gz VRUMFRZBJQJFME-OWCLPIDISA-N 2 0 353.511 -0.415 20 0 FBADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000481315468 484996766 /nfs/dbraw/zinc/99/67/66/484996766.db2.gz VRUMFRZBJQJFME-PMPSAXMXSA-N 2 0 353.511 -0.415 20 0 FBADRP C[NH+](CC(=O)N1CCN(C(=O)C[N@@H+](C)CC(C)(C)O)CC1)CC(C)(C)O ZINC000482955624 485024920 /nfs/dbraw/zinc/02/49/20/485024920.db2.gz FRTMFKKDHNGFTG-UHFFFAOYSA-N 2 0 372.510 -0.937 20 0 FBADRP C[C@@H]1OCC[C@@H]1N(CCO)CC1(C[N@H+](CCO)[C@H]2CCO[C@H]2C)COC1 ZINC000483278825 485034569 /nfs/dbraw/zinc/03/45/69/485034569.db2.gz DLQRRJNBCZYOCE-XSLAGTTESA-N 2 0 372.506 -0.054 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN(CCO)[C@H]2CCO[C@H]2C)C1 ZINC000483279522 485035755 /nfs/dbraw/zinc/03/57/55/485035755.db2.gz MUMBTMYRQXLFNJ-BBWFWOEESA-N 2 0 357.495 -0.069 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN(CCO)[C@@H]2CCO[C@@H]2C)C1 ZINC000483279523 485035299 /nfs/dbraw/zinc/03/52/99/485035299.db2.gz MUMBTMYRQXLFNJ-BRWVUGGUSA-N 2 0 357.495 -0.069 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN(CCO)[C@@H]2CCO[C@H]2C)C1 ZINC000483279525 485035932 /nfs/dbraw/zinc/03/59/32/485035932.db2.gz MUMBTMYRQXLFNJ-GVDBMIGSSA-N 2 0 357.495 -0.069 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN(CCO)[C@H]2CCO[C@@H]2C)C1 ZINC000483279527 485035249 /nfs/dbraw/zinc/03/52/49/485035249.db2.gz MUMBTMYRQXLFNJ-ZACQAIPSSA-N 2 0 357.495 -0.069 20 0 FBADRP COC(=O)CN(C)C(=O)CCN1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000483510550 485041901 /nfs/dbraw/zinc/04/19/01/485041901.db2.gz ZFKMFBWEQRNBLY-AWEZNQCLSA-N 2 0 354.451 -0.754 20 0 FBADRP COC(=O)CN(C)C(=O)CCN1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000483510551 485042211 /nfs/dbraw/zinc/04/22/11/485042211.db2.gz ZFKMFBWEQRNBLY-CQSZACIVSA-N 2 0 354.451 -0.754 20 0 FBADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@H]2C[NH+](C)CCN2C)C1 ZINC000483914685 485050615 /nfs/dbraw/zinc/05/06/15/485050615.db2.gz LEAQXVORZKMKIK-CVEARBPZSA-N 2 0 367.538 -0.025 20 0 FBADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@H]2C[NH+](C)CCN2C)C1 ZINC000483914689 485050166 /nfs/dbraw/zinc/05/01/66/485050166.db2.gz LEAQXVORZKMKIK-HOTGVXAUSA-N 2 0 367.538 -0.025 20 0 FBADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2C[NH+](C)CCN2C)C1 ZINC000483914691 485050872 /nfs/dbraw/zinc/05/08/72/485050872.db2.gz LEAQXVORZKMKIK-HZPDHXFCSA-N 2 0 367.538 -0.025 20 0 FBADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2C[NH+](C)CCN2C)C1 ZINC000483914693 485050969 /nfs/dbraw/zinc/05/09/69/485050969.db2.gz LEAQXVORZKMKIK-JKSUJKDBSA-N 2 0 367.538 -0.025 20 0 FBADRP C[NH+](CCOCC[N@@H+](C)C1(CO)CCOCC1)C1(CO)CCOCC1 ZINC000484668560 485069887 /nfs/dbraw/zinc/06/98/87/485069887.db2.gz CGJZJXUTSOILAD-UHFFFAOYSA-N 2 0 360.495 -0.050 20 0 FBADRP C[NH+](CC1(C[N@@H+](C)C2(CO)CCOCC2)COC1)C1(CO)CCOCC1 ZINC000484688528 485070295 /nfs/dbraw/zinc/07/02/95/485070295.db2.gz QHSOVUKBVXIDNC-UHFFFAOYSA-N 2 0 372.506 -0.050 20 0 FBADRP C[C@H]([NH3+])[C@H]1CCN(CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C1 ZINC000484942790 485074523 /nfs/dbraw/zinc/07/45/23/485074523.db2.gz CYNFOSIKZZYPGD-KBPBESRZSA-N 3 0 372.477 -0.319 20 0 FBADRP C[C@@H]([NH3+])[C@H]1CCN(CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C1 ZINC000484942796 485073815 /nfs/dbraw/zinc/07/38/15/485073815.db2.gz CYNFOSIKZZYPGD-KGLIPLIRSA-N 3 0 372.477 -0.319 20 0 FBADRP C[C@H]([NH3+])[C@@H]1CCN(CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C1 ZINC000484942799 485073882 /nfs/dbraw/zinc/07/38/82/485073882.db2.gz CYNFOSIKZZYPGD-UONOGXRCSA-N 3 0 372.477 -0.319 20 0 FBADRP C[C@@H]([NH3+])[C@@H]1CCN(CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C1 ZINC000484942801 485074666 /nfs/dbraw/zinc/07/46/66/485074666.db2.gz CYNFOSIKZZYPGD-ZIAGYGMSSA-N 3 0 372.477 -0.319 20 0 FBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NCC[NH+](C)C1CC1 ZINC000485449544 485087757 /nfs/dbraw/zinc/08/77/57/485087757.db2.gz DOOAVIFFGGFVKU-HNNXBMFYSA-N 2 0 367.494 -0.744 20 0 FBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NCC[NH+](C)C1CC1 ZINC000485449545 485087219 /nfs/dbraw/zinc/08/72/19/485087219.db2.gz DOOAVIFFGGFVKU-OAHLLOKOSA-N 2 0 367.494 -0.744 20 0 FBADRP C[N@H+](CCNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1)C1CC1 ZINC000485449895 485087273 /nfs/dbraw/zinc/08/72/73/485087273.db2.gz GLDUBKOZWWFOQM-UHFFFAOYSA-N 2 0 352.479 -0.042 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)NCC[N@H+](C)C2CC2)CCN1C1CC[NH+](C)CC1 ZINC000485461729 485087624 /nfs/dbraw/zinc/08/76/24/485087624.db2.gz AZJOYADAVBEXFJ-HNNXBMFYSA-N 2 0 365.522 -0.176 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)NCC[N@H+](C)C2CC2)CCN1C1CC[NH+](C)CC1 ZINC000485461736 485087638 /nfs/dbraw/zinc/08/76/38/485087638.db2.gz AZJOYADAVBEXFJ-OAHLLOKOSA-N 2 0 365.522 -0.176 20 0 FBADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NCC[NH+](C)C1CC1 ZINC000485476375 485087567 /nfs/dbraw/zinc/08/75/67/485087567.db2.gz FEMLPDSNOVQBBM-CQSZACIVSA-N 2 0 352.479 -0.092 20 0 FBADRP C[N@H+](CCNC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1)C1CC1 ZINC000485510078 485089553 /nfs/dbraw/zinc/08/95/53/485089553.db2.gz MCIFYNMPGUCYPY-UHFFFAOYSA-N 2 0 352.479 -0.232 20 0 FBADRP C[N@H+](CCNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)C1CC1 ZINC000485510925 485089039 /nfs/dbraw/zinc/08/90/39/485089039.db2.gz WTJOZHHXYTVWCL-AWEZNQCLSA-N 2 0 352.479 -0.186 20 0 FBADRP C[N@H+](CCNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)C1CC1 ZINC000485510926 485089622 /nfs/dbraw/zinc/08/96/22/485089622.db2.gz WTJOZHHXYTVWCL-CQSZACIVSA-N 2 0 352.479 -0.186 20 0 FBADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NCC[NH+](C)C1CC1 ZINC000485529048 485088980 /nfs/dbraw/zinc/08/89/80/485088980.db2.gz FEMLPDSNOVQBBM-AWEZNQCLSA-N 2 0 352.479 -0.092 20 0 FBADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NCC[N@H+](C)C3CC3)C2)CC1 ZINC000485536686 485091136 /nfs/dbraw/zinc/09/11/36/485091136.db2.gz MBSLWTAASPRBJA-INIZCTEOSA-N 2 0 351.495 -0.565 20 0 FBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NCC[N@H+](C)C3CC3)C2)CC1 ZINC000485536687 485091010 /nfs/dbraw/zinc/09/10/10/485091010.db2.gz MBSLWTAASPRBJA-MRXNPFEDSA-N 2 0 351.495 -0.565 20 0 FBADRP C[N@H+](CCNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)C1CC1 ZINC000485557898 485090241 /nfs/dbraw/zinc/09/02/41/485090241.db2.gz AJIJRPSMCLRVMZ-HNNXBMFYSA-N 2 0 352.479 -0.232 20 0 FBADRP C[N@H+](CCNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)C1CC1 ZINC000485557899 485090579 /nfs/dbraw/zinc/09/05/79/485090579.db2.gz AJIJRPSMCLRVMZ-OAHLLOKOSA-N 2 0 352.479 -0.232 20 0 FBADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000485560690 485090744 /nfs/dbraw/zinc/09/07/44/485090744.db2.gz IZQRIMWPUWIEBF-UHFFFAOYSA-N 3 0 353.511 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ZINC000485597316 485092733 /nfs/dbraw/zinc/09/27/33/485092733.db2.gz FIRLAMIMAIIYMX-KRWDZBQOSA-N 2 0 365.522 -0.175 20 0 FBADRP C[N@H+](CCNC(=O)C(=O)N1CCN(C[C@H]2CCCC[NH+]2C)CC1)C1CC1 ZINC000485597317 485092317 /nfs/dbraw/zinc/09/23/17/485092317.db2.gz FIRLAMIMAIIYMX-QGZVFWFLSA-N 2 0 365.522 -0.175 20 0 FBADRP C[N@H+](CCNC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1)C1CC1 ZINC000485601953 485091856 /nfs/dbraw/zinc/09/18/56/485091856.db2.gz QKIOHEAQLHLAFJ-UHFFFAOYSA-N 2 0 352.479 -0.232 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)NCC[N@H+](C)C2CC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000485604806 485091707 /nfs/dbraw/zinc/09/17/07/485091707.db2.gz WBZRJGLUWUNALN-DOTOQJQBSA-N 2 0 365.522 -0.319 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)NCC[N@H+](C)C2CC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000485604807 485091562 /nfs/dbraw/zinc/09/15/62/485091562.db2.gz WBZRJGLUWUNALN-NVXWUHKLSA-N 2 0 365.522 -0.319 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)NCC[N@H+](C)C2CC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000485604808 485091746 /nfs/dbraw/zinc/09/17/46/485091746.db2.gz WBZRJGLUWUNALN-RDJZCZTQSA-N 2 0 365.522 -0.319 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)NCC[N@H+](C)C2CC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000485604809 485092717 /nfs/dbraw/zinc/09/27/17/485092717.db2.gz WBZRJGLUWUNALN-WBVHZDCISA-N 2 0 365.522 -0.319 20 0 FBADRP CN1CCC([NH+]2CCC(NC(=O)C(=O)NCC[N@H+](C)C3CC3)CC2)CC1 ZINC000485621873 485093810 /nfs/dbraw/zinc/09/38/10/485093810.db2.gz QVUAGGGGIYDNRX-UHFFFAOYSA-N 2 0 365.522 -0.128 20 0 FBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)NCC[N@H+](C)C2CC2)CC1 ZINC000485624426 483973814 /nfs/dbraw/zinc/97/38/14/483973814.db2.gz HQIMWZGYFJHPJH-UHFFFAOYSA-N 2 0 367.494 -0.744 20 0 FBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)cn1 ZINC000485790796 485096139 /nfs/dbraw/zinc/09/61/39/485096139.db2.gz XGWGUFRIAGDWSO-GFCCVEGCSA-N 2 0 374.449 -0.387 20 0 FBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)cn1 ZINC000485790798 485095564 /nfs/dbraw/zinc/09/55/64/485095564.db2.gz XGWGUFRIAGDWSO-LBPRGKRZSA-N 2 0 374.449 -0.387 20 0 FBADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000485832351 485096211 /nfs/dbraw/zinc/09/62/11/485096211.db2.gz RCFSUKBSYWBCAO-AWEZNQCLSA-N 2 0 360.462 -0.133 20 0 FBADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000485832355 485096000 /nfs/dbraw/zinc/09/60/00/485096000.db2.gz RCFSUKBSYWBCAO-CQSZACIVSA-N 2 0 360.462 -0.133 20 0 FBADRP CNc1nc(NCC2CC[NH+](C)CC2)nc(NCC2CC[NH+](C)CC2)[nH+]1 ZINC000485854499 485095980 /nfs/dbraw/zinc/09/59/80/485095980.db2.gz WLKQRPLEBJLXNB-UHFFFAOYSA-N 3 0 362.526 -0.314 20 0 FBADRP COc1nc(N2C[C@@H]3C[NH+](C)C[C@@H]3C2)nc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)n1 ZINC000485999202 485099615 /nfs/dbraw/zinc/09/96/15/485099615.db2.gz DABYNEDBXPWMJG-NMWPEEMBSA-N 2 0 359.478 -0.124 20 0 FBADRP CNc1nc(N2C[C@@H]3C[NH+](C)C[C@@H]3C2)nc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)n1 ZINC000486003928 485099355 /nfs/dbraw/zinc/09/93/55/485099355.db2.gz MPJPCYDHBZPVKN-NMWPEEMBSA-N 2 0 358.494 -0.669 20 0 FBADRP C[NH+]1CCN(c2cc(C(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)ccn2)CC1 ZINC000486004085 485099137 /nfs/dbraw/zinc/09/91/37/485099137.db2.gz SSMVDUUKIJNKKK-INIZCTEOSA-N 2 0 374.489 -0.097 20 0 FBADRP C[NH+]1CCN(c2cc(C(=O)NCCC[N@@H+]3CCC[C@@H]3C(N)=O)ccn2)CC1 ZINC000486004086 485099300 /nfs/dbraw/zinc/09/93/00/485099300.db2.gz SSMVDUUKIJNKKK-MRXNPFEDSA-N 2 0 374.489 -0.097 20 0 FBADRP CO[C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@H]1C)CNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C ZINC000487041892 485119515 /nfs/dbraw/zinc/11/95/15/485119515.db2.gz XSNRUJLYMLMFDO-FRXHMLBDSA-N 2 0 354.495 -0.371 20 0 FBADRP CO[C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C)CNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C ZINC000487041893 485119973 /nfs/dbraw/zinc/11/99/73/485119973.db2.gz XSNRUJLYMLMFDO-GVRJEKJASA-N 2 0 354.495 -0.371 20 0 FBADRP COC(CNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C)CNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000487041894 485119696 /nfs/dbraw/zinc/11/96/96/485119696.db2.gz XSNRUJLYMLMFDO-WMHQRMGPSA-N 2 0 354.495 -0.371 20 0 FBADRP CO[C@@H](CNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)CNC(=O)[C@@H]1C[NH+](C)C[C@H]1C ZINC000487041895 485120331 /nfs/dbraw/zinc/12/03/31/485120331.db2.gz XSNRUJLYMLMFDO-YIDVYQOGSA-N 2 0 354.495 -0.371 20 0 FBADRP COC[C@H](CNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)NC(=O)[C@H]1C[NH+](C)C[C@@H]1C ZINC000487370138 485126379 /nfs/dbraw/zinc/12/63/79/485126379.db2.gz VCNVJECMIOUUSO-GVRJEKJASA-N 2 0 354.495 -0.371 20 0 FBADRP COC[C@H](CNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)NC(=O)[C@H]1C[NH+](C)C[C@H]1C ZINC000487370139 485126292 /nfs/dbraw/zinc/12/62/92/485126292.db2.gz VCNVJECMIOUUSO-NPJQDHAYSA-N 2 0 354.495 -0.371 20 0 FBADRP COC[C@H](CNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)NC(=O)[C@@H]1C[NH+](C)C[C@@H]1C ZINC000487370140 485126828 /nfs/dbraw/zinc/12/68/28/485126828.db2.gz VCNVJECMIOUUSO-RFBLXINOSA-N 2 0 354.495 -0.371 20 0 FBADRP COC[C@H](CNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)NC(=O)[C@@H]1C[NH+](C)C[C@H]1C ZINC000487370141 485126570 /nfs/dbraw/zinc/12/65/70/485126570.db2.gz VCNVJECMIOUUSO-ZVDSWSACSA-N 2 0 354.495 -0.371 20 0 FBADRP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CC1CC[NH+](C)CC1 ZINC000487667750 485132033 /nfs/dbraw/zinc/13/20/33/485132033.db2.gz PQLDDSNQLQGDBB-UHFFFAOYSA-N 2 0 354.495 -0.033 20 0 FBADRP C[C@@H]1C[N@@H+](C[C@@H](O)CN2CCN(C(=O)C[NH+]3CCCC3)CC2)C[C@H](C)O1 ZINC000488607690 485145693 /nfs/dbraw/zinc/14/56/93/485145693.db2.gz BQTGPBLQEPRYTR-KSZLIROESA-N 2 0 368.522 -0.304 20 0 FBADRP C[C@@H]1C[NH+](C[C@@H](O)CN2CCN(C(=O)C[NH+]3CCCC3)CC2)C[C@@H](C)O1 ZINC000488607692 485145293 /nfs/dbraw/zinc/14/52/93/485145293.db2.gz BQTGPBLQEPRYTR-KURKYZTESA-N 2 0 368.522 -0.304 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCN([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000489856782 485165426 /nfs/dbraw/zinc/16/54/26/485165426.db2.gz HLZVTWSTUMEREU-MSOLQXFVSA-N 2 0 367.538 -0.561 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCN([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000489856787 485165769 /nfs/dbraw/zinc/16/57/69/485165769.db2.gz HLZVTWSTUMEREU-QZTJIDSGSA-N 2 0 367.538 -0.561 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCN([C@H]3CC[NH2+]C3)CC2)C1 ZINC000489856789 485165748 /nfs/dbraw/zinc/16/57/48/485165748.db2.gz HLZVTWSTUMEREU-ROUUACIJSA-N 2 0 367.538 -0.561 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCN([C@H]3CC[NH2+]C3)CC2)C1 ZINC000489856791 485165716 /nfs/dbraw/zinc/16/57/16/485165716.db2.gz HLZVTWSTUMEREU-ZWKOTPCHSA-N 2 0 367.538 -0.561 20 0 FBADRP O=C(CC[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1)NC(=O)NCC(F)(F)F ZINC000489954323 485166190 /nfs/dbraw/zinc/16/61/90/485166190.db2.gz GDTDRNURBDQWRC-LLVKDONJSA-N 2 0 351.373 -0.256 20 0 FBADRP O=C(CC[NH+]1CCN([C@H]2CC[NH2+]C2)CC1)NC(=O)NCC(F)(F)F ZINC000489954326 485166960 /nfs/dbraw/zinc/16/69/60/485166960.db2.gz GDTDRNURBDQWRC-NSHDSACASA-N 2 0 351.373 -0.256 20 0 FBADRP COC(=O)CN(C)C(=O)CC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000490957354 485182410 /nfs/dbraw/zinc/18/24/10/485182410.db2.gz CUGVYFBRRUOWCO-CVEARBPZSA-N 2 0 354.495 -0.034 20 0 FBADRP COC(=O)CN(C)C(=O)CC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000490957355 485183461 /nfs/dbraw/zinc/18/34/61/485183461.db2.gz CUGVYFBRRUOWCO-HOTGVXAUSA-N 2 0 354.495 -0.034 20 0 FBADRP COC(=O)CN(C)C(=O)CC[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000490957356 485183238 /nfs/dbraw/zinc/18/32/38/485183238.db2.gz CUGVYFBRRUOWCO-HZPDHXFCSA-N 2 0 354.495 -0.034 20 0 FBADRP COC(=O)CN(C)C(=O)CC[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000490957357 485183435 /nfs/dbraw/zinc/18/34/35/485183435.db2.gz CUGVYFBRRUOWCO-JKSUJKDBSA-N 2 0 354.495 -0.034 20 0 FBADRP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000492623742 485196004 /nfs/dbraw/zinc/19/60/04/485196004.db2.gz BRZPVIWUKMIJNI-CVEARBPZSA-N 2 0 353.511 -0.332 20 0 FBADRP C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000492623845 485196445 /nfs/dbraw/zinc/19/64/45/485196445.db2.gz BRZPVIWUKMIJNI-HOTGVXAUSA-N 2 0 353.511 -0.332 20 0 FBADRP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000492623846 485196274 /nfs/dbraw/zinc/19/62/74/485196274.db2.gz BRZPVIWUKMIJNI-HZPDHXFCSA-N 2 0 353.511 -0.332 20 0 FBADRP C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000492623847 485195867 /nfs/dbraw/zinc/19/58/67/485195867.db2.gz BRZPVIWUKMIJNI-JKSUJKDBSA-N 2 0 353.511 -0.332 20 0 FBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C2(n3cccn3)CC[NH2+]CC2)C1 ZINC000494032005 485205579 /nfs/dbraw/zinc/20/55/79/485205579.db2.gz HNUYNGVIZBZBBZ-HNNXBMFYSA-N 2 0 362.478 -0.335 20 0 FBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C2(n3cccn3)CC[NH2+]CC2)C1 ZINC000494032010 485205353 /nfs/dbraw/zinc/20/53/53/485205353.db2.gz HNUYNGVIZBZBBZ-OAHLLOKOSA-N 2 0 362.478 -0.335 20 0 FBADRP CO[C@H]1C[C@@H](C(N)=O)[NH+](CCCCC[N@@H+]2C[C@@H](OC)C[C@H]2C(N)=O)C1 ZINC000494569047 484620915 /nfs/dbraw/zinc/62/09/15/484620915.db2.gz CDFCOEFVDZVZNL-AJNGGQMLSA-N 2 0 356.467 -0.694 20 0 FBADRP Cn1nnc(CNC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000494866061 485216470 /nfs/dbraw/zinc/21/64/70/485216470.db2.gz RNBUEQALENIUGZ-UHFFFAOYSA-N 2 0 359.438 -0.383 20 0 FBADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CC(=O)N2CCNC2=O)CC1 ZINC000495039496 485218914 /nfs/dbraw/zinc/21/89/14/485218914.db2.gz ZDBCHPGLFJPONF-UHFFFAOYSA-N 2 0 367.494 -0.046 20 0 FBADRP C[NH+](CCNC(=O)[C@@H]1CC[C@@H](C(=O)NCC[N@@H+](C)C2CC2)O1)C1CC1 ZINC000495136590 485220072 /nfs/dbraw/zinc/22/00/72/485220072.db2.gz IMECUOBFQMMPMC-HOTGVXAUSA-N 2 0 352.479 -0.045 20 0 FBADRP C[NH+](CCNC(=O)[C@H]1CC[C@H](C(=O)NCC[N@@H+](C)C2CC2)O1)C1CC1 ZINC000495136591 485220408 /nfs/dbraw/zinc/22/04/08/485220408.db2.gz IMECUOBFQMMPMC-HZPDHXFCSA-N 2 0 352.479 -0.045 20 0 FBADRP C[NH+](CCNC(=O)[C@@H]1CC[C@H](C(=O)NCC[N@@H+](C)C2CC2)O1)C1CC1 ZINC000495136592 485220224 /nfs/dbraw/zinc/22/02/24/485220224.db2.gz IMECUOBFQMMPMC-IYBDPMFKSA-N 2 0 352.479 -0.045 20 0 FBADRP CC[C@H]1CN(CCNC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CCO1 ZINC000495199272 485221749 /nfs/dbraw/zinc/22/17/49/485221749.db2.gz FNYQTKMNVWBKTR-CVEARBPZSA-N 2 0 369.510 -0.016 20 0 FBADRP CC[C@H]1CN(CCNC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CCO1 ZINC000495199274 485221025 /nfs/dbraw/zinc/22/10/25/485221025.db2.gz FNYQTKMNVWBKTR-HOTGVXAUSA-N 2 0 369.510 -0.016 20 0 FBADRP CC[C@@H]1CN(CCNC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CCO1 ZINC000495199275 485221098 /nfs/dbraw/zinc/22/10/98/485221098.db2.gz FNYQTKMNVWBKTR-HZPDHXFCSA-N 2 0 369.510 -0.016 20 0 FBADRP CC[C@@H]1CN(CCNC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CCO1 ZINC000495199276 485221240 /nfs/dbraw/zinc/22/12/40/485221240.db2.gz FNYQTKMNVWBKTR-JKSUJKDBSA-N 2 0 369.510 -0.016 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000496264247 485231413 /nfs/dbraw/zinc/23/14/13/485231413.db2.gz JWXJJBATKJGIAN-HNNXBMFYSA-N 2 0 353.511 -0.271 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000496264255 485231377 /nfs/dbraw/zinc/23/13/77/485231377.db2.gz JWXJJBATKJGIAN-OAHLLOKOSA-N 2 0 353.511 -0.271 20 0 FBADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000496267355 485230510 /nfs/dbraw/zinc/23/05/10/485230510.db2.gz QFHRECVUMHSXMJ-CVEARBPZSA-N 2 0 367.538 -0.073 20 0 FBADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000496267356 485231391 /nfs/dbraw/zinc/23/13/91/485231391.db2.gz QFHRECVUMHSXMJ-HOTGVXAUSA-N 2 0 367.538 -0.073 20 0 FBADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000496267357 485233047 /nfs/dbraw/zinc/23/30/47/485233047.db2.gz QFHRECVUMHSXMJ-HZPDHXFCSA-N 2 0 367.538 -0.073 20 0 FBADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000496267358 485231718 /nfs/dbraw/zinc/23/17/18/485231718.db2.gz QFHRECVUMHSXMJ-JKSUJKDBSA-N 2 0 367.538 -0.073 20 0 FBADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)C1 ZINC000496267661 485233692 /nfs/dbraw/zinc/23/36/92/485233692.db2.gz RFXRXGXXGJPKAG-INIZCTEOSA-N 2 0 367.538 -0.071 20 0 FBADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)C1 ZINC000496267667 485233742 /nfs/dbraw/zinc/23/37/42/485233742.db2.gz RFXRXGXXGJPKAG-MRXNPFEDSA-N 2 0 367.538 -0.071 20 0 FBADRP C[C@@H]1C[C@H](NC(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)C[N@@H+]1C1CC1 ZINC000496267685 485233357 /nfs/dbraw/zinc/23/33/57/485233357.db2.gz RKDQKQHFHBRKCJ-CABCVRRESA-N 2 0 365.522 -0.130 20 0 FBADRP C[C@H]1C[C@H](NC(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)C[N@@H+]1C1CC1 ZINC000496267690 485233262 /nfs/dbraw/zinc/23/32/62/485233262.db2.gz RKDQKQHFHBRKCJ-GJZGRUSLSA-N 2 0 365.522 -0.130 20 0 FBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)C[N@@H+]1C1CC1 ZINC000496267691 485232658 /nfs/dbraw/zinc/23/26/58/485232658.db2.gz RKDQKQHFHBRKCJ-HUUCEWRRSA-N 2 0 365.522 -0.130 20 0 FBADRP C[C@H]1C[C@@H](NC(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)C[N@@H+]1C1CC1 ZINC000496267693 485232459 /nfs/dbraw/zinc/23/24/59/485232459.db2.gz RKDQKQHFHBRKCJ-LSDHHAIUSA-N 2 0 365.522 -0.130 20 0 FBADRP CC[N@@H+]1CCCN(C(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)CC1 ZINC000496269262 485232835 /nfs/dbraw/zinc/23/28/35/485232835.db2.gz YKDDRAPDPPUJBN-UHFFFAOYSA-N 2 0 353.511 -0.317 20 0 FBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000496283975 485232308 /nfs/dbraw/zinc/23/23/08/485232308.db2.gz MYQKEFTULXNYHA-UHFFFAOYSA-N 2 0 355.527 -0.073 20 0 FBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000496284454 485233652 /nfs/dbraw/zinc/23/36/52/485233652.db2.gz OFTIYXLPDQEUFC-GDBMZVCRSA-N 2 0 365.522 -0.273 20 0 FBADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000496284458 485233536 /nfs/dbraw/zinc/23/35/36/485233536.db2.gz OFTIYXLPDQEUFC-GOEBONIOSA-N 2 0 365.522 -0.273 20 0 FBADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000496284459 485233473 /nfs/dbraw/zinc/23/34/73/485233473.db2.gz OFTIYXLPDQEUFC-HOCLYGCPSA-N 2 0 365.522 -0.273 20 0 FBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000496284460 485232447 /nfs/dbraw/zinc/23/24/47/485232447.db2.gz OFTIYXLPDQEUFC-ZBFHGGJFSA-N 2 0 365.522 -0.273 20 0 FBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000496288031 485232795 /nfs/dbraw/zinc/23/27/95/485232795.db2.gz XVWVKKUWLSVXNW-UHFFFAOYSA-N 2 0 353.511 -0.319 20 0 FBADRP C[C@@H]1[C@@H](NC(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)CCC[N@@H+]1C ZINC000496299077 485231768 /nfs/dbraw/zinc/23/17/68/485231768.db2.gz AIYDXOSNQAYLES-CABCVRRESA-N 2 0 353.511 -0.273 20 0 FBADRP C[C@H]1[C@@H](NC(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)CCC[N@@H+]1C ZINC000496299082 485233316 /nfs/dbraw/zinc/23/33/16/485233316.db2.gz AIYDXOSNQAYLES-GJZGRUSLSA-N 2 0 353.511 -0.273 20 0 FBADRP C[C@@H]1[C@H](NC(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)CCC[N@@H+]1C ZINC000496299084 485231810 /nfs/dbraw/zinc/23/18/10/485231810.db2.gz AIYDXOSNQAYLES-HUUCEWRRSA-N 2 0 353.511 -0.273 20 0 FBADRP C[C@H]1[C@H](NC(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)CCC[N@@H+]1C ZINC000496299085 485232600 /nfs/dbraw/zinc/23/26/00/485232600.db2.gz AIYDXOSNQAYLES-LSDHHAIUSA-N 2 0 353.511 -0.273 20 0 FBADRP C[C@H](NC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C1=CC[NH+](C)CC1 ZINC000496315118 485233581 /nfs/dbraw/zinc/23/35/81/485233581.db2.gz RSNBWOBCPNCPGM-HNNXBMFYSA-N 2 0 365.522 -0.105 20 0 FBADRP C[C@@H](NC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C1=CC[NH+](C)CC1 ZINC000496315119 485232621 /nfs/dbraw/zinc/23/26/21/485232621.db2.gz RSNBWOBCPNCPGM-OAHLLOKOSA-N 2 0 365.522 -0.105 20 0 FBADRP CC1=CC[NH+](CCNC(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000496316450 485233605 /nfs/dbraw/zinc/23/36/05/485233605.db2.gz WEIOVAXZBMSZKX-UHFFFAOYSA-N 2 0 365.522 -0.103 20 0 FBADRP CC(C)[C@@H]1CN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CCN1C ZINC000496322984 485232548 /nfs/dbraw/zinc/23/25/48/485232548.db2.gz HHYXDJBXUILAKB-INIZCTEOSA-N 2 0 367.538 -0.073 20 0 FBADRP CC(C)[C@H]1CN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CCN1C ZINC000496322986 485231844 /nfs/dbraw/zinc/23/18/44/485231844.db2.gz HHYXDJBXUILAKB-MRXNPFEDSA-N 2 0 367.538 -0.073 20 0 FBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000496324209 485232439 /nfs/dbraw/zinc/23/24/39/485232439.db2.gz INRWLEHSEMKPQC-UHFFFAOYSA-N 2 0 355.527 -0.071 20 0 FBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000496334369 485234249 /nfs/dbraw/zinc/23/42/49/485234249.db2.gz VJQHOSVHEGEVGL-OAHLLOKOSA-N 2 0 355.527 -0.025 20 0 FBADRP CC[NH+](CC)CCCNC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000496359013 485234799 /nfs/dbraw/zinc/23/47/99/485234799.db2.gz JXIQFUDWZZPZDE-UHFFFAOYSA-N 2 0 355.527 -0.023 20 0 FBADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000496392016 485235113 /nfs/dbraw/zinc/23/51/13/485235113.db2.gz AGOSRONTIBZAKF-HNNXBMFYSA-N 2 0 353.511 -0.319 20 0 FBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000496392017 485234102 /nfs/dbraw/zinc/23/41/02/485234102.db2.gz AGOSRONTIBZAKF-OAHLLOKOSA-N 2 0 353.511 -0.319 20 0 FBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000496393717 485234706 /nfs/dbraw/zinc/23/47/06/485234706.db2.gz JACDTCBNDOCCFF-UHFFFAOYSA-N 2 0 371.526 -0.835 20 0 FBADRP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)C1 ZINC000496393736 485233997 /nfs/dbraw/zinc/23/39/97/485233997.db2.gz JKAKRKMUOSPOCN-INIZCTEOSA-N 2 0 367.538 -0.023 20 0 FBADRP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)C1 ZINC000496393737 485234270 /nfs/dbraw/zinc/23/42/70/485234270.db2.gz JKAKRKMUOSPOCN-MRXNPFEDSA-N 2 0 367.538 -0.023 20 0 FBADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000496394834 485235131 /nfs/dbraw/zinc/23/51/31/485235131.db2.gz NIUQTFPWHONPGK-INIZCTEOSA-N 2 0 367.538 -0.071 20 0 FBADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000496394836 485235338 /nfs/dbraw/zinc/23/53/38/485235338.db2.gz NIUQTFPWHONPGK-MRXNPFEDSA-N 2 0 367.538 -0.071 20 0 FBADRP CN(C(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000496395266 485235195 /nfs/dbraw/zinc/23/51/95/485235195.db2.gz OYYRHVAMPYIKAU-INIZCTEOSA-N 2 0 365.522 -0.176 20 0 FBADRP CN(C(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000496395267 485235312 /nfs/dbraw/zinc/23/53/12/485235312.db2.gz OYYRHVAMPYIKAU-MRXNPFEDSA-N 2 0 365.522 -0.176 20 0 FBADRP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000496395554 485234116 /nfs/dbraw/zinc/23/41/16/485234116.db2.gz QEHDLECRQXWEOM-UHFFFAOYSA-N 2 0 367.538 -0.071 20 0 FBADRP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000496409117 485234206 /nfs/dbraw/zinc/23/42/06/485234206.db2.gz ACTMYJNUHSREMC-HNNXBMFYSA-N 2 0 353.511 -0.319 20 0 FBADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000496409118 485234341 /nfs/dbraw/zinc/23/43/41/485234341.db2.gz ACTMYJNUHSREMC-OAHLLOKOSA-N 2 0 353.511 -0.319 20 0 FBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000496413079 485235387 /nfs/dbraw/zinc/23/53/87/485235387.db2.gz SPPXNQRNUCDWTB-UHFFFAOYSA-N 2 0 353.511 -0.317 20 0 FBADRP CC[N@H+](CCNC(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1)C(C)C ZINC000496413674 485234410 /nfs/dbraw/zinc/23/44/10/485234410.db2.gz UYOKQWAPMSYLAG-UHFFFAOYSA-N 2 0 355.527 -0.025 20 0 FBADRP CC(C)C[C@H](NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)C(=O)NCC[NH+](C)C ZINC000497433881 483510233 /nfs/dbraw/zinc/51/02/33/483510233.db2.gz QKRXEUGCYKDBTF-HOTGVXAUSA-N 2 0 353.511 -0.415 20 0 FBADRP CC(C)C[C@H](NC(=O)[C@H]1C[N@@H+]2CCN1CCC2)C(=O)NCC[NH+](C)C ZINC000497433930 483509583 /nfs/dbraw/zinc/50/95/83/483509583.db2.gz QKRXEUGCYKDBTF-JKSUJKDBSA-N 2 0 353.511 -0.415 20 0 FBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)[C@@H](C)C1 ZINC000497851102 483549883 /nfs/dbraw/zinc/54/98/83/483549883.db2.gz DXBNNIHBGQRVKZ-HRCADAONSA-N 2 0 369.510 -0.330 20 0 FBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)[C@@H](C)C1 ZINC000497851103 483549789 /nfs/dbraw/zinc/54/97/89/483549789.db2.gz DXBNNIHBGQRVKZ-JYJNAYRXSA-N 2 0 369.510 -0.330 20 0 FBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)[C@H](C)C1 ZINC000497851104 483549561 /nfs/dbraw/zinc/54/95/61/483549561.db2.gz DXBNNIHBGQRVKZ-OWCLPIDISA-N 2 0 369.510 -0.330 20 0 FBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)[C@H](C)C1 ZINC000497851105 483549426 /nfs/dbraw/zinc/54/94/26/483549426.db2.gz DXBNNIHBGQRVKZ-PMPSAXMXSA-N 2 0 369.510 -0.330 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CN1C(=O)C(=O)N(C)C1=O ZINC000498167978 484686939 /nfs/dbraw/zinc/68/69/39/484686939.db2.gz XMFQEMOOSDZHOC-CYBMUJFWSA-N 2 0 367.450 -0.719 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CN1C(=O)C(=O)N(C)C1=O ZINC000498167982 484686559 /nfs/dbraw/zinc/68/65/59/484686559.db2.gz XMFQEMOOSDZHOC-ZDUSSCGKSA-N 2 0 367.450 -0.719 20 0 FBADRP CC1=CC[NH+](CCNC(=O)C(=O)N2CCC([N@H+](C)CCO)CC2)CC1 ZINC000498952959 485248453 /nfs/dbraw/zinc/24/84/53/485248453.db2.gz BZUIISSUYSTHJX-UHFFFAOYSA-N 2 0 352.479 -0.330 20 0 FBADRP CN(CC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)S(C)(=O)=O ZINC000500002655 485268836 /nfs/dbraw/zinc/26/88/36/485268836.db2.gz 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ZINC000500278125 485274767 /nfs/dbraw/zinc/27/47/67/485274767.db2.gz OHWPRLJLVVOQOT-UHFFFAOYSA-N 2 0 365.482 -0.731 20 0 FBADRP CCN1CCN(C(=O)[C@H](C)N2CCC[C@@H](CNS(N)(=O)=O)C2)CC1 ZINC000500323836 485277543 /nfs/dbraw/zinc/27/75/43/485277543.db2.gz RIFCNUVBQQEGAO-KBPBESRZSA-N 2 0 361.512 -0.956 20 0 FBADRP CCN1CCN(C(=O)[C@@H](C)N2CCC[C@@H](CNS(N)(=O)=O)C2)CC1 ZINC000500323841 485277331 /nfs/dbraw/zinc/27/73/31/485277331.db2.gz RIFCNUVBQQEGAO-KGLIPLIRSA-N 2 0 361.512 -0.956 20 0 FBADRP CCN1CCN(C(=O)[C@H](C)N2CCC[C@H](CNS(N)(=O)=O)C2)CC1 ZINC000500323843 485277683 /nfs/dbraw/zinc/27/76/83/485277683.db2.gz RIFCNUVBQQEGAO-UONOGXRCSA-N 2 0 361.512 -0.956 20 0 FBADRP CCN1CCN(C(=O)[C@@H](C)N2CCC[C@H](CNS(N)(=O)=O)C2)CC1 ZINC000500323845 485278052 /nfs/dbraw/zinc/27/80/52/485278052.db2.gz RIFCNUVBQQEGAO-ZIAGYGMSSA-N 2 0 361.512 -0.956 20 0 FBADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NCC3([NH+](C)C)CCC3)C2)CC1 ZINC000500433164 485281301 /nfs/dbraw/zinc/28/13/01/485281301.db2.gz SFWAEHYGGPGYBI-INIZCTEOSA-N 2 0 365.522 -0.175 20 0 FBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NCC3([NH+](C)C)CCC3)C2)CC1 ZINC000500433165 485280990 /nfs/dbraw/zinc/28/09/90/485280990.db2.gz SFWAEHYGGPGYBI-MRXNPFEDSA-N 2 0 365.522 -0.175 20 0 FBADRP C[NH+](C)C1(CNC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CCC1 ZINC000500440209 485280667 /nfs/dbraw/zinc/28/06/67/485280667.db2.gz ITGQLUZECGZHBQ-UHFFFAOYSA-N 2 0 353.511 -0.271 20 0 FBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000500459618 485281920 /nfs/dbraw/zinc/28/19/20/485281920.db2.gz VUYKQQGVNDHFNT-INIZCTEOSA-N 2 0 367.538 -0.023 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000500459627 485281992 /nfs/dbraw/zinc/28/19/92/485281992.db2.gz VUYKQQGVNDHFNT-MRXNPFEDSA-N 2 0 367.538 -0.023 20 0 FBADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)CCC1 ZINC000500771560 485288986 /nfs/dbraw/zinc/28/89/86/485288986.db2.gz KWEKFBOSKYCJKX-UHFFFAOYSA-N 2 0 354.495 -0.108 20 0 FBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000500777457 485288967 /nfs/dbraw/zinc/28/89/67/485288967.db2.gz DVKNQEGSNFUDHZ-UHFFFAOYSA-N 2 0 353.511 -0.317 20 0 FBADRP CC(C)[C@H](CNC(=O)C(=O)NCC1([NH+](C)C)CCC1)N1CC[NH+](C)CC1 ZINC000500784683 485290149 /nfs/dbraw/zinc/29/01/49/485290149.db2.gz ZYKCKXFFDFLVSW-INIZCTEOSA-N 2 0 367.538 -0.025 20 0 FBADRP CC(C)[C@@H](CNC(=O)C(=O)NCC1([NH+](C)C)CCC1)N1CC[NH+](C)CC1 ZINC000500784684 485289837 /nfs/dbraw/zinc/28/98/37/485289837.db2.gz ZYKCKXFFDFLVSW-MRXNPFEDSA-N 2 0 367.538 -0.025 20 0 FBADRP C[C@@H]1CN(CCN2CC[N@H+](CCN3CCO[C@H](C)C3)CC(O)C2)CCO1 ZINC000501040431 485294106 /nfs/dbraw/zinc/29/41/06/485294106.db2.gz ZPRCGCDODDPUIO-QZTJIDSGSA-N 2 0 370.538 -0.594 20 0 FBADRP C[C@H]1CN(CCN2CC[N@H+](CCN3CCO[C@@H](C)C3)CC(O)C2)CCO1 ZINC000501040432 485294142 /nfs/dbraw/zinc/29/41/42/485294142.db2.gz ZPRCGCDODDPUIO-ROUUACIJSA-N 2 0 370.538 -0.594 20 0 FBADRP C[N@H+](CC(=O)NCCCC[NH+]1CCN(CCO)CC1)[C@H]1CCSC1 ZINC000501511801 485303150 /nfs/dbraw/zinc/30/31/50/485303150.db2.gz RKWHMBLZGQARIH-INIZCTEOSA-N 2 0 358.552 -0.070 20 0 FBADRP C[N@H+](CC(=O)NCCCC[NH+]1CCN(CCO)CC1)[C@@H]1CCSC1 ZINC000501511807 485303344 /nfs/dbraw/zinc/30/33/44/485303344.db2.gz RKWHMBLZGQARIH-MRXNPFEDSA-N 2 0 358.552 -0.070 20 0 FBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000501978017 483904714 /nfs/dbraw/zinc/90/47/14/483904714.db2.gz UNPZIBLSCDNHDF-HNNXBMFYSA-N 2 0 354.495 -0.129 20 0 FBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000501978018 483904977 /nfs/dbraw/zinc/90/49/77/483904977.db2.gz UNPZIBLSCDNHDF-OAHLLOKOSA-N 2 0 354.495 -0.129 20 0 FBADRP CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)NCCOCC[NH+](C)C)C2 ZINC000502604482 483923291 /nfs/dbraw/zinc/92/32/91/483923291.db2.gz SCQHIRPGLBUSFN-MQVJKMGUSA-N 2 0 369.510 -0.053 20 0 FBADRP CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000502840099 483928690 /nfs/dbraw/zinc/92/86/90/483928690.db2.gz ICLCWTKSAUQTDT-ARFHVFGLSA-N 2 0 354.495 -0.036 20 0 FBADRP CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000502840100 483928650 /nfs/dbraw/zinc/92/86/50/483928650.db2.gz ICLCWTKSAUQTDT-BZUAXINKSA-N 2 0 354.495 -0.036 20 0 FBADRP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000502840101 483929559 /nfs/dbraw/zinc/92/95/59/483929559.db2.gz ICLCWTKSAUQTDT-OAGGEKHMSA-N 2 0 354.495 -0.036 20 0 FBADRP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000502840102 483929296 /nfs/dbraw/zinc/92/92/96/483929296.db2.gz ICLCWTKSAUQTDT-XHSDSOJGSA-N 2 0 354.495 -0.036 20 0 FBADRP NC(=O)[C@]1(O)CC[N@H+](CC(=O)N2CCN(Cc3ccsc3)CC2)C1 ZINC000502880140 483930600 /nfs/dbraw/zinc/93/06/00/483930600.db2.gz CKGSGBLOORZXJA-INIZCTEOSA-N 2 0 352.460 -0.686 20 0 FBADRP NC(=O)[C@@]1(O)CC[N@H+](CC(=O)N2CCN(Cc3ccsc3)CC2)C1 ZINC000502880144 483931113 /nfs/dbraw/zinc/93/11/13/483931113.db2.gz CKGSGBLOORZXJA-MRXNPFEDSA-N 2 0 352.460 -0.686 20 0 FBADRP COCC[N@H+](C)CCNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000503038643 483936211 /nfs/dbraw/zinc/93/62/11/483936211.db2.gz WJQNBSMCKRGTKH-UHFFFAOYSA-N 2 0 355.483 -0.486 20 0 FBADRP COCC[N@H+](C)CCCNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000503385781 483946284 /nfs/dbraw/zinc/94/62/84/483946284.db2.gz KTQVBWYQHPDIEO-UHFFFAOYSA-N 2 0 369.510 -0.096 20 0 FBADRP C[NH+](C)CCOc1cccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)c1 ZINC000504562209 483984794 /nfs/dbraw/zinc/98/47/94/483984794.db2.gz XOYIFKZJKACSQP-GOSISDBHSA-N 2 0 366.462 -0.006 20 0 FBADRP C[NH+](C)CCOc1cccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)c1 ZINC000504562210 483984199 /nfs/dbraw/zinc/98/41/99/483984199.db2.gz XOYIFKZJKACSQP-SFHVURJKSA-N 2 0 366.462 -0.006 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CNC(=O)CNC(C)=O ZINC000505759900 484013388 /nfs/dbraw/zinc/01/33/88/484013388.db2.gz IAJCWJVRANUISC-HNNXBMFYSA-N 2 0 355.483 -0.887 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CNC(=O)CNC(C)=O ZINC000505759901 484013482 /nfs/dbraw/zinc/01/34/82/484013482.db2.gz IAJCWJVRANUISC-OAHLLOKOSA-N 2 0 355.483 -0.887 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CN1CCCS1(=O)=O ZINC000505816981 484013303 /nfs/dbraw/zinc/01/33/03/484013303.db2.gz DLODCRXTVAEAHN-HNNXBMFYSA-N 2 0 360.524 -0.104 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CN1CCCS1(=O)=O ZINC000505816982 484013697 /nfs/dbraw/zinc/01/36/97/484013697.db2.gz DLODCRXTVAEAHN-OAHLLOKOSA-N 2 0 360.524 -0.104 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CN1C(=O)CN(C)C1=O ZINC000505826605 484013610 /nfs/dbraw/zinc/01/36/10/484013610.db2.gz TYSYFJYGWBOCJE-AWEZNQCLSA-N 2 0 353.467 -0.245 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CN1C(=O)CN(C)C1=O ZINC000505826606 484013900 /nfs/dbraw/zinc/01/39/00/484013900.db2.gz TYSYFJYGWBOCJE-CQSZACIVSA-N 2 0 353.467 -0.245 20 0 FBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NC[C@](C)(O)C[NH+](C)C)CC1 ZINC000506122013 484023541 /nfs/dbraw/zinc/02/35/41/484023541.db2.gz XGUSPCWLMHEKCQ-KRWDZBQOSA-N 2 0 357.499 -0.459 20 0 FBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NC[C@@](C)(O)C[NH+](C)C)CC1 ZINC000506122014 484024442 /nfs/dbraw/zinc/02/44/42/484024442.db2.gz XGUSPCWLMHEKCQ-QGZVFWFLSA-N 2 0 357.499 -0.459 20 0 FBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000506469765 484031500 /nfs/dbraw/zinc/03/15/00/484031500.db2.gz LJXCESPOMBSBSU-PBHICJAKSA-N 2 0 357.499 -0.459 20 0 FBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000506469766 484031542 /nfs/dbraw/zinc/03/15/42/484031542.db2.gz LJXCESPOMBSBSU-RHSMWYFYSA-N 2 0 357.499 -0.459 20 0 FBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000506469767 484031966 /nfs/dbraw/zinc/03/19/66/484031966.db2.gz LJXCESPOMBSBSU-WMLDXEAASA-N 2 0 357.499 -0.459 20 0 FBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000506469769 484032322 /nfs/dbraw/zinc/03/23/22/484032322.db2.gz LJXCESPOMBSBSU-YOEHRIQHSA-N 2 0 357.499 -0.459 20 0 FBADRP CC[NH+]1CCC(NC(=O)C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)CC1 ZINC000507370586 484049995 /nfs/dbraw/zinc/04/99/95/484049995.db2.gz JNFQJWUDZASKKL-UHFFFAOYSA-N 3 0 367.538 -0.023 20 0 FBADRP C[NH+](C)CCNC(=O)C1CC[NH+](CCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000507385717 484051330 /nfs/dbraw/zinc/05/13/30/484051330.db2.gz KQWLPBRXRDOORA-UHFFFAOYSA-N 2 0 353.467 -0.293 20 0 FBADRP C[NH+](C)CCNC(=O)C1CC[NH+](CCn2nc3ccccn3c2=O)CC1 ZINC000507388946 484051286 /nfs/dbraw/zinc/05/12/86/484051286.db2.gz YWJBAKUYLSOFIS-UHFFFAOYSA-N 2 0 360.462 -0.114 20 0 FBADRP C[C@H](C(=O)NC(=O)NC1CC1)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000507393664 484051042 /nfs/dbraw/zinc/05/10/42/484051042.db2.gz VPHLHHBLCBVPNQ-GFCCVEGCSA-N 2 0 353.467 -0.247 20 0 FBADRP C[C@@H](C(=O)NC(=O)NC1CC1)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000507393666 484051712 /nfs/dbraw/zinc/05/17/12/484051712.db2.gz VPHLHHBLCBVPNQ-LBPRGKRZSA-N 2 0 353.467 -0.247 20 0 FBADRP CC(C)NC(=O)NC(=O)[C@@H](C)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000507421402 484053659 /nfs/dbraw/zinc/05/36/59/484053659.db2.gz FMENJPDDGDQSQS-CYBMUJFWSA-N 2 0 355.483 -0.001 20 0 FBADRP CC(C)NC(=O)NC(=O)[C@H](C)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000507421403 484052701 /nfs/dbraw/zinc/05/27/01/484052701.db2.gz FMENJPDDGDQSQS-ZDUSSCGKSA-N 2 0 355.483 -0.001 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCC[N@H+](C)CCOC)CC1 ZINC000509714140 484109986 /nfs/dbraw/zinc/10/99/86/484109986.db2.gz RRXDHBPDKUGOQB-UHFFFAOYSA-N 2 0 357.499 -0.240 20 0 FBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000509784287 484113905 /nfs/dbraw/zinc/11/39/05/484113905.db2.gz WVAQFLHBNLNGPE-HIFRSBDPSA-N 2 0 355.483 -0.855 20 0 FBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000509784288 484114396 /nfs/dbraw/zinc/11/43/96/484114396.db2.gz WVAQFLHBNLNGPE-ZFWWWQNUSA-N 2 0 355.483 -0.855 20 0 FBADRP CC[NH+](CC(=O)N1CCN(C(=O)C[N@H+](CC)C[C@H](C)O)CC1)C[C@H](C)O ZINC000510106943 484121375 /nfs/dbraw/zinc/12/13/75/484121375.db2.gz WKKQFDLFONWFOJ-HOTGVXAUSA-N 2 0 372.510 -0.937 20 0 FBADRP CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)NC[C@@](C)(O)C[NH+](C)C)C2 ZINC000510500573 484133480 /nfs/dbraw/zinc/13/34/80/484133480.db2.gz LEZKYNVAKJCOQP-KRWWSPQJSA-N 2 0 369.510 -0.318 20 0 FBADRP CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)NC[C@](C)(O)C[NH+](C)C)C2 ZINC000510500577 484133569 /nfs/dbraw/zinc/13/35/69/484133569.db2.gz LEZKYNVAKJCOQP-MUSFGAPCSA-N 2 0 369.510 -0.318 20 0 FBADRP CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCCC[NH+]1CCN(CCO)CC1 ZINC000512242216 484179383 /nfs/dbraw/zinc/17/93/83/484179383.db2.gz HICOHKYOAPOAAL-HNNXBMFYSA-N 2 0 357.499 -0.411 20 0 FBADRP CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCCC[NH+]1CCN(CCO)CC1 ZINC000512242231 484179403 /nfs/dbraw/zinc/17/94/03/484179403.db2.gz HICOHKYOAPOAAL-OAHLLOKOSA-N 2 0 357.499 -0.411 20 0 FBADRP C[C@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)C(=O)NC(=O)NC(C)(C)C ZINC000512244106 484178994 /nfs/dbraw/zinc/17/89/94/484178994.db2.gz QNCFLGGIQOKGQJ-HNNXBMFYSA-N 2 0 371.526 -0.021 20 0 FBADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)C(=O)NC(=O)NC(C)(C)C ZINC000512244107 484179338 /nfs/dbraw/zinc/17/93/38/484179338.db2.gz QNCFLGGIQOKGQJ-OAHLLOKOSA-N 2 0 371.526 -0.021 20 0 FBADRP C[C@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)C(=O)NC(=O)NC1CC1 ZINC000512246674 484179266 /nfs/dbraw/zinc/17/92/66/484179266.db2.gz ZICTVYFQQFATNS-AWEZNQCLSA-N 2 0 355.483 -0.657 20 0 FBADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)C(=O)NC(=O)NC1CC1 ZINC000512246680 484180315 /nfs/dbraw/zinc/18/03/15/484180315.db2.gz ZICTVYFQQFATNS-CQSZACIVSA-N 2 0 355.483 -0.657 20 0 FBADRP O=C(NCCCC[NH+]1CCN(CCO)CC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000512849834 484197396 /nfs/dbraw/zinc/19/73/96/484197396.db2.gz BIAANLRAHDLHIP-KRWDZBQOSA-N 2 0 353.511 -0.134 20 0 FBADRP O=C(NCCCC[NH+]1CCN(CCO)CC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000512849835 484197457 /nfs/dbraw/zinc/19/74/57/484197457.db2.gz BIAANLRAHDLHIP-QGZVFWFLSA-N 2 0 353.511 -0.134 20 0 FBADRP CN(C)S(=O)(=O)CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000513236096 484205302 /nfs/dbraw/zinc/20/53/02/484205302.db2.gz URYMRHWQWDZZRR-CABCVRRESA-N 2 0 360.524 -0.152 20 0 FBADRP CN(C)S(=O)(=O)CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000513236097 484206180 /nfs/dbraw/zinc/20/61/80/484206180.db2.gz URYMRHWQWDZZRR-GJZGRUSLSA-N 2 0 360.524 -0.152 20 0 FBADRP CN(C)S(=O)(=O)CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000513236098 484205317 /nfs/dbraw/zinc/20/53/17/484205317.db2.gz URYMRHWQWDZZRR-HUUCEWRRSA-N 2 0 360.524 -0.152 20 0 FBADRP CN(C)S(=O)(=O)CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000513236099 484205480 /nfs/dbraw/zinc/20/54/80/484205480.db2.gz URYMRHWQWDZZRR-LSDHHAIUSA-N 2 0 360.524 -0.152 20 0 FBADRP CO[C@@H](C)C[NH+](C)CC(=O)N1CCN(C(=O)C[N@@H+](C)C[C@H](C)OC)CC1 ZINC000513236835 484205457 /nfs/dbraw/zinc/20/54/57/484205457.db2.gz PHPQJPGIJPKYHQ-HOTGVXAUSA-N 2 0 372.510 -0.409 20 0 FBADRP CO[C@H](C)C[NH+](C)CC(=O)N1CCN(C(=O)C[N@@H+](C)C[C@@H](C)OC)CC1 ZINC000513236836 484206513 /nfs/dbraw/zinc/20/65/13/484206513.db2.gz PHPQJPGIJPKYHQ-HZPDHXFCSA-N 2 0 372.510 -0.409 20 0 FBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)CN1CCS(=O)(=O)CC1 ZINC000513410452 484210217 /nfs/dbraw/zinc/21/02/17/484210217.db2.gz IQTWOWRFCMTKAR-UHFFFAOYSA-N 2 0 362.540 -0.551 20 0 FBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCCN1CCOCC1 ZINC000513916706 484222717 /nfs/dbraw/zinc/22/27/17/484222717.db2.gz LQXWWESUQGGVPI-HNNXBMFYSA-N 2 0 355.483 -0.440 20 0 FBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCCN1CCOCC1 ZINC000513916707 484223883 /nfs/dbraw/zinc/22/38/83/484223883.db2.gz LQXWWESUQGGVPI-OAHLLOKOSA-N 2 0 355.483 -0.440 20 0 FBADRP CN1CCN(C(=O)CC[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)CC1 ZINC000514083461 484298625 /nfs/dbraw/zinc/29/86/25/484298625.db2.gz NKJRWPVXQMLKGJ-UHFFFAOYSA-N 2 0 353.511 -0.460 20 0 FBADRP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C ZINC000514552509 484522485 /nfs/dbraw/zinc/52/24/85/484522485.db2.gz WMNPPYGXNWBFRU-CYBMUJFWSA-N 2 0 352.435 -0.266 20 0 FBADRP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@H](O)C[NH+](C)C ZINC000514552513 484522463 /nfs/dbraw/zinc/52/24/63/484522463.db2.gz WMNPPYGXNWBFRU-ZDUSSCGKSA-N 2 0 352.435 -0.266 20 0 FBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000514609394 484530113 /nfs/dbraw/zinc/53/01/13/484530113.db2.gz GMRZWSGUEQJDOM-NVXWUHKLSA-N 2 0 365.522 -0.319 20 0 FBADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000514609395 484529921 /nfs/dbraw/zinc/52/99/21/484529921.db2.gz GMRZWSGUEQJDOM-RDJZCZTQSA-N 2 0 365.522 -0.319 20 0 FBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000514609396 484529895 /nfs/dbraw/zinc/52/98/95/484529895.db2.gz GMRZWSGUEQJDOM-WBVHZDCISA-N 2 0 365.522 -0.319 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H](C)CC[NH+](C)C)CC1 ZINC000514610260 484530247 /nfs/dbraw/zinc/53/02/47/484530247.db2.gz SMUOCPCSARNZFL-HNNXBMFYSA-N 2 0 369.510 -0.545 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H](C)CC[NH+](C)C)CC1 ZINC000514610261 484530038 /nfs/dbraw/zinc/53/00/38/484530038.db2.gz SMUOCPCSARNZFL-OAHLLOKOSA-N 2 0 369.510 -0.545 20 0 FBADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000514722583 485278751 /nfs/dbraw/zinc/27/87/51/485278751.db2.gz QNVIVSGAQPDYMW-FZKCQIBNSA-N 2 0 353.511 -0.430 20 0 FBADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000514722584 485278715 /nfs/dbraw/zinc/27/87/15/485278715.db2.gz QNVIVSGAQPDYMW-QKPAOTATSA-N 2 0 353.511 -0.430 20 0 FBADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000514722585 485278535 /nfs/dbraw/zinc/27/85/35/485278535.db2.gz QNVIVSGAQPDYMW-QXSJWSMHSA-N 2 0 353.511 -0.430 20 0 FBADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000514722586 485278900 /nfs/dbraw/zinc/27/89/00/485278900.db2.gz QNVIVSGAQPDYMW-XUWVNRHRSA-N 2 0 353.511 -0.430 20 0 FBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)NCCOCC[NH+](C)C)CC1 ZINC000514735456 485278352 /nfs/dbraw/zinc/27/83/52/485278352.db2.gz DJMLJRSXYRXNAE-UHFFFAOYSA-N 2 0 357.499 -0.146 20 0 FBADRP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[C@@H]4CC[N@H+](C)C[C@H]43)C[C@H]2[NH3+])cn1 ZINC000514789053 485279465 /nfs/dbraw/zinc/27/94/65/485279465.db2.gz UAKJXZDKWUVXRA-ARLBYUKCSA-N 2 0 360.462 -0.774 20 0 FBADRP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[C@H]4CC[N@H+](C)C[C@@H]43)C[C@H]2[NH3+])cn1 ZINC000514789054 485279547 /nfs/dbraw/zinc/27/95/47/485279547.db2.gz UAKJXZDKWUVXRA-BVUBDWEXSA-N 2 0 360.462 -0.774 20 0 FBADRP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[C@@H]4CC[N@H+](C)C[C@@H]43)C[C@H]2[NH3+])cn1 ZINC000514789055 485279697 /nfs/dbraw/zinc/27/96/97/485279697.db2.gz UAKJXZDKWUVXRA-HNKHHVNMSA-N 2 0 360.462 -0.774 20 0 FBADRP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[C@H]4CC[N@H+](C)C[C@H]43)C[C@H]2[NH3+])cn1 ZINC000514789056 485279812 /nfs/dbraw/zinc/27/98/12/485279812.db2.gz UAKJXZDKWUVXRA-SLBVQIDZSA-N 2 0 360.462 -0.774 20 0 FBADRP C[NH+](C)CC[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)C(C)(C)C ZINC000514798234 485280514 /nfs/dbraw/zinc/28/05/14/485280514.db2.gz HKGJFBIAENSSJN-IHRRRGAJSA-N 2 0 367.494 -0.761 20 0 FBADRP C[NH+](C)CC[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)C(C)(C)C ZINC000514798235 485281220 /nfs/dbraw/zinc/28/12/20/485281220.db2.gz HKGJFBIAENSSJN-MCIONIFRSA-N 2 0 367.494 -0.761 20 0 FBADRP C[NH+](C)CC[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)C(C)(C)C ZINC000514798236 485280615 /nfs/dbraw/zinc/28/06/15/485280615.db2.gz HKGJFBIAENSSJN-MJBXVCDLSA-N 2 0 367.494 -0.761 20 0 FBADRP C[NH+](C)CC[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)C(C)(C)C ZINC000514798237 485281158 /nfs/dbraw/zinc/28/11/58/485281158.db2.gz HKGJFBIAENSSJN-RDBSUJKOSA-N 2 0 367.494 -0.761 20 0 FBADRP COC1(C(=O)Nc2cccc(S(=O)(=O)NCC[NH3+])c2)CC[NH2+]CC1 ZINC000514861878 485282081 /nfs/dbraw/zinc/28/20/81/485282081.db2.gz VKQAIYPWLGLRPL-UHFFFAOYSA-N 2 0 356.448 -0.369 20 0 FBADRP C[C@@H](CNC(=O)c1cc(S(=O)(=O)NC[C@H](C)[NH+](C)C)c[nH]1)[NH+](C)C ZINC000514911757 485283624 /nfs/dbraw/zinc/28/36/24/485283624.db2.gz BUPWLEJZKZPFKY-RYUDHWBXSA-N 2 0 359.496 -0.077 20 0 FBADRP CN1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000514925479 485285075 /nfs/dbraw/zinc/28/50/75/485285075.db2.gz OTZGISWXCMGZIA-DLBZAZTESA-N 2 0 359.474 -0.522 20 0 FBADRP CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000514925480 485284900 /nfs/dbraw/zinc/28/49/00/485284900.db2.gz OTZGISWXCMGZIA-IAGOWNOFSA-N 2 0 359.474 -0.522 20 0 FBADRP CN1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000514925481 485284591 /nfs/dbraw/zinc/28/45/91/485284591.db2.gz OTZGISWXCMGZIA-IRXDYDNUSA-N 2 0 359.474 -0.522 20 0 FBADRP CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000514925482 485284647 /nfs/dbraw/zinc/28/46/47/485284647.db2.gz OTZGISWXCMGZIA-SJORKVTESA-N 2 0 359.474 -0.522 20 0 FBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000514937078 485285421 /nfs/dbraw/zinc/28/54/21/485285421.db2.gz GNJCMRHIQBOEBZ-GPANFISMSA-N 2 0 351.495 -0.423 20 0 FBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000514937079 485285795 /nfs/dbraw/zinc/28/57/95/485285795.db2.gz GNJCMRHIQBOEBZ-UYSNPLJNSA-N 2 0 351.495 -0.423 20 0 FBADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N3CCC(CC[NH3+])CC3)C2)CC1 ZINC000514947013 485284847 /nfs/dbraw/zinc/28/48/47/485284847.db2.gz SFGRVILCSHKCAP-KRWDZBQOSA-N 2 0 365.522 -0.188 20 0 FBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N3CCC(CC[NH3+])CC3)C2)CC1 ZINC000514947014 485284371 /nfs/dbraw/zinc/28/43/71/485284371.db2.gz SFGRVILCSHKCAP-QGZVFWFLSA-N 2 0 365.522 -0.188 20 0 FBADRP C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000515005088 485286005 /nfs/dbraw/zinc/28/60/05/485286005.db2.gz YZQGRHBPOWSLAR-BZUAXINKSA-N 2 0 367.494 -0.441 20 0 FBADRP C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000515005089 485285433 /nfs/dbraw/zinc/28/54/33/485285433.db2.gz YZQGRHBPOWSLAR-OAGGEKHMSA-N 2 0 367.494 -0.441 20 0 FBADRP C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000515005090 485285464 /nfs/dbraw/zinc/28/54/64/485285464.db2.gz YZQGRHBPOWSLAR-OWCLPIDISA-N 2 0 367.494 -0.441 20 0 FBADRP C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000515005091 485285762 /nfs/dbraw/zinc/28/57/62/485285762.db2.gz YZQGRHBPOWSLAR-PMPSAXMXSA-N 2 0 367.494 -0.441 20 0 FBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCN([C@@H]4CC[NH2+]C4)CC3)CC[C@H]21 ZINC000515053552 485287107 /nfs/dbraw/zinc/28/71/07/485287107.db2.gz PHNAQFDQQMDLQY-BRWVUGGUSA-N 2 0 363.506 -0.565 20 0 FBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCN([C@H]4CC[NH2+]C4)CC3)CC[C@@H]21 ZINC000515053553 485286559 /nfs/dbraw/zinc/28/65/59/485286559.db2.gz PHNAQFDQQMDLQY-IKGGRYGDSA-N 2 0 363.506 -0.565 20 0 FBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCN([C@H]4CC[NH2+]C4)CC3)CC[C@H]21 ZINC000515053554 485287494 /nfs/dbraw/zinc/28/74/94/485287494.db2.gz PHNAQFDQQMDLQY-IXDOHACOSA-N 2 0 363.506 -0.565 20 0 FBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCN([C@@H]4CC[NH2+]C4)CC3)CC[C@@H]21 ZINC000515053555 485287803 /nfs/dbraw/zinc/28/78/03/485287803.db2.gz PHNAQFDQQMDLQY-ZACQAIPSSA-N 2 0 363.506 -0.565 20 0 FBADRP CC(C)NC(=O)CN(C)CC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000515059606 485287818 /nfs/dbraw/zinc/28/78/18/485287818.db2.gz ZJVOUGALKYDHFR-HNNXBMFYSA-N 2 0 367.494 -0.887 20 0 FBADRP CC(C)NC(=O)CN(C)CC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000515059607 485287501 /nfs/dbraw/zinc/28/75/01/485287501.db2.gz ZJVOUGALKYDHFR-OAHLLOKOSA-N 2 0 367.494 -0.887 20 0 FBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000515078167 485288140 /nfs/dbraw/zinc/28/81/40/485288140.db2.gz XUQRLBASGPYTHB-DLBZAZTESA-N 2 0 367.538 -0.023 20 0 FBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000515078168 485288057 /nfs/dbraw/zinc/28/80/57/485288057.db2.gz XUQRLBASGPYTHB-IAGOWNOFSA-N 2 0 367.538 -0.023 20 0 FBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000515078169 485287705 /nfs/dbraw/zinc/28/77/05/485287705.db2.gz XUQRLBASGPYTHB-IRXDYDNUSA-N 2 0 367.538 -0.023 20 0 FBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000515078170 485288105 /nfs/dbraw/zinc/28/81/05/485288105.db2.gz XUQRLBASGPYTHB-SJORKVTESA-N 2 0 367.538 -0.023 20 0 FBADRP CCC[NH+]1CCC(N(C)C(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)CC1 ZINC000515168965 485289960 /nfs/dbraw/zinc/28/99/60/485289960.db2.gz MEQOONCNIJPPRP-INIZCTEOSA-N 2 0 353.511 -0.319 20 0 FBADRP CCC[NH+]1CCC(N(C)C(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC000515168966 485290207 /nfs/dbraw/zinc/29/02/07/485290207.db2.gz MEQOONCNIJPPRP-MRXNPFEDSA-N 2 0 353.511 -0.319 20 0 FBADRP COC(=O)CN(C)C(=O)CC[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000515241520 485292656 /nfs/dbraw/zinc/29/26/56/485292656.db2.gz KURZRVSCTHXOQJ-UHFFFAOYSA-N 2 0 356.467 -0.602 20 0 FBADRP C[NH+](C)CCOc1cccc(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)c1 ZINC000515273754 485292500 /nfs/dbraw/zinc/29/25/00/485292500.db2.gz BLFUCGBCXFHKMK-AWEZNQCLSA-N 2 0 352.435 -0.396 20 0 FBADRP C[NH+](C)CCOc1cccc(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)c1 ZINC000515273755 485292485 /nfs/dbraw/zinc/29/24/85/485292485.db2.gz BLFUCGBCXFHKMK-CQSZACIVSA-N 2 0 352.435 -0.396 20 0 FBADRP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000515352145 485296284 /nfs/dbraw/zinc/29/62/84/485296284.db2.gz FDXRCWFXRJZCCL-ILXRZTDVSA-N 2 0 352.479 -0.214 20 0 FBADRP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000515352146 485295604 /nfs/dbraw/zinc/29/56/04/485295604.db2.gz FDXRCWFXRJZCCL-KFWWJZLASA-N 2 0 352.479 -0.214 20 0 FBADRP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000515352147 485295515 /nfs/dbraw/zinc/29/55/15/485295515.db2.gz FDXRCWFXRJZCCL-QLFBSQMISA-N 2 0 352.479 -0.214 20 0 FBADRP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000515352148 485295955 /nfs/dbraw/zinc/29/59/55/485295955.db2.gz FDXRCWFXRJZCCL-RBSFLKMASA-N 2 0 352.479 -0.214 20 0 FBADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000515383721 485295770 /nfs/dbraw/zinc/29/57/70/485295770.db2.gz UQHXMOLUYWIJJD-CVEARBPZSA-N 3 0 351.495 -0.673 20 0 FBADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000515383722 485295731 /nfs/dbraw/zinc/29/57/31/485295731.db2.gz UQHXMOLUYWIJJD-HOTGVXAUSA-N 3 0 351.495 -0.673 20 0 FBADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000515383723 485295975 /nfs/dbraw/zinc/29/59/75/485295975.db2.gz UQHXMOLUYWIJJD-HZPDHXFCSA-N 3 0 351.495 -0.673 20 0 FBADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000515383724 485296049 /nfs/dbraw/zinc/29/60/49/485296049.db2.gz UQHXMOLUYWIJJD-JKSUJKDBSA-N 3 0 351.495 -0.673 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC(C)(C)N1CCOCC1 ZINC000515437641 485298060 /nfs/dbraw/zinc/29/80/60/485298060.db2.gz KQYMSRWEUPWGNZ-UHFFFAOYSA-N 2 0 371.526 -0.835 20 0 FBADRP CN1CCN(C(=O)C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)[C@@H](C[NH3+])C1 ZINC000515810738 485307015 /nfs/dbraw/zinc/30/70/15/485307015.db2.gz AEATXPMGNZHOBA-HNNXBMFYSA-N 2 0 365.453 -0.395 20 0 FBADRP CN1CCN(C(=O)C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)[C@H](C[NH3+])C1 ZINC000515810739 485307102 /nfs/dbraw/zinc/30/71/02/485307102.db2.gz AEATXPMGNZHOBA-OAHLLOKOSA-N 2 0 365.453 -0.395 20 0 FBADRP C[C@@H]1CN(C[C@H](O)C[N@H+](C)C2CC2)CCN1C[C@H](O)C[NH+](C)C1CC1 ZINC000515922308 485309492 /nfs/dbraw/zinc/30/94/92/485309492.db2.gz RLWMNLTZYWLNNY-ATZDWAIDSA-N 2 0 354.539 -0.097 20 0 FBADRP C[C@@H]1CN(C[C@@H](O)C[N@H+](C)C2CC2)CCN1C[C@H](O)C[NH+](C)C1CC1 ZINC000515922309 485309106 /nfs/dbraw/zinc/30/91/06/485309106.db2.gz RLWMNLTZYWLNNY-AYOQOUSVSA-N 2 0 354.539 -0.097 20 0 FBADRP C[C@@H]1CN(C[C@H](O)C[N@H+](C)C2CC2)CCN1C[C@@H](O)C[NH+](C)C1CC1 ZINC000515922310 485309245 /nfs/dbraw/zinc/30/92/45/485309245.db2.gz RLWMNLTZYWLNNY-LZQZEXGQSA-N 2 0 354.539 -0.097 20 0 FBADRP C[C@@H]1CN(C[C@@H](O)C[N@H+](C)C2CC2)CCN1C[C@@H](O)C[NH+](C)C1CC1 ZINC000515922311 485309256 /nfs/dbraw/zinc/30/92/56/485309256.db2.gz RLWMNLTZYWLNNY-MNEFBYGVSA-N 2 0 354.539 -0.097 20 0 FBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000516030207 485310485 /nfs/dbraw/zinc/31/04/85/485310485.db2.gz ZKPDRNCUXYPDBK-INIZCTEOSA-N 2 0 352.479 -0.042 20 0 FBADRP O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000516030208 485310388 /nfs/dbraw/zinc/31/03/88/485310388.db2.gz ZKPDRNCUXYPDBK-MRXNPFEDSA-N 2 0 352.479 -0.042 20 0 FBADRP CN(C)CC[NH+]1CCC(CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000516059852 485311136 /nfs/dbraw/zinc/31/11/36/485311136.db2.gz QALXGXVYKLMRCA-INIZCTEOSA-N 2 0 353.511 -0.366 20 0 FBADRP CN(C)CC[NH+]1CCC(CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000516059853 485311335 /nfs/dbraw/zinc/31/13/35/485311335.db2.gz QALXGXVYKLMRCA-MRXNPFEDSA-N 2 0 353.511 -0.366 20 0 FBADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000516180324 485313421 /nfs/dbraw/zinc/31/34/21/485313421.db2.gz ODVLBPJGTZCCIK-PSEXLTFBSA-N 2 0 362.396 -0.247 20 0 FBADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000516180325 485312818 /nfs/dbraw/zinc/31/28/18/485312818.db2.gz ODVLBPJGTZCCIK-WVMKXHBISA-N 2 0 362.396 -0.247 20 0 FBADRP Cn1cnn(CC(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)c1=O ZINC000516288534 485315891 /nfs/dbraw/zinc/31/58/91/485315891.db2.gz JWVYEOPUGCHMNF-UHFFFAOYSA-N 2 0 358.446 -0.309 20 0 FBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000516433369 485317966 /nfs/dbraw/zinc/31/79/66/485317966.db2.gz PWZGMIUJTWRIQM-DLBZAZTESA-N 2 0 352.527 -0.299 20 0 FBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000516433370 485318286 /nfs/dbraw/zinc/31/82/86/485318286.db2.gz PWZGMIUJTWRIQM-IAGOWNOFSA-N 2 0 352.527 -0.299 20 0 FBADRP CN1CC[NH2+]C[C@H]1CNC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000516433371 485318302 /nfs/dbraw/zinc/31/83/02/485318302.db2.gz PWZGMIUJTWRIQM-IRXDYDNUSA-N 2 0 352.527 -0.299 20 0 FBADRP CN1CC[NH2+]C[C@H]1CNC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000516433372 485317728 /nfs/dbraw/zinc/31/77/28/485317728.db2.gz PWZGMIUJTWRIQM-SJORKVTESA-N 2 0 352.527 -0.299 20 0 FBADRP COC[C@]1(C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CC[NH2+]C1 ZINC000516462910 485318673 /nfs/dbraw/zinc/31/86/73/485318673.db2.gz AFAWAORJSMBFJW-INIZCTEOSA-N 2 0 352.439 -0.875 20 0 FBADRP COC[C@@]1(C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CC[NH2+]C1 ZINC000516462912 485319233 /nfs/dbraw/zinc/31/92/33/485319233.db2.gz AFAWAORJSMBFJW-MRXNPFEDSA-N 2 0 352.439 -0.875 20 0 FBADRP CC[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000516504224 485319899 /nfs/dbraw/zinc/31/98/99/485319899.db2.gz JAGKQDWKPLWFTE-CVEARBPZSA-N 2 0 352.479 -0.280 20 0 FBADRP CC[C@H]1C[N@H+](C)CCN1C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000516504225 485319596 /nfs/dbraw/zinc/31/95/96/485319596.db2.gz JAGKQDWKPLWFTE-HOTGVXAUSA-N 2 0 352.479 -0.280 20 0 FBADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000516504226 485320117 /nfs/dbraw/zinc/32/01/17/485320117.db2.gz JAGKQDWKPLWFTE-HZPDHXFCSA-N 2 0 352.479 -0.280 20 0 FBADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000516504227 485320151 /nfs/dbraw/zinc/32/01/51/485320151.db2.gz JAGKQDWKPLWFTE-JKSUJKDBSA-N 2 0 352.479 -0.280 20 0 FBADRP Cc1nnc([C@@H](C)NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)s1 ZINC000516511656 485319953 /nfs/dbraw/zinc/31/99/53/485319953.db2.gz XBDIUKCEZPJHMF-LLVKDONJSA-N 2 0 356.496 -0.024 20 0 FBADRP Cc1nnc([C@H](C)NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)s1 ZINC000516511657 485319992 /nfs/dbraw/zinc/31/99/92/485319992.db2.gz XBDIUKCEZPJHMF-NSHDSACASA-N 2 0 356.496 -0.024 20 0 FBADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000516556887 485320860 /nfs/dbraw/zinc/32/08/60/485320860.db2.gz WFBFZZHQSAPZRK-KRWDZBQOSA-N 2 0 367.538 -0.071 20 0 FBADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000516556888 485320952 /nfs/dbraw/zinc/32/09/52/485320952.db2.gz WFBFZZHQSAPZRK-QGZVFWFLSA-N 2 0 367.538 -0.071 20 0 FBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCS(=O)(=O)NCc2ccccc2)CC1 ZINC000516562995 485240924 /nfs/dbraw/zinc/24/09/24/485240924.db2.gz MUIGINGLHLDVOU-KRWDZBQOSA-N 2 0 370.519 -0.696 20 0 FBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCS(=O)(=O)NCc2ccccc2)CC1 ZINC000516562996 485241139 /nfs/dbraw/zinc/24/11/39/485241139.db2.gz MUIGINGLHLDVOU-QGZVFWFLSA-N 2 0 370.519 -0.696 20 0 FBADRP CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])c1 ZINC000516635424 484229288 /nfs/dbraw/zinc/22/92/88/484229288.db2.gz YJEKISXILCYLBB-KRWDZBQOSA-N 2 0 361.490 -0.144 20 0 FBADRP CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])c1 ZINC000516635425 484229124 /nfs/dbraw/zinc/22/91/24/484229124.db2.gz YJEKISXILCYLBB-QGZVFWFLSA-N 2 0 361.490 -0.144 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccc2c[nH+]cn2c1 ZINC000516642122 484237103 /nfs/dbraw/zinc/23/71/03/484237103.db2.gz RCVYCKAAGQMJGC-UHFFFAOYSA-N 3 0 360.462 -0.098 20 0 FBADRP CN1CCN(C(=O)CN2CCC[C@H](CNS(=O)(=O)C3CC3)C2)CC1 ZINC000516679456 484924523 /nfs/dbraw/zinc/92/45/23/484924523.db2.gz OQLOFLMFFVHDLA-CQSZACIVSA-N 2 0 358.508 -0.446 20 0 FBADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000516856854 484242000 /nfs/dbraw/zinc/24/20/00/484242000.db2.gz DHFJKUOTGOCRGD-BZUAXINKSA-N 2 0 367.538 -0.040 20 0 FBADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000516856856 484242514 /nfs/dbraw/zinc/24/25/14/484242514.db2.gz DHFJKUOTGOCRGD-OAGGEKHMSA-N 2 0 367.538 -0.040 20 0 FBADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000516856857 484242767 /nfs/dbraw/zinc/24/27/67/484242767.db2.gz DHFJKUOTGOCRGD-OWCLPIDISA-N 2 0 367.538 -0.040 20 0 FBADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000516856858 484241651 /nfs/dbraw/zinc/24/16/51/484241651.db2.gz DHFJKUOTGOCRGD-XHSDSOJGSA-N 2 0 367.538 -0.040 20 0 FBADRP C[C@H](NC(=O)C(=O)N[C@H]1CC[NH2+]C1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000516879310 484244365 /nfs/dbraw/zinc/24/43/65/484244365.db2.gz XAXVLGUKUMOFJL-BHYGNILZSA-N 2 0 360.458 -0.130 20 0 FBADRP C[C@@H](NC(=O)C(=O)N[C@H]1CC[NH2+]C1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000516879311 484243521 /nfs/dbraw/zinc/24/35/21/484243521.db2.gz XAXVLGUKUMOFJL-HYVNUMGLSA-N 2 0 360.458 -0.130 20 0 FBADRP C[C@@H](NC(=O)C(=O)N[C@H]1CC[NH2+]C1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000516879312 484243598 /nfs/dbraw/zinc/24/35/98/484243598.db2.gz XAXVLGUKUMOFJL-PVAVHDDUSA-N 2 0 360.458 -0.130 20 0 FBADRP C[C@H](NC(=O)C(=O)N[C@H]1CC[NH2+]C1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000516879313 484244026 /nfs/dbraw/zinc/24/40/26/484244026.db2.gz XAXVLGUKUMOFJL-XIRDDKMYSA-N 2 0 360.458 -0.130 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000516912949 484245076 /nfs/dbraw/zinc/24/50/76/484245076.db2.gz XANRGLHTCAIZSL-GOSISDBHSA-N 3 0 353.511 -0.508 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000516912950 484245354 /nfs/dbraw/zinc/24/53/54/484245354.db2.gz XANRGLHTCAIZSL-SFHVURJKSA-N 3 0 353.511 -0.508 20 0 FBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000516924217 483733077 /nfs/dbraw/zinc/73/30/77/483733077.db2.gz IJNSNALLZJOIJT-HNNXBMFYSA-N 2 0 365.478 -0.989 20 0 FBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000516924218 483733059 /nfs/dbraw/zinc/73/30/59/483733059.db2.gz IJNSNALLZJOIJT-OAHLLOKOSA-N 2 0 365.478 -0.989 20 0 FBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000516956109 484248362 /nfs/dbraw/zinc/24/83/62/484248362.db2.gz WLONDUGPBNAYHP-UHFFFAOYSA-N 2 0 354.495 -0.033 20 0 FBADRP CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)[C@@H](C[NH3+])C1 ZINC000516960185 484248227 /nfs/dbraw/zinc/24/82/27/484248227.db2.gz XKGNFQQAHVWDHJ-BBWFWOEESA-N 2 0 359.474 -0.351 20 0 FBADRP CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)[C@H](C[NH3+])C1 ZINC000516960186 484247268 /nfs/dbraw/zinc/24/72/68/484247268.db2.gz XKGNFQQAHVWDHJ-BRWVUGGUSA-N 2 0 359.474 -0.351 20 0 FBADRP CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)[C@@H](C[NH3+])C1 ZINC000516960187 484247023 /nfs/dbraw/zinc/24/70/23/484247023.db2.gz XKGNFQQAHVWDHJ-GVDBMIGSSA-N 2 0 359.474 -0.351 20 0 FBADRP CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)[C@H](C[NH3+])C1 ZINC000516960188 484247854 /nfs/dbraw/zinc/24/78/54/484247854.db2.gz XKGNFQQAHVWDHJ-ZACQAIPSSA-N 2 0 359.474 -0.351 20 0 FBADRP CC1CC[NH+](CCCCNC(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000516960849 484247718 /nfs/dbraw/zinc/24/77/18/484247718.db2.gz NJURLWXLKREABV-UHFFFAOYSA-N 2 0 367.494 -0.837 20 0 FBADRP CC1(C)CN(C(=O)C[C@@]2(C(=O)N3CC[NH2+]C(C)(C)C3)CC[NH2+]C2)CC[NH2+]1 ZINC000516971040 484249240 /nfs/dbraw/zinc/24/92/40/484249240.db2.gz SSMMYWBZJDEKIL-IBGZPJMESA-N 3 0 365.522 -0.223 20 0 FBADRP CC1(C)CN(C(=O)C[C@]2(C(=O)N3CC[NH2+]C(C)(C)C3)CC[NH2+]C2)CC[NH2+]1 ZINC000516971103 484248986 /nfs/dbraw/zinc/24/89/86/484248986.db2.gz SSMMYWBZJDEKIL-LJQANCHMSA-N 3 0 365.522 -0.223 20 0 FBADRP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCC[C@H]4C[N@H+](C)CC[C@@H]43)C[C@H]2[NH3+])cn1 ZINC000517024849 484250814 /nfs/dbraw/zinc/25/08/14/484250814.db2.gz ICAVIGBWOBYHIX-LLLHUVSDSA-N 2 0 374.489 -0.384 20 0 FBADRP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCC[C@H]4C[N@H+](C)CC[C@H]43)C[C@H]2[NH3+])cn1 ZINC000517024850 484250407 /nfs/dbraw/zinc/25/04/07/484250407.db2.gz ICAVIGBWOBYHIX-QMCVQRASSA-N 2 0 374.489 -0.384 20 0 FBADRP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCC[C@@H]4C[N@H+](C)CC[C@@H]43)C[C@H]2[NH3+])cn1 ZINC000517024851 484250922 /nfs/dbraw/zinc/25/09/22/484250922.db2.gz ICAVIGBWOBYHIX-XBVQOTNRSA-N 2 0 374.489 -0.384 20 0 FBADRP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCC[C@@H]4C[N@H+](C)CC[C@H]43)C[C@H]2[NH3+])cn1 ZINC000517024852 484250279 /nfs/dbraw/zinc/25/02/79/484250279.db2.gz ICAVIGBWOBYHIX-XLNGHYISSA-N 2 0 374.489 -0.384 20 0 FBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000517078708 484254117 /nfs/dbraw/zinc/25/41/17/484254117.db2.gz BTFGHPPGHPKWCO-INIZCTEOSA-N 2 0 369.510 -0.015 20 0 FBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000517078712 484254049 /nfs/dbraw/zinc/25/40/49/484254049.db2.gz BTFGHPPGHPKWCO-MRXNPFEDSA-N 2 0 369.510 -0.015 20 0 FBADRP CC[NH+]1CCC(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000517190601 484259144 /nfs/dbraw/zinc/25/91/44/484259144.db2.gz RIFMXCSKRVSFHH-UHFFFAOYSA-N 3 0 355.527 -0.214 20 0 FBADRP CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000517342552 483575892 /nfs/dbraw/zinc/57/58/92/483575892.db2.gz HEVFKYRCCWSYLZ-UHFFFAOYSA-N 2 0 367.494 -0.885 20 0 FBADRP C[NH+](C)CCN1C(=O)C[C@H]([N@@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)C1=O ZINC000517371403 484264260 /nfs/dbraw/zinc/26/42/60/484264260.db2.gz UVZGCTOUNYRILT-CABCVRRESA-N 2 0 350.463 -0.086 20 0 FBADRP C[NH+](C)CCN1C(=O)C[C@H]([N@@H+]2CCC[C@H](C(=O)NCC3CC3)C2)C1=O ZINC000517371404 484264109 /nfs/dbraw/zinc/26/41/09/484264109.db2.gz UVZGCTOUNYRILT-GJZGRUSLSA-N 2 0 350.463 -0.086 20 0 FBADRP C[NH+](C)CCN1C(=O)C[C@@H]([N@@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)C1=O ZINC000517371405 484263576 /nfs/dbraw/zinc/26/35/76/484263576.db2.gz UVZGCTOUNYRILT-HUUCEWRRSA-N 2 0 350.463 -0.086 20 0 FBADRP C[NH+](C)CCN1C(=O)C[C@@H]([N@@H+]2CCC[C@H](C(=O)NCC3CC3)C2)C1=O ZINC000517371408 484264202 /nfs/dbraw/zinc/26/42/02/484264202.db2.gz UVZGCTOUNYRILT-LSDHHAIUSA-N 2 0 350.463 -0.086 20 0 FBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000517405480 484266137 /nfs/dbraw/zinc/26/61/37/484266137.db2.gz NKJHCVOCDPRZLA-CABCVRRESA-N 2 0 354.499 -0.739 20 0 FBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000517405481 484264905 /nfs/dbraw/zinc/26/49/05/484264905.db2.gz NKJHCVOCDPRZLA-GJZGRUSLSA-N 2 0 354.499 -0.739 20 0 FBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000517405482 484265701 /nfs/dbraw/zinc/26/57/01/484265701.db2.gz NKJHCVOCDPRZLA-HUUCEWRRSA-N 2 0 354.499 -0.739 20 0 FBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000517405483 484266160 /nfs/dbraw/zinc/26/61/60/484266160.db2.gz NKJHCVOCDPRZLA-LSDHHAIUSA-N 2 0 354.499 -0.739 20 0 FBADRP CN1CCN(C(=O)C(=O)NC[C@H](c2cccs2)[NH+](C)C)[C@H](C[NH3+])C1 ZINC000517541587 484270579 /nfs/dbraw/zinc/27/05/79/484270579.db2.gz QFHXMMGCQOAHSK-CHWSQXEVSA-N 2 0 353.492 -0.432 20 0 FBADRP CN1CCN(C(=O)C(=O)NC[C@@H](c2cccs2)[NH+](C)C)[C@H](C[NH3+])C1 ZINC000517541588 484270279 /nfs/dbraw/zinc/27/02/79/484270279.db2.gz QFHXMMGCQOAHSK-OLZOCXBDSA-N 2 0 353.492 -0.432 20 0 FBADRP CN1CCN(C(=O)C(=O)NC[C@H](c2cccs2)[NH+](C)C)[C@@H](C[NH3+])C1 ZINC000517541589 484270563 /nfs/dbraw/zinc/27/05/63/484270563.db2.gz QFHXMMGCQOAHSK-QWHCGFSZSA-N 2 0 353.492 -0.432 20 0 FBADRP CN1CCN(C(=O)C(=O)NC[C@@H](c2cccs2)[NH+](C)C)[C@@H](C[NH3+])C1 ZINC000517541590 484270105 /nfs/dbraw/zinc/27/01/05/484270105.db2.gz QFHXMMGCQOAHSK-STQMWFEESA-N 2 0 353.492 -0.432 20 0 FBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCn2cc(Br)ccc2=O)CC1 ZINC000517556026 484269552 /nfs/dbraw/zinc/26/95/52/484269552.db2.gz CNCZTZYIJMUTLS-AWEZNQCLSA-N 2 0 373.295 -0.191 20 0 FBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCn2cc(Br)ccc2=O)CC1 ZINC000517556028 484269506 /nfs/dbraw/zinc/26/95/06/484269506.db2.gz CNCZTZYIJMUTLS-CQSZACIVSA-N 2 0 373.295 -0.191 20 0 FBADRP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)C[NH2+]C[C@H]2CCCO2)c1 ZINC000517742620 483409859 /nfs/dbraw/zinc/40/98/59/483409859.db2.gz SJESGZMGRGWLHF-CYBMUJFWSA-N 2 0 356.448 -0.369 20 0 FBADRP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)C[NH2+]C[C@@H]2CCCO2)c1 ZINC000517742621 483409832 /nfs/dbraw/zinc/40/98/32/483409832.db2.gz SJESGZMGRGWLHF-ZDUSSCGKSA-N 2 0 356.448 -0.369 20 0 FBADRP COC(=O)C1CC[NH+](CCCNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000517744980 483409812 /nfs/dbraw/zinc/40/98/12/483409812.db2.gz QIZOFZDLHIVHMP-HNNXBMFYSA-N 2 0 356.467 -0.523 20 0 FBADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NC1C[NH2+]C1 ZINC000517902428 483755106 /nfs/dbraw/zinc/75/51/06/483755106.db2.gz IGEQBXYOIMRCCR-NVXWUHKLSA-N 2 0 360.458 -0.272 20 0 FBADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000517903133 483755175 /nfs/dbraw/zinc/75/51/75/483755175.db2.gz ORMQOMOXYMXDJK-BBWFWOEESA-N 2 0 367.538 -0.038 20 0 FBADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000517903134 483755238 /nfs/dbraw/zinc/75/52/38/483755238.db2.gz ORMQOMOXYMXDJK-BRWVUGGUSA-N 2 0 367.538 -0.038 20 0 FBADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000517903136 483755229 /nfs/dbraw/zinc/75/52/29/483755229.db2.gz ORMQOMOXYMXDJK-IXDOHACOSA-N 2 0 367.538 -0.038 20 0 FBADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000517903138 483755018 /nfs/dbraw/zinc/75/50/18/483755018.db2.gz ORMQOMOXYMXDJK-ZACQAIPSSA-N 2 0 367.538 -0.038 20 0 FBADRP COc1ccc(C(=O)NCC[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000517921963 483755527 /nfs/dbraw/zinc/75/55/27/483755527.db2.gz AQRJEAIPMACKSM-INIZCTEOSA-N 2 0 350.463 -0.377 20 0 FBADRP COc1ccc(C(=O)NCC[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000517921965 483755537 /nfs/dbraw/zinc/75/55/37/483755537.db2.gz AQRJEAIPMACKSM-MRXNPFEDSA-N 2 0 350.463 -0.377 20 0 FBADRP CC[C@H](C)N1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000518483692 483782274 /nfs/dbraw/zinc/78/22/74/483782274.db2.gz IENLYRWYETUFFV-INIZCTEOSA-N 2 0 355.527 -0.119 20 0 FBADRP CC[C@@H](C)N1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000518483693 483782329 /nfs/dbraw/zinc/78/23/29/483782329.db2.gz IENLYRWYETUFFV-MRXNPFEDSA-N 2 0 355.527 -0.119 20 0 FBADRP O=C(C[C@]1(C(=O)NCC[C@H]2CC[NH2+]C2)CC[NH2+]C1)NCC[C@@H]1CC[NH2+]C1 ZINC000518534621 483785589 /nfs/dbraw/zinc/78/55/89/483785589.db2.gz JYIOBYJTYFTBQJ-FRQCXROJSA-N 3 0 365.522 -0.412 20 0 FBADRP O=C(C[C@]1(C(=O)NCC[C@H]2CC[NH2+]C2)CC[NH2+]C1)NCC[C@H]1CC[NH2+]C1 ZINC000518534623 483785199 /nfs/dbraw/zinc/78/51/99/483785199.db2.gz JYIOBYJTYFTBQJ-GPMSIDNRSA-N 3 0 365.522 -0.412 20 0 FBADRP O=C(C[C@]1(C(=O)NCC[C@@H]2CC[NH2+]C2)CC[NH2+]C1)NCC[C@H]1CC[NH2+]C1 ZINC000518534624 483785252 /nfs/dbraw/zinc/78/52/52/483785252.db2.gz JYIOBYJTYFTBQJ-JTDSTZFVSA-N 3 0 365.522 -0.412 20 0 FBADRP O=C(C[C@]1(C(=O)NCC[C@@H]2CC[NH2+]C2)CC[NH2+]C1)NCC[C@@H]1CC[NH2+]C1 ZINC000518534628 483785493 /nfs/dbraw/zinc/78/54/93/483785493.db2.gz JYIOBYJTYFTBQJ-TXPKVOOTSA-N 3 0 365.522 -0.412 20 0 FBADRP [NH3+][C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)NCCN1CC[NH2+]CC1 ZINC000518540722 483785838 /nfs/dbraw/zinc/78/58/38/483785838.db2.gz WJUQKCLDGAQFRN-SFHVURJKSA-N 2 0 356.474 -0.177 20 0 FBADRP NS(=O)(=O)c1ccc(N2CC[NH+](CCN3CC[NH2+]CC3)CC2)cc1 ZINC000518541878 483785921 /nfs/dbraw/zinc/78/59/21/483785921.db2.gz CGRWIRUKCMGTRB-UHFFFAOYSA-N 2 0 353.492 -0.639 20 0 FBADRP CN1CCO[C@@H]2CCN(C(=O)C(=O)N3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)C[C@@H]21 ZINC000518717519 483800922 /nfs/dbraw/zinc/80/09/22/483800922.db2.gz LFTDAWSJJUSFOI-LTIDMASMSA-N 2 0 364.490 -0.139 20 0 FBADRP CN1CCO[C@@H]2CCN(C(=O)C(=O)N3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)C[C@@H]21 ZINC000518717520 483801003 /nfs/dbraw/zinc/80/10/03/483801003.db2.gz LFTDAWSJJUSFOI-LUKYLMHMSA-N 2 0 364.490 -0.139 20 0 FBADRP CN1CCO[C@@H]2CCN(C(=O)C(=O)N3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)C[C@@H]21 ZINC000518717521 483800656 /nfs/dbraw/zinc/80/06/56/483800656.db2.gz LFTDAWSJJUSFOI-VVLHAWIVSA-N 2 0 364.490 -0.139 20 0 FBADRP CN1CCO[C@@H]2CCN(C(=O)C(=O)N3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)C[C@@H]21 ZINC000518717522 483800875 /nfs/dbraw/zinc/80/08/75/483800875.db2.gz LFTDAWSJJUSFOI-WCXIOVBPSA-N 2 0 364.490 -0.139 20 0 FBADRP C[NH+]1CCC(C[NH2+]C[C@H](O)CN2CCOCC2)(N2CCOCC2)CC1 ZINC000518759384 484284162 /nfs/dbraw/zinc/28/41/62/484284162.db2.gz RQBFCHPCYGSLCZ-KRWDZBQOSA-N 2 0 356.511 -0.934 20 0 FBADRP C[NH+]1CCC(C[NH2+]C[C@@H](O)CN2CCOCC2)(N2CCOCC2)CC1 ZINC000518759385 484283932 /nfs/dbraw/zinc/28/39/32/484283932.db2.gz RQBFCHPCYGSLCZ-QGZVFWFLSA-N 2 0 356.511 -0.934 20 0 FBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000518772228 484426394 /nfs/dbraw/zinc/42/63/94/484426394.db2.gz CFFWRRRRPNEDDO-JQWIXIFHSA-N 2 0 353.389 -0.962 20 0 FBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000518772229 484427037 /nfs/dbraw/zinc/42/70/37/484427037.db2.gz CFFWRRRRPNEDDO-PWSUYJOCSA-N 2 0 353.389 -0.962 20 0 FBADRP CC[C@H](C(=O)NC[C@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)CCN1C)[NH+](C)C ZINC000518783114 483495404 /nfs/dbraw/zinc/49/54/04/483495404.db2.gz ZUXIXZDWVBDWIA-ARFHVFGLSA-N 2 0 355.527 -0.074 20 0 FBADRP CC[C@H](C(=O)NC[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)CCN1C)[NH+](C)C ZINC000518783115 483494832 /nfs/dbraw/zinc/49/48/32/483494832.db2.gz ZUXIXZDWVBDWIA-BZUAXINKSA-N 2 0 355.527 -0.074 20 0 FBADRP CC[C@H](C(=O)NC[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)CCN1C)[NH+](C)C ZINC000518783116 483495093 /nfs/dbraw/zinc/49/50/93/483495093.db2.gz ZUXIXZDWVBDWIA-OAGGEKHMSA-N 2 0 355.527 -0.074 20 0 FBADRP CC[C@H](C(=O)NC[C@H]1CN(C(=O)[C@H](CC)[NH+](C)C)CCN1C)[NH+](C)C ZINC000518783117 483495162 /nfs/dbraw/zinc/49/51/62/483495162.db2.gz ZUXIXZDWVBDWIA-XHSDSOJGSA-N 2 0 355.527 -0.074 20 0 FBADRP COc1ccc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1C(N)=O ZINC000519109235 484145677 /nfs/dbraw/zinc/14/56/77/484145677.db2.gz DHMFCERKCRNHRU-UHFFFAOYSA-N 2 0 372.491 -0.092 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)C1 ZINC000519367181 484162118 /nfs/dbraw/zinc/16/21/18/484162118.db2.gz RDZMVGKOGQWZIR-CVEARBPZSA-N 2 0 369.510 -0.018 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)C1 ZINC000519367182 484162159 /nfs/dbraw/zinc/16/21/59/484162159.db2.gz RDZMVGKOGQWZIR-HOTGVXAUSA-N 2 0 369.510 -0.018 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCCC[NH+]2CCC[C@@H]2C(N)=O)C1 ZINC000519367183 484162184 /nfs/dbraw/zinc/16/21/84/484162184.db2.gz RDZMVGKOGQWZIR-HZPDHXFCSA-N 2 0 369.510 -0.018 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCCC[NH+]2CCC[C@@H]2C(N)=O)C1 ZINC000519367184 484162704 /nfs/dbraw/zinc/16/27/04/484162704.db2.gz RDZMVGKOGQWZIR-JKSUJKDBSA-N 2 0 369.510 -0.018 20 0 FBADRP CC[NH+]1CC[C@@H](CNC(=O)COCC(=O)NC[C@@H]2CC[N@@H+](CC)C2)C1 ZINC000519408336 484163787 /nfs/dbraw/zinc/16/37/87/484163787.db2.gz NXKVROXSROKMIY-HOTGVXAUSA-N 2 0 354.495 -0.081 20 0 FBADRP CC[NH+]1CC[C@H](CNC(=O)COCC(=O)NC[C@H]2CC[N@@H+](CC)C2)C1 ZINC000519408337 484164436 /nfs/dbraw/zinc/16/44/36/484164436.db2.gz NXKVROXSROKMIY-HZPDHXFCSA-N 2 0 354.495 -0.081 20 0 FBADRP CC[NH+]1CC[C@@H](CNC(=O)COCC(=O)NC[C@H]2CC[N@@H+](CC)C2)C1 ZINC000519408338 484164509 /nfs/dbraw/zinc/16/45/09/484164509.db2.gz NXKVROXSROKMIY-IYBDPMFKSA-N 2 0 354.495 -0.081 20 0 FBADRP C[NH+](C)Cc1ccc(CNC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1 ZINC000519426701 484166669 /nfs/dbraw/zinc/16/66/69/484166669.db2.gz MXPNFXRPNLKPHF-CVEARBPZSA-N 2 0 373.457 -0.865 20 0 FBADRP C[NH+](C)Cc1ccc(CNC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1 ZINC000519426702 484166394 /nfs/dbraw/zinc/16/63/94/484166394.db2.gz MXPNFXRPNLKPHF-HOTGVXAUSA-N 2 0 373.457 -0.865 20 0 FBADRP C[NH+](C)Cc1ccc(CNC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1 ZINC000519426703 484166775 /nfs/dbraw/zinc/16/67/75/484166775.db2.gz MXPNFXRPNLKPHF-HZPDHXFCSA-N 2 0 373.457 -0.865 20 0 FBADRP C[NH+](C)Cc1ccc(CNC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1 ZINC000519426704 484166498 /nfs/dbraw/zinc/16/64/98/484166498.db2.gz MXPNFXRPNLKPHF-JKSUJKDBSA-N 2 0 373.457 -0.865 20 0 FBADRP O=C(C[C@@]1(C(=O)NCC2CC[NH2+]CC2)CC[NH2+]C1)NCC1CC[NH2+]CC1 ZINC000519544381 484174127 /nfs/dbraw/zinc/17/41/27/484174127.db2.gz IQRXRLQSBDPOJO-IBGZPJMESA-N 3 0 365.522 -0.412 20 0 FBADRP O=C(C[C@]1(C(=O)NCC2CC[NH2+]CC2)CC[NH2+]C1)NCC1CC[NH2+]CC1 ZINC000519544392 484174170 /nfs/dbraw/zinc/17/41/70/484174170.db2.gz IQRXRLQSBDPOJO-LJQANCHMSA-N 3 0 365.522 -0.412 20 0 FBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000519634108 484181009 /nfs/dbraw/zinc/18/10/09/484181009.db2.gz FOVJPDBFMQIQQZ-INIZCTEOSA-N 2 0 354.495 -0.129 20 0 FBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000519634116 484180791 /nfs/dbraw/zinc/18/07/91/484180791.db2.gz FOVJPDBFMQIQQZ-MRXNPFEDSA-N 2 0 354.495 -0.129 20 0 FBADRP C[NH+]1CCN(C[C@@H](NC(=O)C(=O)N2CCC[NH2+]CC2)c2ccccc2)CC1 ZINC000519635007 484181406 /nfs/dbraw/zinc/18/14/06/484181406.db2.gz KXYMVSHXSKOZBY-GOSISDBHSA-N 2 0 373.501 -0.087 20 0 FBADRP C[NH+]1CCN(C[C@H](NC(=O)C(=O)N2CCC[NH2+]CC2)c2ccccc2)CC1 ZINC000519635026 484180189 /nfs/dbraw/zinc/18/01/89/484180189.db2.gz KXYMVSHXSKOZBY-SFHVURJKSA-N 2 0 373.501 -0.087 20 0 FBADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000519636569 484180740 /nfs/dbraw/zinc/18/07/40/484180740.db2.gz XRWXIUNSNHWINZ-CVEARBPZSA-N 2 0 353.511 -0.428 20 0 FBADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000519636598 484180777 /nfs/dbraw/zinc/18/07/77/484180777.db2.gz XRWXIUNSNHWINZ-HOTGVXAUSA-N 2 0 353.511 -0.428 20 0 FBADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000519636600 484180666 /nfs/dbraw/zinc/18/06/66/484180666.db2.gz XRWXIUNSNHWINZ-HZPDHXFCSA-N 2 0 353.511 -0.428 20 0 FBADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000519636603 484180332 /nfs/dbraw/zinc/18/03/32/484180332.db2.gz XRWXIUNSNHWINZ-JKSUJKDBSA-N 2 0 353.511 -0.428 20 0 FBADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000519639734 484180564 /nfs/dbraw/zinc/18/05/64/484180564.db2.gz PPVBDDOTBIUHPI-DMRZNYOFSA-N 2 0 360.462 -0.632 20 0 FBADRP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000519639747 484180164 /nfs/dbraw/zinc/18/01/64/484180164.db2.gz PPVBDDOTBIUHPI-DRPJVOAASA-N 2 0 360.462 -0.632 20 0 FBADRP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000519639757 484180951 /nfs/dbraw/zinc/18/09/51/484180951.db2.gz PPVBDDOTBIUHPI-QCEMKRCNSA-N 2 0 360.462 -0.632 20 0 FBADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000519639761 484180698 /nfs/dbraw/zinc/18/06/98/484180698.db2.gz PPVBDDOTBIUHPI-SYAUCNOPSA-N 2 0 360.462 -0.632 20 0 FBADRP C[C@H]1C[C@H]([NH3+])CCN1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000519648680 658989405 /nfs/dbraw/zinc/98/94/05/658989405.db2.gz QOWGGMFECSMTFG-GXTWGEPZSA-N 2 0 354.476 -0.196 20 0 FBADRP C[C@@H]1C[C@@H]([NH3+])CCN1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000519648707 658989512 /nfs/dbraw/zinc/98/95/12/658989512.db2.gz QOWGGMFECSMTFG-OCCSQVGLSA-N 2 0 354.476 -0.196 20 0 FBADRP CC(C)[C@H](CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)[NH+]1CCN(C)CC1 ZINC000519650698 484181092 /nfs/dbraw/zinc/18/10/92/484181092.db2.gz OWHVMNQCXYDVGN-JYJNAYRXSA-N 2 0 366.510 -0.788 20 0 FBADRP CC(C)[C@H](CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)[NH+]1CCN(C)CC1 ZINC000519650736 484181033 /nfs/dbraw/zinc/18/10/33/484181033.db2.gz OWHVMNQCXYDVGN-OAGGEKHMSA-N 2 0 366.510 -0.788 20 0 FBADRP CC(C)[C@H](CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)[NH+]1CCN(C)CC1 ZINC000519650739 484181293 /nfs/dbraw/zinc/18/12/93/484181293.db2.gz OWHVMNQCXYDVGN-PMPSAXMXSA-N 2 0 366.510 -0.788 20 0 FBADRP CC(C)[C@H](CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)[NH+]1CCN(C)CC1 ZINC000519650744 484180877 /nfs/dbraw/zinc/18/08/77/484180877.db2.gz OWHVMNQCXYDVGN-XHSDSOJGSA-N 2 0 366.510 -0.788 20 0 FBADRP COC1([C@H](C)NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCOCC1 ZINC000519698791 484185777 /nfs/dbraw/zinc/18/57/77/484185777.db2.gz VEWNWPGIPXUHIZ-HNNXBMFYSA-N 2 0 372.510 -0.362 20 0 FBADRP COC1([C@@H](C)NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCOCC1 ZINC000519698801 484185368 /nfs/dbraw/zinc/18/53/68/484185368.db2.gz VEWNWPGIPXUHIZ-OAHLLOKOSA-N 2 0 372.510 -0.362 20 0 FBADRP NS(=O)(=O)C1(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000519712082 484186123 /nfs/dbraw/zinc/18/61/23/484186123.db2.gz UJXTVESEUGMRMI-UHFFFAOYSA-N 2 0 367.475 -0.469 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCOC2(CCOCC2)C1 ZINC000519750972 484187386 /nfs/dbraw/zinc/18/73/86/484187386.db2.gz OBEVVNDIEKODBB-UHFFFAOYSA-N 2 0 370.494 -0.654 20 0 FBADRP CN1CCN(C(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)[C@@H](C[NH3+])C1 ZINC000519766577 484188693 /nfs/dbraw/zinc/18/86/93/484188693.db2.gz SABFNYQCHUQBHP-INIZCTEOSA-N 2 0 351.495 -0.578 20 0 FBADRP CN1CCN(C(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)[C@H](C[NH3+])C1 ZINC000519766634 484189359 /nfs/dbraw/zinc/18/93/59/484189359.db2.gz SABFNYQCHUQBHP-MRXNPFEDSA-N 2 0 351.495 -0.578 20 0 FBADRP CCN1CCO[C@@H](C(=O)NC[C@H](C)CNC(=O)[C@@H]2CN(CC)CCO2)C1 ZINC000519792623 484970177 /nfs/dbraw/zinc/97/01/77/484970177.db2.gz QAOCMAGVQRPULK-MUJYYYPQSA-N 2 0 370.494 -0.704 20 0 FBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000519848387 484193093 /nfs/dbraw/zinc/19/30/93/484193093.db2.gz HKUJBGZRRZOZHI-MRXNPFEDSA-N 2 0 355.527 -0.071 20 0 FBADRP CC[NH+](C)CCNS(=O)(=O)c1c[nH]c(C(=O)NCC[N@@H+](C)CC)c1 ZINC000520134890 484065878 /nfs/dbraw/zinc/06/58/78/484065878.db2.gz XDZDEBLNWYCDDO-UHFFFAOYSA-N 2 0 359.496 -0.074 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC(CCC(N)=O)CC1 ZINC000520187237 484207483 /nfs/dbraw/zinc/20/74/83/484207483.db2.gz QITNAFUZYWSJMI-UHFFFAOYSA-N 2 0 369.510 -0.558 20 0 FBADRP CC(C)[NH2+]CCCNC(=O)C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000520204809 484211598 /nfs/dbraw/zinc/21/15/98/484211598.db2.gz KNGGXBGVYDOAQQ-INIZCTEOSA-N 2 0 355.527 -0.121 20 0 FBADRP CC(C)[NH2+]CCCNC(=O)C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000520204812 484211343 /nfs/dbraw/zinc/21/13/43/484211343.db2.gz KNGGXBGVYDOAQQ-MRXNPFEDSA-N 2 0 355.527 -0.121 20 0 FBADRP CN1CCN(C(=O)C(=O)NC2CC[NH+](C3CCCC3)CC2)[C@@H](C[NH3+])C1 ZINC000520205269 484211320 /nfs/dbraw/zinc/21/13/20/484211320.db2.gz OGTJEWGDJUFNTI-INIZCTEOSA-N 2 0 351.495 -0.389 20 0 FBADRP CN1CCN(C(=O)C(=O)NC2CC[NH+](C3CCCC3)CC2)[C@H](C[NH3+])C1 ZINC000520205273 484211495 /nfs/dbraw/zinc/21/14/95/484211495.db2.gz OGTJEWGDJUFNTI-MRXNPFEDSA-N 2 0 351.495 -0.389 20 0 FBADRP O=C(N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000520228256 484213190 /nfs/dbraw/zinc/21/31/90/484213190.db2.gz CFRCKMAFRNXTEU-AHIWAGSCSA-N 2 0 360.462 -0.137 20 0 FBADRP O=C(N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000520228257 484212729 /nfs/dbraw/zinc/21/27/29/484212729.db2.gz CFRCKMAFRNXTEU-XNJGSVPQSA-N 2 0 360.462 -0.137 20 0 FBADRP CN1CCN(C(=O)Cc2ccc(NC(=O)c3cn(CC[NH3+])nn3)cc2)CC1 ZINC000520255642 484219645 /nfs/dbraw/zinc/21/96/45/484219645.db2.gz WIWQJAPHDPUETH-UHFFFAOYSA-N 2 0 371.445 -0.194 20 0 FBADRP COc1cc(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccn1 ZINC000520371998 484237357 /nfs/dbraw/zinc/23/73/57/484237357.db2.gz MHTSUCRXZMDJKS-UHFFFAOYSA-N 2 0 351.451 -0.342 20 0 FBADRP O=C(C(=O)N1CC[NH+](C2CCCC2)CC1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000520394086 484238834 /nfs/dbraw/zinc/23/88/34/484238834.db2.gz FRIYMBFKXIYZPK-KRWDZBQOSA-N 2 0 363.506 -0.421 20 0 FBADRP O=C(C(=O)N1CC[NH+](C2CCCC2)CC1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000520394087 484239821 /nfs/dbraw/zinc/23/98/21/484239821.db2.gz FRIYMBFKXIYZPK-QGZVFWFLSA-N 2 0 363.506 -0.421 20 0 FBADRP C[C@@H]1CN(C[C@H](O)C[NH2+]CCCn2nc3n(c2=O)CCCC3)C[C@H](C)O1 ZINC000520396713 484973792 /nfs/dbraw/zinc/97/37/92/484973792.db2.gz GDEFXJGQYUIVCB-OWCLPIDISA-N 2 0 367.494 -0.169 20 0 FBADRP C[C@@H]1CN(C[C@@H](O)C[NH2+]CCCn2nc3n(c2=O)CCCC3)C[C@H](C)O1 ZINC000520396714 484972958 /nfs/dbraw/zinc/97/29/58/484972958.db2.gz GDEFXJGQYUIVCB-XHSDSOJGSA-N 2 0 367.494 -0.169 20 0 FBADRP COCC[NH2+]C1CCN(C(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000520418059 484243342 /nfs/dbraw/zinc/24/33/42/484243342.db2.gz UHJHSPPAQSDITO-GDBMZVCRSA-N 2 0 352.479 -0.234 20 0 FBADRP COCC[NH2+]C1CCN(C(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000520418060 484244099 /nfs/dbraw/zinc/24/40/99/484244099.db2.gz UHJHSPPAQSDITO-GOEBONIOSA-N 2 0 352.479 -0.234 20 0 FBADRP COCC[NH2+]C1CCN(C(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000520418061 484243995 /nfs/dbraw/zinc/24/39/95/484243995.db2.gz UHJHSPPAQSDITO-HOCLYGCPSA-N 2 0 352.479 -0.234 20 0 FBADRP COCC[NH2+]C1CCN(C(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000520418062 484243739 /nfs/dbraw/zinc/24/37/39/484243739.db2.gz UHJHSPPAQSDITO-ZBFHGGJFSA-N 2 0 352.479 -0.234 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000520618979 484259236 /nfs/dbraw/zinc/25/92/36/484259236.db2.gz DNNRUEZPLSDULS-DLBZAZTESA-N 2 0 367.538 -0.025 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000520618980 484259930 /nfs/dbraw/zinc/25/99/30/484259930.db2.gz DNNRUEZPLSDULS-IAGOWNOFSA-N 2 0 367.538 -0.025 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000520618981 484259165 /nfs/dbraw/zinc/25/91/65/484259165.db2.gz DNNRUEZPLSDULS-IRXDYDNUSA-N 2 0 367.538 -0.025 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000520618982 484259768 /nfs/dbraw/zinc/25/97/68/484259768.db2.gz DNNRUEZPLSDULS-SJORKVTESA-N 2 0 367.538 -0.025 20 0 FBADRP C[NH+]1CCC(CNC(=O)COCC(=O)NCC2CC[NH+](C)CC2)CC1 ZINC000520649445 484261723 /nfs/dbraw/zinc/26/17/23/484261723.db2.gz NGAUJYJGJZZYPT-UHFFFAOYSA-N 2 0 354.495 -0.081 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000520695032 484273207 /nfs/dbraw/zinc/27/32/07/484273207.db2.gz LFRFVJCGQQZTHZ-BZSNNMDCSA-N 2 0 370.538 -0.058 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)CC1 ZINC000520737018 484285501 /nfs/dbraw/zinc/28/55/01/484285501.db2.gz QHGJHRJINIQEKP-HNNXBMFYSA-N 2 0 367.494 -0.839 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)CC1 ZINC000520737019 484286439 /nfs/dbraw/zinc/28/64/39/484286439.db2.gz QHGJHRJINIQEKP-OAHLLOKOSA-N 2 0 367.494 -0.839 20 0 FBADRP CC(C)[NH2+]C1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000520752037 484288357 /nfs/dbraw/zinc/28/83/57/484288357.db2.gz QOVISPDNQFPKAA-UHFFFAOYSA-N 3 0 355.527 -0.073 20 0 FBADRP COCC[N@H+](C)CCNC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000520979808 484279223 /nfs/dbraw/zinc/27/92/23/484279223.db2.gz OIPUGILPHGYDLA-UHFFFAOYSA-N 2 0 357.499 -0.194 20 0 FBADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000521011314 484279498 /nfs/dbraw/zinc/27/94/98/484279498.db2.gz VXTQCKQSQGPDCK-HNNXBMFYSA-N 2 0 365.522 -0.271 20 0 FBADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000521011315 484280177 /nfs/dbraw/zinc/28/01/77/484280177.db2.gz VXTQCKQSQGPDCK-OAHLLOKOSA-N 2 0 365.522 -0.271 20 0 FBADRP C[C@@H](CNC(=O)C(=O)N1CCC(CC[NH3+])CC1)C[NH+]1CCN(C)CC1 ZINC000521259460 484287113 /nfs/dbraw/zinc/28/71/13/484287113.db2.gz OPEYYFCPOXDFDV-HNNXBMFYSA-N 2 0 353.511 -0.427 20 0 FBADRP C[C@H](CNC(=O)C(=O)N1CCC(CC[NH3+])CC1)C[NH+]1CCN(C)CC1 ZINC000521259463 484287381 /nfs/dbraw/zinc/28/73/81/484287381.db2.gz OPEYYFCPOXDFDV-OAHLLOKOSA-N 2 0 353.511 -0.427 20 0 FBADRP CN(CCCNC(=O)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)S(C)(=O)=O ZINC000521436414 483843670 /nfs/dbraw/zinc/84/36/70/483843670.db2.gz WKVODGFFCZEOHU-HNNXBMFYSA-N 2 0 360.524 -0.294 20 0 FBADRP CN(CCCNC(=O)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)S(C)(=O)=O ZINC000521436415 483843778 /nfs/dbraw/zinc/84/37/78/483843778.db2.gz WKVODGFFCZEOHU-OAHLLOKOSA-N 2 0 360.524 -0.294 20 0 FBADRP CN(CCC[N@H+](C)CC(=O)N1CCN(C(=O)C2CC2)CC1)CC[NH+](C)C ZINC000521502875 484293682 /nfs/dbraw/zinc/29/36/82/484293682.db2.gz HKEKSSZONCAWNH-UHFFFAOYSA-N 2 0 367.538 -0.118 20 0 FBADRP O=C(COCC(=O)N[C@H]1CC[NH+](C2CC2)C1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000521677930 484301534 /nfs/dbraw/zinc/30/15/34/484301534.db2.gz OAZFEJOKVUFNRS-OKILXGFUSA-N 2 0 350.463 -0.291 20 0 FBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N(C)CC[NH+]2CCCC2)CC1 ZINC000521918544 484309987 /nfs/dbraw/zinc/30/99/87/484309987.db2.gz DBZCDHVYHODSPI-KRWDZBQOSA-N 2 0 367.538 -0.070 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N(C)CC[NH+]2CCCC2)CC1 ZINC000521918545 484310047 /nfs/dbraw/zinc/31/00/47/484310047.db2.gz DBZCDHVYHODSPI-QGZVFWFLSA-N 2 0 367.538 -0.070 20 0 FBADRP CN1CCN(C(=O)C(=O)NCc2ccc(Cn3ccnc3)cc2)[C@@H](C[NH3+])C1 ZINC000521987341 484314037 /nfs/dbraw/zinc/31/40/37/484314037.db2.gz ZBTITBURFMNLDQ-KRWDZBQOSA-N 2 0 370.457 -0.351 20 0 FBADRP CN1CCN(C(=O)C(=O)NCc2ccc(Cn3ccnc3)cc2)[C@H](C[NH3+])C1 ZINC000521987343 484313286 /nfs/dbraw/zinc/31/32/86/484313286.db2.gz ZBTITBURFMNLDQ-QGZVFWFLSA-N 2 0 370.457 -0.351 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(=O)n(CC(N)=O)c1 ZINC000522005342 484315339 /nfs/dbraw/zinc/31/53/39/484315339.db2.gz WUEVDHDOZDWERO-UHFFFAOYSA-N 2 0 352.439 -0.709 20 0 FBADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)CC1=O ZINC000522006952 484315049 /nfs/dbraw/zinc/31/50/49/484315049.db2.gz YDXKRXFJQPDOQY-INMHGKMJSA-N 2 0 352.479 -0.249 20 0 FBADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)CC1=O ZINC000522006953 484314927 /nfs/dbraw/zinc/31/49/27/484314927.db2.gz YDXKRXFJQPDOQY-UXLLHSPISA-N 2 0 352.479 -0.249 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000522066062 484318135 /nfs/dbraw/zinc/31/81/35/484318135.db2.gz QOZLUBRDSZYAIU-CABCVRRESA-N 2 0 354.499 -0.881 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000522066063 484318512 /nfs/dbraw/zinc/31/85/12/484318512.db2.gz QOZLUBRDSZYAIU-GJZGRUSLSA-N 2 0 354.499 -0.881 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000522066064 484319074 /nfs/dbraw/zinc/31/90/74/484319074.db2.gz QOZLUBRDSZYAIU-HUUCEWRRSA-N 2 0 354.499 -0.881 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000522066065 484318813 /nfs/dbraw/zinc/31/88/13/484318813.db2.gz QOZLUBRDSZYAIU-LSDHHAIUSA-N 2 0 354.499 -0.881 20 0 FBADRP COC(=O)C1CCN(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000522134929 484321367 /nfs/dbraw/zinc/32/13/67/484321367.db2.gz VCNVAVCTUSDGIF-UHFFFAOYSA-N 2 0 364.512 -0.459 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC000522135046 484320450 /nfs/dbraw/zinc/32/04/50/484320450.db2.gz DTCDJTPZAZVXEJ-UHFFFAOYSA-N 2 0 367.479 -0.224 20 0 FBADRP COCCCNC(=O)[C@H](C)N1CCN(C(=O)NCC[N@H+](C)C2CC2)CC1 ZINC000522287140 484328009 /nfs/dbraw/zinc/32/80/09/484328009.db2.gz HOXNYQIPBIBCOC-HNNXBMFYSA-N 2 0 369.510 -0.051 20 0 FBADRP COCCCNC(=O)[C@@H](C)N1CCN(C(=O)NCC[N@H+](C)C2CC2)CC1 ZINC000522287141 484327451 /nfs/dbraw/zinc/32/74/51/484327451.db2.gz HOXNYQIPBIBCOC-OAHLLOKOSA-N 2 0 369.510 -0.051 20 0 FBADRP O=C(NCCCC[NH+]1CCN(CCO)CC1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000522289105 484327205 /nfs/dbraw/zinc/32/72/05/484327205.db2.gz OSHPRAQMGWAPBS-INIZCTEOSA-N 2 0 353.511 -0.088 20 0 FBADRP O=C(NCCCC[NH+]1CCN(CCO)CC1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000522289106 484327109 /nfs/dbraw/zinc/32/71/09/484327109.db2.gz OSHPRAQMGWAPBS-MRXNPFEDSA-N 2 0 353.511 -0.088 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CN1CCC(=O)NC1=O ZINC000522666512 484335921 /nfs/dbraw/zinc/33/59/21/484335921.db2.gz KIEWDWJFMWICAT-AWEZNQCLSA-N 2 0 353.467 -0.197 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CN1CCC(=O)NC1=O ZINC000522666513 484335642 /nfs/dbraw/zinc/33/56/42/484335642.db2.gz KIEWDWJFMWICAT-CQSZACIVSA-N 2 0 353.467 -0.197 20 0 FBADRP CS(=O)(=O)NCCC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000522709170 483475219 /nfs/dbraw/zinc/47/52/19/483475219.db2.gz DYBIVIFFCGSVCF-UHFFFAOYSA-N 2 0 369.491 -0.351 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000522974615 484339958 /nfs/dbraw/zinc/33/99/58/484339958.db2.gz WOTNRKGOCOBSDZ-CABCVRRESA-N 2 0 355.483 -0.406 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000522974616 484339623 /nfs/dbraw/zinc/33/96/23/484339623.db2.gz WOTNRKGOCOBSDZ-GJZGRUSLSA-N 2 0 355.483 -0.406 20 0 FBADRP COCC[N@@H+]1CC[C@@H](NC(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000522974617 484341180 /nfs/dbraw/zinc/34/11/80/484341180.db2.gz WOTNRKGOCOBSDZ-HUUCEWRRSA-N 2 0 355.483 -0.406 20 0 FBADRP COCC[N@@H+]1CC[C@@H](NC(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000522974618 484341238 /nfs/dbraw/zinc/34/12/38/484341238.db2.gz WOTNRKGOCOBSDZ-LSDHHAIUSA-N 2 0 355.483 -0.406 20 0 FBADRP C[NH+](C)C1(CNC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CCOCC1 ZINC000522980792 484341412 /nfs/dbraw/zinc/34/14/12/484341412.db2.gz BVMHZWXUVXFCJH-AWEZNQCLSA-N 2 0 355.483 -0.264 20 0 FBADRP C[NH+](C)C1(CNC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)CCOCC1 ZINC000522980793 484341282 /nfs/dbraw/zinc/34/12/82/484341282.db2.gz BVMHZWXUVXFCJH-CQSZACIVSA-N 2 0 355.483 -0.264 20 0 FBADRP C[NH+](C)C1(CNC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CCOCC1 ZINC000522982282 484340719 /nfs/dbraw/zinc/34/07/19/484340719.db2.gz CGCAOAZPGFMHBQ-HNNXBMFYSA-N 2 0 369.510 -0.016 20 0 FBADRP C[NH+](C)C1(CNC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CCOCC1 ZINC000522982283 484340967 /nfs/dbraw/zinc/34/09/67/484340967.db2.gz CGCAOAZPGFMHBQ-OAHLLOKOSA-N 2 0 369.510 -0.016 20 0 FBADRP CN1CCN(C(=O)CCNC(=O)NCCCC[NH+]2CCN(C)CC2)CC1 ZINC000523003517 484341504 /nfs/dbraw/zinc/34/15/04/484341504.db2.gz YMAQXGXRVKOAGQ-UHFFFAOYSA-N 2 0 368.526 -0.523 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@H]2C[N@H+](C)CCN2C)CC1 ZINC000524265743 484369591 /nfs/dbraw/zinc/36/95/91/484369591.db2.gz VKEPBPDYQSJCKH-INIZCTEOSA-N 2 0 368.526 -0.572 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC000524265744 484369528 /nfs/dbraw/zinc/36/95/28/484369528.db2.gz VKEPBPDYQSJCKH-MRXNPFEDSA-N 2 0 368.526 -0.572 20 0 FBADRP CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000524290113 484368893 /nfs/dbraw/zinc/36/88/93/484368893.db2.gz AXMFWHDHLXMZEA-AWEZNQCLSA-N 2 0 364.512 -0.316 20 0 FBADRP CCOC(=O)[C@H]1CCCN1S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000524290114 484370062 /nfs/dbraw/zinc/37/00/62/484370062.db2.gz AXMFWHDHLXMZEA-CQSZACIVSA-N 2 0 364.512 -0.316 20 0 FBADRP CN(C)C(=O)CN1CCN(C(=O)C[NH+]2CCC(C[NH+](C)C)CC2)CC1 ZINC000524371486 484371524 /nfs/dbraw/zinc/37/15/24/484371524.db2.gz JNAXXBNPLRLOHV-UHFFFAOYSA-N 2 0 353.511 -0.508 20 0 FBADRP C[NH+]1CC[C@H](C(=O)NC2(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CCOCC2)C1 ZINC000524404197 484373112 /nfs/dbraw/zinc/37/31/12/484373112.db2.gz CZLZTYMHXRYZFJ-CABCVRRESA-N 2 0 352.479 -0.329 20 0 FBADRP C[NH+]1CC[C@H](C(=O)NC2(CNC(=O)[C@H]3CC[N@@H+](C)C3)CCOCC2)C1 ZINC000524404198 484372593 /nfs/dbraw/zinc/37/25/93/484372593.db2.gz CZLZTYMHXRYZFJ-GJZGRUSLSA-N 2 0 352.479 -0.329 20 0 FBADRP C[NH+]1CC[C@@H](C(=O)NC2(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CCOCC2)C1 ZINC000524404199 484372118 /nfs/dbraw/zinc/37/21/18/484372118.db2.gz CZLZTYMHXRYZFJ-HUUCEWRRSA-N 2 0 352.479 -0.329 20 0 FBADRP C[NH+]1CC[C@@H](C(=O)NC2(CNC(=O)[C@H]3CC[N@@H+](C)C3)CCOCC2)C1 ZINC000524404200 484372373 /nfs/dbraw/zinc/37/23/73/484372373.db2.gz CZLZTYMHXRYZFJ-LSDHHAIUSA-N 2 0 352.479 -0.329 20 0 FBADRP CNC(=O)c1cc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)cn1C ZINC000524709700 484381639 /nfs/dbraw/zinc/38/16/39/484381639.db2.gz XFYUTICTDAOZPD-UHFFFAOYSA-N 2 0 359.496 -0.501 20 0 FBADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CCC(=O)NC(N)=O)CC1 ZINC000524857094 484396210 /nfs/dbraw/zinc/39/62/10/484396210.db2.gz PKKXDISMFDSVGA-UHFFFAOYSA-N 2 0 355.483 -0.013 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCNC(=O)c1cccnc1 ZINC000524903331 484397458 /nfs/dbraw/zinc/39/74/58/484397458.db2.gz JVJFOFFUOGUNTO-UHFFFAOYSA-N 2 0 350.467 -0.054 20 0 FBADRP CN1CCN(C(=O)CCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000525419334 484407252 /nfs/dbraw/zinc/40/72/52/484407252.db2.gz SADAZTYLXSZPBG-UHFFFAOYSA-N 2 0 356.515 -0.715 20 0 FBADRP CN(C)C(=O)CN1CCC(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000525439486 483428278 /nfs/dbraw/zinc/42/82/78/483428278.db2.gz VSVQBPRBJLLUPM-UHFFFAOYSA-N 2 0 370.542 -0.326 20 0 FBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000525446887 483498067 /nfs/dbraw/zinc/49/80/67/483498067.db2.gz HMPGTFSQPRWGGJ-HNNXBMFYSA-N 2 0 369.510 -0.315 20 0 FBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000525446888 483498686 /nfs/dbraw/zinc/49/86/86/483498686.db2.gz HMPGTFSQPRWGGJ-OAHLLOKOSA-N 2 0 369.510 -0.315 20 0 FBADRP CC(C)NS(=O)(=O)CCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000525447059 483498752 /nfs/dbraw/zinc/49/87/52/483498752.db2.gz NNYHUVSMDAWIRL-UHFFFAOYSA-N 2 0 351.517 -0.551 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ncn(C(C)(C)C)n1 ZINC000525882375 484088861 /nfs/dbraw/zinc/08/88/61/484088861.db2.gz ORUSWTJYOWUMKZ-UHFFFAOYSA-N 2 0 353.471 -0.077 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(-n2cnnn2)c1 ZINC000525882714 484084857 /nfs/dbraw/zinc/08/48/57/484084857.db2.gz KYWWTTAZGWBVQL-UHFFFAOYSA-N 2 0 374.449 -0.447 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(C(N)=O)ccc1F ZINC000525882774 484084991 /nfs/dbraw/zinc/08/49/91/484084991.db2.gz WEHNIXNVMGOGAT-UHFFFAOYSA-N 2 0 367.425 -0.185 20 0 FBADRP Cc1cc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cn(C)c1=O ZINC000525882793 484084951 /nfs/dbraw/zinc/08/49/51/484084951.db2.gz FJCVEMHWGLSPSH-UHFFFAOYSA-N 2 0 351.451 -0.416 20 0 FBADRP Cc1cc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccc1C(N)=O ZINC000525882868 484084648 /nfs/dbraw/zinc/08/46/48/484084648.db2.gz JYYLJXAYITTWQL-UHFFFAOYSA-N 2 0 363.462 -0.016 20 0 FBADRP CNC(=O)c1ccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000525882885 484084718 /nfs/dbraw/zinc/08/47/18/484084718.db2.gz UKSZMSDSEKYHOC-UHFFFAOYSA-N 2 0 363.462 -0.064 20 0 FBADRP Cc1cc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(=O)n(C)c1 ZINC000525882931 484084252 /nfs/dbraw/zinc/08/42/52/484084252.db2.gz OYUASCSGBWGVAM-UHFFFAOYSA-N 2 0 351.451 -0.416 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(C(N)=O)cc1F ZINC000525882945 484084666 /nfs/dbraw/zinc/08/46/66/484084666.db2.gz SWZYFNZAIVRYPY-UHFFFAOYSA-N 2 0 367.425 -0.185 20 0 FBADRP CN(C)C(=O)Cn1cc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cn1 ZINC000525884082 484085078 /nfs/dbraw/zinc/08/50/78/484085078.db2.gz UIDLORAWFBHPMF-UHFFFAOYSA-N 2 0 353.471 -0.072 20 0 FBADRP CNC(=O)Cn1nc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1C ZINC000525890456 484175098 /nfs/dbraw/zinc/17/50/98/484175098.db2.gz GOQIELOUTYPEPQ-UHFFFAOYSA-N 2 0 353.471 -0.105 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccnc1-n1cncn1 ZINC000526131809 484470772 /nfs/dbraw/zinc/47/07/72/484470772.db2.gz RNRMWJZGZNUEAI-UHFFFAOYSA-N 2 0 374.449 -0.447 20 0 FBADRP COCc1cc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)ncn1 ZINC000526131870 484470511 /nfs/dbraw/zinc/47/05/11/484470511.db2.gz DDMFQYDOXVNBSE-UHFFFAOYSA-N 2 0 352.439 -0.487 20 0 FBADRP Cc1ccc(C(N)=O)cc1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000526132083 484470955 /nfs/dbraw/zinc/47/09/55/484470955.db2.gz BDSJSDDNLIIRRC-UHFFFAOYSA-N 2 0 363.462 -0.016 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cnn(-c2ncccn2)c1 ZINC000526132140 484470380 /nfs/dbraw/zinc/47/03/80/484470380.db2.gz DMLGPBRCXXDIEH-UHFFFAOYSA-N 2 0 374.449 -0.447 20 0 FBADRP CNC(=O)c1cccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000526132143 484470705 /nfs/dbraw/zinc/47/07/05/484470705.db2.gz FYQKZTUWOSSEMJ-UHFFFAOYSA-N 2 0 363.462 -0.064 20 0 FBADRP Cn1nc2c(c1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCC2 ZINC000526132161 484470603 /nfs/dbraw/zinc/47/06/03/484470603.db2.gz OSTUGCNBIYKGDE-UHFFFAOYSA-N 2 0 350.467 -0.201 20 0 FBADRP CN(C)C(=O)Cn1cnc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)n1 ZINC000526133597 483757318 /nfs/dbraw/zinc/75/73/18/483757318.db2.gz JAWGXYDEGZCZAF-UHFFFAOYSA-N 2 0 354.459 -0.677 20 0 FBADRP CCS(=O)(=O)N1CC(CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000526191887 484473314 /nfs/dbraw/zinc/47/33/14/484473314.db2.gz FJCKSWWFPUQDTG-UHFFFAOYSA-N 2 0 363.528 -0.597 20 0 FBADRP CN(C)c1ncc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cn1 ZINC000527124220 485136457 /nfs/dbraw/zinc/13/64/57/485136457.db2.gz XACTXCCGWFGIBR-UHFFFAOYSA-N 2 0 351.455 -0.567 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(C(N)=O)c(F)c1 ZINC000527124465 485136178 /nfs/dbraw/zinc/13/61/78/485136178.db2.gz PIPLLGLXZFXIDA-UHFFFAOYSA-N 2 0 367.425 -0.185 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(-n2cnnn2)cc1 ZINC000527373995 484173232 /nfs/dbraw/zinc/17/32/32/484173232.db2.gz LDIBNLAYXZQVQJ-UHFFFAOYSA-N 2 0 374.449 -0.447 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(-n2cncn2)nc1 ZINC000527374076 484172740 /nfs/dbraw/zinc/17/27/40/484172740.db2.gz VVBPYFXQYPNXCP-UHFFFAOYSA-N 2 0 374.449 -0.447 20 0 FBADRP CN(C)c1ncncc1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000527374269 484172668 /nfs/dbraw/zinc/17/26/68/484172668.db2.gz CKRNLICDMHCIHU-UHFFFAOYSA-N 2 0 351.455 -0.567 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(C(N)=O)n1 ZINC000527374350 484172943 /nfs/dbraw/zinc/17/29/43/484172943.db2.gz KMJVJEWJCQSIPU-UHFFFAOYSA-N 2 0 350.423 -0.929 20 0 FBADRP CN(C)C(=O)Cn1ccc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)n1 ZINC000527376698 484088280 /nfs/dbraw/zinc/08/82/80/484088280.db2.gz JRBAYCZOKJRPGV-UHFFFAOYSA-N 2 0 353.471 -0.072 20 0 FBADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC1(C[NH3+])CCOCC1 ZINC000528057446 485158506 /nfs/dbraw/zinc/15/85/06/485158506.db2.gz WAUBSANHTBNVFK-UHFFFAOYSA-N 2 0 359.496 -0.152 20 0 FBADRP CC[NH+]1CCC(NC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CC1 ZINC000529280965 484487840 /nfs/dbraw/zinc/48/78/40/484487840.db2.gz DRBWWTUHISBBOH-UHFFFAOYSA-N 2 0 352.483 -0.177 20 0 FBADRP O=C(NC1CC[NH+](C2CC2)CC1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529283275 484488008 /nfs/dbraw/zinc/48/80/08/484488008.db2.gz AKWWPELEQMYPFF-UHFFFAOYSA-N 2 0 364.494 -0.034 20 0 FBADRP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529291906 484487893 /nfs/dbraw/zinc/48/78/93/484487893.db2.gz QQPCYDGVDWYRSR-HNNXBMFYSA-N 2 0 364.494 -0.177 20 0 FBADRP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529291908 484487345 /nfs/dbraw/zinc/48/73/45/484487345.db2.gz QQPCYDGVDWYRSR-OAHLLOKOSA-N 2 0 364.494 -0.177 20 0 FBADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NC[C@H]2COCC[NH2+]2)c1 ZINC000529302345 484487548 /nfs/dbraw/zinc/48/75/48/484487548.db2.gz KOCLWSFIZDSKFL-INIZCTEOSA-N 2 0 363.462 -0.234 20 0 FBADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NC[C@@H]2COCC[NH2+]2)c1 ZINC000529302347 484487793 /nfs/dbraw/zinc/48/77/93/484487793.db2.gz KOCLWSFIZDSKFL-MRXNPFEDSA-N 2 0 363.462 -0.234 20 0 FBADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529304054 484487691 /nfs/dbraw/zinc/48/76/91/484487691.db2.gz MMARJVAAJVQHHI-CVEARBPZSA-N 2 0 364.494 -0.034 20 0 FBADRP O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529304060 484487180 /nfs/dbraw/zinc/48/71/80/484487180.db2.gz MMARJVAAJVQHHI-HOTGVXAUSA-N 2 0 364.494 -0.034 20 0 FBADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529304061 484487905 /nfs/dbraw/zinc/48/79/05/484487905.db2.gz MMARJVAAJVQHHI-HZPDHXFCSA-N 2 0 364.494 -0.034 20 0 FBADRP O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529304062 484487968 /nfs/dbraw/zinc/48/79/68/484487968.db2.gz MMARJVAAJVQHHI-JKSUJKDBSA-N 2 0 364.494 -0.034 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C1 ZINC000529308340 484486916 /nfs/dbraw/zinc/48/69/16/484486916.db2.gz GEMZHIZSGKMNSL-HNNXBMFYSA-N 2 0 368.482 -0.941 20 0 FBADRP COCC[N@@H+]1CC[C@@H](NC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C1 ZINC000529308341 484487813 /nfs/dbraw/zinc/48/78/13/484487813.db2.gz GEMZHIZSGKMNSL-OAHLLOKOSA-N 2 0 368.482 -0.941 20 0 FBADRP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529308634 484487871 /nfs/dbraw/zinc/48/78/71/484487871.db2.gz QADKEQMHAHARGN-AWEZNQCLSA-N 2 0 350.467 -0.425 20 0 FBADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529308636 484486998 /nfs/dbraw/zinc/48/69/98/484486998.db2.gz QADKEQMHAHARGN-CQSZACIVSA-N 2 0 350.467 -0.425 20 0 FBADRP C[C@@H](CNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)[N@H+](C)C1CC1 ZINC000529308935 484487919 /nfs/dbraw/zinc/48/79/19/484487919.db2.gz TWHOIAXNRXDZLG-AWEZNQCLSA-N 2 0 352.483 -0.179 20 0 FBADRP C[C@H](CNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)[N@H+](C)C1CC1 ZINC000529308947 484487937 /nfs/dbraw/zinc/48/79/37/484487937.db2.gz TWHOIAXNRXDZLG-CQSZACIVSA-N 2 0 352.483 -0.179 20 0 FBADRP C[C@@H]1C[C@@H](NC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CC[N@@H+]1C ZINC000529315111 484489783 /nfs/dbraw/zinc/48/97/83/484489783.db2.gz XBJIGEHESWYSGX-CABCVRRESA-N 2 0 352.483 -0.179 20 0 FBADRP C[C@H]1C[C@@H](NC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CC[N@@H+]1C ZINC000529315113 484489678 /nfs/dbraw/zinc/48/96/78/484489678.db2.gz XBJIGEHESWYSGX-GJZGRUSLSA-N 2 0 352.483 -0.179 20 0 FBADRP C[C@@H]1C[C@H](NC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CC[N@@H+]1C ZINC000529315115 484489301 /nfs/dbraw/zinc/48/93/01/484489301.db2.gz XBJIGEHESWYSGX-HUUCEWRRSA-N 2 0 352.483 -0.179 20 0 FBADRP C[C@H]1C[C@H](NC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CC[N@@H+]1C ZINC000529315117 484489148 /nfs/dbraw/zinc/48/91/48/484489148.db2.gz XBJIGEHESWYSGX-LSDHHAIUSA-N 2 0 352.483 -0.179 20 0 FBADRP C[C@@H]1C[C@H](NC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C[N@@H+]1C1CC1 ZINC000529317711 484488760 /nfs/dbraw/zinc/48/87/60/484488760.db2.gz UNQDVKUQUJXBRI-CABCVRRESA-N 2 0 364.494 -0.036 20 0 FBADRP C[C@H]1C[C@H](NC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C[N@@H+]1C1CC1 ZINC000529317712 484489623 /nfs/dbraw/zinc/48/96/23/484489623.db2.gz UNQDVKUQUJXBRI-GJZGRUSLSA-N 2 0 364.494 -0.036 20 0 FBADRP C[C@@H]1C[C@@H](NC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C[N@@H+]1C1CC1 ZINC000529317713 484488730 /nfs/dbraw/zinc/48/87/30/484488730.db2.gz UNQDVKUQUJXBRI-HUUCEWRRSA-N 2 0 364.494 -0.036 20 0 FBADRP C[C@H]1C[C@@H](NC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C[N@@H+]1C1CC1 ZINC000529317714 484489076 /nfs/dbraw/zinc/48/90/76/484489076.db2.gz UNQDVKUQUJXBRI-LSDHHAIUSA-N 2 0 364.494 -0.036 20 0 FBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529317923 484489316 /nfs/dbraw/zinc/48/93/16/484489316.db2.gz QFDHIFSQYIXYKK-GDBMZVCRSA-N 2 0 364.494 -0.179 20 0 FBADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529317925 484489221 /nfs/dbraw/zinc/48/92/21/484489221.db2.gz QFDHIFSQYIXYKK-GOEBONIOSA-N 2 0 364.494 -0.179 20 0 FBADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529317927 484488947 /nfs/dbraw/zinc/48/89/47/484488947.db2.gz QFDHIFSQYIXYKK-HOCLYGCPSA-N 2 0 364.494 -0.179 20 0 FBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529317929 484489254 /nfs/dbraw/zinc/48/92/54/484489254.db2.gz QFDHIFSQYIXYKK-ZBFHGGJFSA-N 2 0 364.494 -0.179 20 0 FBADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000529319179 484489171 /nfs/dbraw/zinc/48/91/71/484489171.db2.gz ZQIAWCMNOYJJDB-HNNXBMFYSA-N 2 0 369.510 -0.099 20 0 FBADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000529319180 484489440 /nfs/dbraw/zinc/48/94/40/484489440.db2.gz ZQIAWCMNOYJJDB-OAHLLOKOSA-N 2 0 369.510 -0.099 20 0 FBADRP C[NH+](C)C1(CNC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CCC1 ZINC000529321206 484489028 /nfs/dbraw/zinc/48/90/28/484489028.db2.gz NCKQKOUDBKXDER-UHFFFAOYSA-N 2 0 352.483 -0.177 20 0 FBADRP O=C(NCC[N@@H+]1CCCOCC1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529325691 484490855 /nfs/dbraw/zinc/49/08/55/484490855.db2.gz LBARNKIWEMAUIO-UHFFFAOYSA-N 2 0 368.482 -0.939 20 0 FBADRP C[C@H](NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)C1=CC[N@H+](C)CC1 ZINC000529326819 484491667 /nfs/dbraw/zinc/49/16/67/484491667.db2.gz VAMAWIMQVOQNIJ-HNNXBMFYSA-N 2 0 364.494 -0.011 20 0 FBADRP C[C@@H](NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)C1=CC[N@H+](C)CC1 ZINC000529326821 484491053 /nfs/dbraw/zinc/49/10/53/484491053.db2.gz VAMAWIMQVOQNIJ-OAHLLOKOSA-N 2 0 364.494 -0.011 20 0 FBADRP CC1([NH+]2CCOCC2)CCN(C(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000529328780 484490680 /nfs/dbraw/zinc/49/06/80/484490680.db2.gz GUBVDPQBUJOJFP-UHFFFAOYSA-N 2 0 353.467 -0.686 20 0 FBADRP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529330362 484490716 /nfs/dbraw/zinc/49/07/16/484490716.db2.gz AZDMUVJNJUDISQ-CABCVRRESA-N 2 0 352.483 -0.144 20 0 FBADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529330367 484490972 /nfs/dbraw/zinc/49/09/72/484490972.db2.gz AZDMUVJNJUDISQ-GJZGRUSLSA-N 2 0 352.483 -0.144 20 0 FBADRP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529330368 484491564 /nfs/dbraw/zinc/49/15/64/484491564.db2.gz AZDMUVJNJUDISQ-HUUCEWRRSA-N 2 0 352.483 -0.144 20 0 FBADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529330369 484491250 /nfs/dbraw/zinc/49/12/50/484491250.db2.gz AZDMUVJNJUDISQ-LSDHHAIUSA-N 2 0 352.483 -0.144 20 0 FBADRP O=C(CNC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1)N1CC[NH2+]CC1 ZINC000529330482 484490817 /nfs/dbraw/zinc/49/08/17/484490817.db2.gz QAEXNMPTDWDLJS-HNNXBMFYSA-N 2 0 353.467 -0.782 20 0 FBADRP O=C(CNC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1)N1CC[NH2+]CC1 ZINC000529330483 484490708 /nfs/dbraw/zinc/49/07/08/484490708.db2.gz QAEXNMPTDWDLJS-OAHLLOKOSA-N 2 0 353.467 -0.782 20 0 FBADRP C[C@@H](NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000529331215 484490625 /nfs/dbraw/zinc/49/06/25/484490625.db2.gz JJUOAQQQYNLHQP-CABCVRRESA-N 2 0 352.483 -0.273 20 0 FBADRP C[C@H](NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000529331222 484490562 /nfs/dbraw/zinc/49/05/62/484490562.db2.gz JJUOAQQQYNLHQP-GJZGRUSLSA-N 2 0 352.483 -0.273 20 0 FBADRP C[C@@H](NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000529331223 484490765 /nfs/dbraw/zinc/49/07/65/484490765.db2.gz JJUOAQQQYNLHQP-HUUCEWRRSA-N 2 0 352.483 -0.273 20 0 FBADRP C[C@H](NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000529331224 484490662 /nfs/dbraw/zinc/49/06/62/484490662.db2.gz JJUOAQQQYNLHQP-LSDHHAIUSA-N 2 0 352.483 -0.273 20 0 FBADRP C[C@]1(CNC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CCC[NH2+]C1 ZINC000529332718 484492762 /nfs/dbraw/zinc/49/27/62/484492762.db2.gz BSNNOZMLOXCIAP-KRWDZBQOSA-N 2 0 352.483 -0.272 20 0 FBADRP C[C@@]1(CNC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CCC[NH2+]C1 ZINC000529332719 484492347 /nfs/dbraw/zinc/49/23/47/484492347.db2.gz BSNNOZMLOXCIAP-QGZVFWFLSA-N 2 0 352.483 -0.272 20 0 FBADRP O=C(NCC[C@@H]1CCC[NH2+]C1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529334636 484492072 /nfs/dbraw/zinc/49/20/72/484492072.db2.gz WXZXBFFYOGQWSP-HNNXBMFYSA-N 2 0 352.483 -0.272 20 0 FBADRP O=C(NCC[C@H]1CCC[NH2+]C1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529334637 484492222 /nfs/dbraw/zinc/49/22/22/484492222.db2.gz WXZXBFFYOGQWSP-OAHLLOKOSA-N 2 0 352.483 -0.272 20 0 FBADRP [NH3+][C@H]1CCC[C@@H](CNC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C1 ZINC000529336548 484492575 /nfs/dbraw/zinc/49/25/75/484492575.db2.gz CUXBYBCSGIMDSF-CABCVRRESA-N 2 0 352.483 -0.144 20 0 FBADRP [NH3+][C@H]1CCC[C@H](CNC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C1 ZINC000529336551 484492161 /nfs/dbraw/zinc/49/21/61/484492161.db2.gz CUXBYBCSGIMDSF-GJZGRUSLSA-N 2 0 352.483 -0.144 20 0 FBADRP [NH3+][C@@H]1CCC[C@@H](CNC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C1 ZINC000529336553 484492231 /nfs/dbraw/zinc/49/22/31/484492231.db2.gz CUXBYBCSGIMDSF-HUUCEWRRSA-N 2 0 352.483 -0.144 20 0 FBADRP [NH3+][C@@H]1CCC[C@H](CNC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C1 ZINC000529336555 484492404 /nfs/dbraw/zinc/49/24/04/484492404.db2.gz CUXBYBCSGIMDSF-LSDHHAIUSA-N 2 0 352.483 -0.144 20 0 FBADRP CC1(CNC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CC[NH2+]CC1 ZINC000529337211 484492675 /nfs/dbraw/zinc/49/26/75/484492675.db2.gz XGKAZAMPSUFFES-UHFFFAOYSA-N 2 0 352.483 -0.272 20 0 FBADRP O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529337801 484492948 /nfs/dbraw/zinc/49/29/48/484492948.db2.gz IVBBJJJRYHVWJF-JKSUJKDBSA-N 2 0 364.494 -0.273 20 0 FBADRP O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529337832 484492354 /nfs/dbraw/zinc/49/23/54/484492354.db2.gz ADBQLWFBQLXEJE-ARFHVFGLSA-N 2 0 364.494 -0.273 20 0 FBADRP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529337834 484492151 /nfs/dbraw/zinc/49/21/51/484492151.db2.gz ADBQLWFBQLXEJE-BZUAXINKSA-N 2 0 364.494 -0.273 20 0 FBADRP O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529337837 484492566 /nfs/dbraw/zinc/49/25/66/484492566.db2.gz ADBQLWFBQLXEJE-HRCADAONSA-N 2 0 364.494 -0.273 20 0 FBADRP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529337839 484492499 /nfs/dbraw/zinc/49/24/99/484492499.db2.gz ADBQLWFBQLXEJE-OWCLPIDISA-N 2 0 364.494 -0.273 20 0 FBADRP O=C(NCCC[C@@H]1CCC[NH2+]1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529338000 484492619 /nfs/dbraw/zinc/49/26/19/484492619.db2.gz HKNQUYIVAATDBU-HNNXBMFYSA-N 2 0 352.483 -0.129 20 0 FBADRP O=C(NCCC[C@H]1CCC[NH2+]1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529338001 484492914 /nfs/dbraw/zinc/49/29/14/484492914.db2.gz HKNQUYIVAATDBU-OAHLLOKOSA-N 2 0 352.483 -0.129 20 0 FBADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529338056 484492250 /nfs/dbraw/zinc/49/22/50/484492250.db2.gz IKOBCIFKRUHXSO-PJPHBNEVSA-N 2 0 364.494 -0.145 20 0 FBADRP O=C(NCCC1=CC[NH2+]CC1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529340169 484492099 /nfs/dbraw/zinc/49/20/99/484492099.db2.gz QPIYXCCDIVXUGE-UHFFFAOYSA-N 2 0 350.467 -0.351 20 0 FBADRP [NH3+]C[C@H](NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)C1CCCC1 ZINC000529340241 484492530 /nfs/dbraw/zinc/49/25/30/484492530.db2.gz RBKFQUZQLILSTE-HNNXBMFYSA-N 2 0 352.483 -0.144 20 0 FBADRP [NH3+]C[C@@H](NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)C1CCCC1 ZINC000529340244 484492587 /nfs/dbraw/zinc/49/25/87/484492587.db2.gz RBKFQUZQLILSTE-OAHLLOKOSA-N 2 0 352.483 -0.144 20 0 FBADRP O=C(N[C@H]1CC12CC[NH2+]CC2)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529342439 484492414 /nfs/dbraw/zinc/49/24/14/484492414.db2.gz LCUIPABEDXDSPB-AWEZNQCLSA-N 2 0 350.467 -0.519 20 0 FBADRP O=C(N[C@@H]1CC12CC[NH2+]CC2)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529342440 484492300 /nfs/dbraw/zinc/49/23/00/484492300.db2.gz LCUIPABEDXDSPB-CQSZACIVSA-N 2 0 350.467 -0.519 20 0 FBADRP [NH3+]Cc1ccc(CNC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)cc1 ZINC000529342862 484492054 /nfs/dbraw/zinc/49/20/54/484492054.db2.gz MVZFPOMOBOLGHM-UHFFFAOYSA-N 2 0 360.462 -0.002 20 0 FBADRP O=C(NC[C@@H]1CCCN(C(=O)NC[C@H]2COCC[NH2+]2)C1)[C@@H]1CCC[NH2+]1 ZINC000529388414 484495216 /nfs/dbraw/zinc/49/52/16/484495216.db2.gz ODAZRWANFAYKGI-KKUMJFAQSA-N 2 0 353.467 -0.735 20 0 FBADRP O=C(NC[C@@H]1CCCN(C(=O)NC[C@@H]2COCC[NH2+]2)C1)[C@H]1CCC[NH2+]1 ZINC000529388415 484495265 /nfs/dbraw/zinc/49/52/65/484495265.db2.gz ODAZRWANFAYKGI-RRFJBIMHSA-N 2 0 353.467 -0.735 20 0 FBADRP O=C(NC[C@@H]1CCCN(C(=O)NC[C@H]2COCC[NH2+]2)C1)[C@H]1CCC[NH2+]1 ZINC000529388416 484494780 /nfs/dbraw/zinc/49/47/80/484494780.db2.gz ODAZRWANFAYKGI-SOUVJXGZSA-N 2 0 353.467 -0.735 20 0 FBADRP O=C(NC[C@@H]1CCCN(C(=O)NC[C@@H]2COCC[NH2+]2)C1)[C@@H]1CCC[NH2+]1 ZINC000529388417 484495329 /nfs/dbraw/zinc/49/53/29/484495329.db2.gz ODAZRWANFAYKGI-ZNMIVQPWSA-N 2 0 353.467 -0.735 20 0 FBADRP CC[NH+]1CCC(NC(=O)CN2CCN(C(=O)N3CC[NH2+]CC3)CC2)CC1 ZINC000530220847 484511307 /nfs/dbraw/zinc/51/13/07/484511307.db2.gz DEBAVLYLAUSWNX-UHFFFAOYSA-N 2 0 366.510 -0.770 20 0 FBADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000530225267 484512210 /nfs/dbraw/zinc/51/22/10/484512210.db2.gz WBWOWPFDFJQYDL-ROUUACIJSA-N 2 0 361.490 -0.440 20 0 FBADRP CC(=O)N1CCN(C(=O)C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)CC1 ZINC000530238432 484511900 /nfs/dbraw/zinc/51/19/00/484511900.db2.gz NPEXMDJNZOBUHO-KRWDZBQOSA-N 2 0 352.479 -0.232 20 0 FBADRP CC(=O)N1CCN(C(=O)C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000530238437 484512375 /nfs/dbraw/zinc/51/23/75/484512375.db2.gz NPEXMDJNZOBUHO-QGZVFWFLSA-N 2 0 352.479 -0.232 20 0 FBADRP O=C(N1CC[NH2+]CC1)N1CCN(Cc2nc3c(s2)C[NH2+]CC3)CC1 ZINC000530242029 484512340 /nfs/dbraw/zinc/51/23/40/484512340.db2.gz IXNUKPAQJUIRNB-UHFFFAOYSA-N 2 0 350.492 -0.068 20 0 FBADRP CNc1nc(NCC[NH+]2CC=CCC2)nc(NCC[N@H+]2CC=CCC2)n1 ZINC000530377517 484516974 /nfs/dbraw/zinc/51/69/74/484516974.db2.gz JMNSTYBKIHCBCY-UHFFFAOYSA-N 2 0 358.494 -0.473 20 0 FBADRP CC[NH+]1CCN(CCC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000530576288 483506260 /nfs/dbraw/zinc/50/62/60/483506260.db2.gz BTMRVOGAXIHVQV-INIZCTEOSA-N 2 0 353.511 -0.282 20 0 FBADRP CC[NH+]1CCN(CCC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000530576289 483506137 /nfs/dbraw/zinc/50/61/37/483506137.db2.gz BTMRVOGAXIHVQV-MRXNPFEDSA-N 2 0 353.511 -0.282 20 0 FBADRP CN(CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)S(=O)(=O)c1cccnc1 ZINC000530641173 483510198 /nfs/dbraw/zinc/51/01/98/483510198.db2.gz BSEMOBZMHQRJFL-UHFFFAOYSA-N 2 0 371.507 -0.346 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CCc1nc(-c2nc[nH]n2)no1 ZINC000530641234 483510852 /nfs/dbraw/zinc/51/08/52/483510852.db2.gz YJWZZRCJQRVGRJ-UHFFFAOYSA-N 2 0 350.427 -0.261 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CCNS(=O)(=O)c1cccnc1 ZINC000530641809 483510456 /nfs/dbraw/zinc/51/04/56/483510456.db2.gz PUAXZUILOKDSGF-UHFFFAOYSA-N 2 0 371.507 -0.298 20 0 FBADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC1=O ZINC000530679399 483511320 /nfs/dbraw/zinc/51/13/20/483511320.db2.gz AUKPNCYVGQIUBO-CVEARBPZSA-N 2 0 352.479 -0.423 20 0 FBADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC1=O ZINC000530679404 483511757 /nfs/dbraw/zinc/51/17/57/483511757.db2.gz AUKPNCYVGQIUBO-HOTGVXAUSA-N 2 0 352.479 -0.423 20 0 FBADRP C[NH+](C)CCN1C[C@H](C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC1=O ZINC000530679405 483511802 /nfs/dbraw/zinc/51/18/02/483511802.db2.gz AUKPNCYVGQIUBO-HZPDHXFCSA-N 2 0 352.479 -0.423 20 0 FBADRP C[NH+](C)CCN1C[C@H](C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC1=O ZINC000530679406 483512058 /nfs/dbraw/zinc/51/20/58/483512058.db2.gz AUKPNCYVGQIUBO-JKSUJKDBSA-N 2 0 352.479 -0.423 20 0 FBADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CC[NH+](CC3CCOCC3)CC2)CC1=O ZINC000530823243 483541299 /nfs/dbraw/zinc/54/12/99/483541299.db2.gz RGRCZUFGHFCGBX-KRWDZBQOSA-N 2 0 366.506 -0.033 20 0 FBADRP C[NH+](C)CCN1C[C@H](C(=O)N2CC[NH+](CC3CCOCC3)CC2)CC1=O ZINC000530823246 483540201 /nfs/dbraw/zinc/54/02/01/483540201.db2.gz RGRCZUFGHFCGBX-QGZVFWFLSA-N 2 0 366.506 -0.033 20 0 FBADRP CC[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C(=O)N1CCOCC1 ZINC000530992603 659901597 /nfs/dbraw/zinc/90/15/97/659901597.db2.gz IDVPJEHFNGWWSX-HNNXBMFYSA-N 2 0 357.499 -0.241 20 0 FBADRP CC[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C(=O)N1CCOCC1 ZINC000530992604 659901630 /nfs/dbraw/zinc/90/16/30/659901630.db2.gz IDVPJEHFNGWWSX-OAHLLOKOSA-N 2 0 357.499 -0.241 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc(CNS(C)(=O)=O)o1 ZINC000531009583 483832733 /nfs/dbraw/zinc/83/27/33/483832733.db2.gz RQAGJYDQXWJGJM-UHFFFAOYSA-N 2 0 360.480 -0.106 20 0 FBADRP CC[NH+]1CCN(CCC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000531052581 483835889 /nfs/dbraw/zinc/83/58/89/483835889.db2.gz SAYZLZRYWYWKFK-UHFFFAOYSA-N 2 0 365.522 -0.219 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000531077307 483839901 /nfs/dbraw/zinc/83/99/01/483839901.db2.gz UORVTDRQEDSRQP-UHFFFAOYSA-N 2 0 363.528 -0.455 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O ZINC000531118705 483899458 /nfs/dbraw/zinc/89/94/58/483899458.db2.gz XDVJZHRSXOYMCU-KRWDZBQOSA-N 2 0 353.467 -0.341 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O ZINC000531118706 483899272 /nfs/dbraw/zinc/89/92/72/483899272.db2.gz XDVJZHRSXOYMCU-QGZVFWFLSA-N 2 0 353.467 -0.341 20 0 FBADRP CN(C)S(=O)(=O)c1c[nH]c(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000531118939 483905268 /nfs/dbraw/zinc/90/52/68/483905268.db2.gz OYZJJBGIVPWWTQ-UHFFFAOYSA-N 2 0 359.496 -0.170 20 0 FBADRP CCS(=O)(=O)N1CCC(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000531119045 483910636 /nfs/dbraw/zinc/91/06/36/483910636.db2.gz WEIZNPXCPNJHRS-UHFFFAOYSA-N 2 0 362.540 0.000 20 0 FBADRP CNC(=O)CCOC1CC[NH+]([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)CC1 ZINC000531205000 483580632 /nfs/dbraw/zinc/58/06/32/483580632.db2.gz YOJFMNZQAGGASG-HNNXBMFYSA-N 2 0 368.478 -0.317 20 0 FBADRP CNC(=O)CCOC1CC[NH+]([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)CC1 ZINC000531205001 483580001 /nfs/dbraw/zinc/58/00/01/483580001.db2.gz YOJFMNZQAGGASG-OAHLLOKOSA-N 2 0 368.478 -0.317 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CSCC(=O)N1CCOCC1 ZINC000531357674 483742963 /nfs/dbraw/zinc/74/29/63/483742963.db2.gz URPLMAXZQHCELE-UHFFFAOYSA-N 2 0 360.524 -0.470 20 0 FBADRP Cc1nc2nc(N)nn2c(C)c1CC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000531357764 484546793 /nfs/dbraw/zinc/54/67/93/484546793.db2.gz IACCSQBKXWIPCQ-UHFFFAOYSA-N 2 0 362.482 -0.182 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000531357948 483743285 /nfs/dbraw/zinc/74/32/85/483743285.db2.gz UXNIOJDYVYPUCI-UHFFFAOYSA-N 2 0 353.467 -0.197 20 0 FBADRP CNC(=O)CCOC1CC[NH+]([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)CC1 ZINC000531443854 483772873 /nfs/dbraw/zinc/77/28/73/483772873.db2.gz RYUZISREFGQXSD-AWEZNQCLSA-N 2 0 354.451 -0.707 20 0 FBADRP CNC(=O)CCOC1CC[NH+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)CC1 ZINC000531443855 483772803 /nfs/dbraw/zinc/77/28/03/483772803.db2.gz RYUZISREFGQXSD-CQSZACIVSA-N 2 0 354.451 -0.707 20 0 FBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C[C@@H](O)COC[C@H]2CCCO2)CC1 ZINC000531733133 484020064 /nfs/dbraw/zinc/02/00/64/484020064.db2.gz PBNCXKREZSHQPR-BRWVUGGUSA-N 2 0 355.479 -0.219 20 0 FBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C[C@H](O)COC[C@H]2CCCO2)CC1 ZINC000531733134 484020329 /nfs/dbraw/zinc/02/03/29/484020329.db2.gz PBNCXKREZSHQPR-GVDBMIGSSA-N 2 0 355.479 -0.219 20 0 FBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C[C@@H](O)COC[C@@H]2CCCO2)CC1 ZINC000531733135 484021353 /nfs/dbraw/zinc/02/13/53/484021353.db2.gz PBNCXKREZSHQPR-IXDOHACOSA-N 2 0 355.479 -0.219 20 0 FBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C[C@H](O)COC[C@@H]2CCCO2)CC1 ZINC000531733136 484021435 /nfs/dbraw/zinc/02/14/35/484021435.db2.gz PBNCXKREZSHQPR-YESZJQIVSA-N 2 0 355.479 -0.219 20 0 FBADRP C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000531776432 484024687 /nfs/dbraw/zinc/02/46/87/484024687.db2.gz DKKWNEOJMQMJCR-CYBMUJFWSA-N 2 0 374.511 -0.961 20 0 FBADRP C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000531776433 484024835 /nfs/dbraw/zinc/02/48/35/484024835.db2.gz DKKWNEOJMQMJCR-ZDUSSCGKSA-N 2 0 374.511 -0.961 20 0 FBADRP CC[NH+]1CCN(CC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000532532666 484481465 /nfs/dbraw/zinc/48/14/65/484481465.db2.gz UNFUJLFLZGIVST-INIZCTEOSA-N 2 0 351.495 -0.611 20 0 FBADRP CC[NH+]1CCN(CC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000532532667 484480982 /nfs/dbraw/zinc/48/09/82/484480982.db2.gz UNFUJLFLZGIVST-MRXNPFEDSA-N 2 0 351.495 -0.611 20 0 FBADRP CC(C)[NH+](CCO)CC(=O)N1CCN(C(=O)C[N@@H+](CCO)C(C)C)CC1 ZINC000532929999 484632207 /nfs/dbraw/zinc/63/22/07/484632207.db2.gz DPDWPBOKKJYRPL-UHFFFAOYSA-N 2 0 372.510 -0.937 20 0 FBADRP CCOC(=O)c1c[nH]nc1S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000533095974 485176369 /nfs/dbraw/zinc/17/63/69/485176369.db2.gz RWCNVDXUOMOSON-UHFFFAOYSA-N 2 0 361.468 -0.300 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000533119423 485186514 /nfs/dbraw/zinc/18/65/14/485186514.db2.gz PYUMVLRDABKIIW-CQSZACIVSA-N 2 0 363.528 -0.455 20 0 FBADRP CO[C@H]1CC[NH+](CC(=O)N2CCN(C(=O)C[N@H+]3CC[C@H](OC)C3)CC2)C1 ZINC000533341902 485203423 /nfs/dbraw/zinc/20/34/23/485203423.db2.gz SJPQZEBGLDMSPU-HOTGVXAUSA-N 2 0 368.478 -0.901 20 0 FBADRP C[C@@H]1CN([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000534999965 483876426 /nfs/dbraw/zinc/87/64/26/483876426.db2.gz IOMUMDAUWJLMSY-BRWVUGGUSA-N 2 0 365.522 -0.367 20 0 FBADRP C[C@@H]1CN([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000534999966 483876333 /nfs/dbraw/zinc/87/63/33/483876333.db2.gz IOMUMDAUWJLMSY-IKGGRYGDSA-N 2 0 365.522 -0.367 20 0 FBADRP C[C@@H]1CN([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000534999967 483876460 /nfs/dbraw/zinc/87/64/60/483876460.db2.gz IOMUMDAUWJLMSY-IXDOHACOSA-N 2 0 365.522 -0.367 20 0 FBADRP C[C@@H]1CN([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000534999968 483876455 /nfs/dbraw/zinc/87/64/55/483876455.db2.gz IOMUMDAUWJLMSY-ZACQAIPSSA-N 2 0 365.522 -0.367 20 0 FBADRP C[NH+](CCCC[N@@H+](C)CC(=O)N1CCOCC1)CC(=O)N1CCOCC1 ZINC000535006257 483876483 /nfs/dbraw/zinc/87/64/83/483876483.db2.gz MMPHHKYCRKBLRA-UHFFFAOYSA-N 2 0 370.494 -0.652 20 0 FBADRP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)[C@H]2C[N@@H+]3CCN2CCC3)cc1 ZINC000535010884 483876740 /nfs/dbraw/zinc/87/67/40/483876740.db2.gz KWFPLZYVFIDPNJ-GOSISDBHSA-N 2 0 373.501 -0.016 20 0 FBADRP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)cc1 ZINC000535010885 483876881 /nfs/dbraw/zinc/87/68/81/483876881.db2.gz KWFPLZYVFIDPNJ-SFHVURJKSA-N 2 0 373.501 -0.016 20 0 FBADRP CC(C)C[C@H](NC(=O)NC[C@@H]1C[N@H+](C)CCN1C)C(=O)NCC[NH+](C)C ZINC000535428129 483896257 /nfs/dbraw/zinc/89/62/57/483896257.db2.gz ZJNZYNVTISZJPG-CVEARBPZSA-N 2 0 370.542 -0.376 20 0 FBADRP CC(C)C[C@H](NC(=O)NC[C@H]1C[N@H+](C)CCN1C)C(=O)NCC[NH+](C)C ZINC000535428130 483896060 /nfs/dbraw/zinc/89/60/60/483896060.db2.gz ZJNZYNVTISZJPG-HOTGVXAUSA-N 2 0 370.542 -0.376 20 0 FBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000535428235 483896320 /nfs/dbraw/zinc/89/63/20/483896320.db2.gz DOCZBQLVALCBQQ-INIZCTEOSA-N 2 0 354.543 -0.053 20 0 FBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000535428236 483896238 /nfs/dbraw/zinc/89/62/38/483896238.db2.gz DOCZBQLVALCBQQ-MRXNPFEDSA-N 2 0 354.543 -0.053 20 0 FBADRP C[NH+](C)C1CCN(CCNC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000535429736 483895618 /nfs/dbraw/zinc/89/56/18/483895618.db2.gz SJCZDOXBYAJZKZ-INIZCTEOSA-N 2 0 368.526 -0.349 20 0 FBADRP C[NH+](C)C1CCN(CCNC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000535429737 483895745 /nfs/dbraw/zinc/89/57/45/483895745.db2.gz SJCZDOXBYAJZKZ-MRXNPFEDSA-N 2 0 368.526 -0.349 20 0 FBADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CCC([N@H+](C)CCCO)CC2)CC1=O ZINC000535442137 483896137 /nfs/dbraw/zinc/89/61/37/483896137.db2.gz MKSKWKWLSLGFGE-HNNXBMFYSA-N 2 0 354.495 -0.298 20 0 FBADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCC([N@H+](C)CCCO)CC2)CC1=O ZINC000535442144 483896310 /nfs/dbraw/zinc/89/63/10/483896310.db2.gz MKSKWKWLSLGFGE-OAHLLOKOSA-N 2 0 354.495 -0.298 20 0 FBADRP COCC1(O)CC[NH+](CCOCC[NH+]2CCC(O)(COC)CC2)CC1 ZINC000536181678 484157410 /nfs/dbraw/zinc/15/74/10/484157410.db2.gz YTLGKKBKLVILNT-UHFFFAOYSA-N 2 0 360.495 -0.050 20 0 FBADRP COC(=O)C1CCN(C(=O)C[N@H+](C)CCCN2CC[NH+](C)CC2)CC1 ZINC000536475794 483839804 /nfs/dbraw/zinc/83/98/04/483839804.db2.gz QFVKPJNNRDGJRJ-UHFFFAOYSA-N 2 0 354.495 -0.033 20 0 FBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000536541427 484332145 /nfs/dbraw/zinc/33/21/45/484332145.db2.gz WWHYEWAHCWSDSO-INIZCTEOSA-N 2 0 351.495 -0.565 20 0 FBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000536541428 484330799 /nfs/dbraw/zinc/33/07/99/484330799.db2.gz WWHYEWAHCWSDSO-MRXNPFEDSA-N 2 0 351.495 -0.565 20 0 FBADRP CNc1nc(NC[C@@H]2CCC[NH+](C)C2)nc(NC[C@@H]2CCC[N@H+](C)C2)n1 ZINC000536986128 485232530 /nfs/dbraw/zinc/23/25/30/485232530.db2.gz OYEDOJGJHZUSBT-GJZGRUSLSA-N 2 0 362.526 -0.314 20 0 FBADRP CNc1nc(NC[C@H]2CCC[NH+](C)C2)nc(NC[C@H]2CCC[N@H+](C)C2)n1 ZINC000536986129 485232351 /nfs/dbraw/zinc/23/23/51/485232351.db2.gz OYEDOJGJHZUSBT-HUUCEWRRSA-N 2 0 362.526 -0.314 20 0 FBADRP CN(C)C(=O)c1cc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)cn1C ZINC000537031740 485240909 /nfs/dbraw/zinc/24/09/09/485240909.db2.gz DXRAVYCCDDXEDZ-UHFFFAOYSA-N 2 0 373.523 -0.159 20 0 FBADRP CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)O1 ZINC000537095375 485246351 /nfs/dbraw/zinc/24/63/51/485246351.db2.gz WFYZJQBLWLPCEM-CABCVRRESA-N 2 0 357.499 -0.243 20 0 FBADRP CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)O1 ZINC000537095376 485245949 /nfs/dbraw/zinc/24/59/49/485245949.db2.gz WFYZJQBLWLPCEM-GJZGRUSLSA-N 2 0 357.499 -0.243 20 0 FBADRP CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)O1 ZINC000537095377 485246330 /nfs/dbraw/zinc/24/63/30/485246330.db2.gz WFYZJQBLWLPCEM-HUUCEWRRSA-N 2 0 357.499 -0.243 20 0 FBADRP CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)O1 ZINC000537095378 485246293 /nfs/dbraw/zinc/24/62/93/485246293.db2.gz WFYZJQBLWLPCEM-LSDHHAIUSA-N 2 0 357.499 -0.243 20 0 FBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NCC(=O)N1CCOCC1 ZINC000537366578 485261397 /nfs/dbraw/zinc/26/13/97/485261397.db2.gz VSQFXVGZMBPWTA-UHFFFAOYSA-N 2 0 357.499 -0.240 20 0 FBADRP COC(=O)c1ccc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)cn1 ZINC000537644437 485271567 /nfs/dbraw/zinc/27/15/67/485271567.db2.gz WXQHOIMADRVYNI-UHFFFAOYSA-N 2 0 358.464 -0.018 20 0 FBADRP NS(=O)(=O)[C@H]1CCN(CC(=O)N2CCN(Cc3ccccc3)CC2)C1 ZINC000537860884 485274300 /nfs/dbraw/zinc/27/43/00/485274300.db2.gz QSFNNAKTSFKXLL-INIZCTEOSA-N 2 0 366.487 -0.306 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC(=O)N1CCOCC1 ZINC000538468935 484542456 /nfs/dbraw/zinc/54/24/56/484542456.db2.gz VPUKGOPRSAEHFF-INIZCTEOSA-N 2 0 369.510 -0.097 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC(=O)N1CCOCC1 ZINC000538468936 484542306 /nfs/dbraw/zinc/54/23/06/484542306.db2.gz VPUKGOPRSAEHFF-MRXNPFEDSA-N 2 0 369.510 -0.097 20 0 FBADRP COC(=O)C1(O)CC[NH+](CCCC[NH+]2CCC(O)(C(=O)OC)CC2)CC1 ZINC000538785109 484553703 /nfs/dbraw/zinc/55/37/03/484553703.db2.gz AKSOOQAQMSVPEV-UHFFFAOYSA-N 2 0 372.462 -0.234 20 0 FBADRP Cn1cc(C[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)c(=O)n(C)c1=O ZINC000539709510 484578972 /nfs/dbraw/zinc/57/89/72/484578972.db2.gz SCNXWFBYWNJQBV-UHFFFAOYSA-N 2 0 373.457 -0.335 20 0 FBADRP C[C@@H]1CN(CCOC2CCN(Cc3nc(N)nc(N)n3)CC2)C[C@H](C)O1 ZINC000540245325 484591612 /nfs/dbraw/zinc/59/16/12/484591612.db2.gz REWQFGIUXPEYHL-BETUJISGSA-N 2 0 365.482 -0.213 20 0 FBADRP COC(=O)CNC(=O)CN1CCC(OCCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000540245782 484592397 /nfs/dbraw/zinc/59/23/97/484592397.db2.gz YCOYDTFYGMPFOG-GASCZTMLSA-N 2 0 371.478 -0.134 20 0 FBADRP Cn1cc(CNC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c(=O)n(C)c1=O ZINC000540613919 484600876 /nfs/dbraw/zinc/60/08/76/484600876.db2.gz XZEYKSLNGKKYDO-IBGZPJMESA-N 2 0 358.442 -0.189 20 0 FBADRP CCOC(=O)[C@]1(COC)CCC[N@@H+]([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000540631535 484603711 /nfs/dbraw/zinc/60/37/11/484603711.db2.gz WFAKCCGFMZVHKI-KBXCAEBGSA-N 2 0 369.462 -0.033 20 0 FBADRP CCOC(=O)[C@@]1(COC)CCC[N@@H+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000540631539 484603954 /nfs/dbraw/zinc/60/39/54/484603954.db2.gz WFAKCCGFMZVHKI-KDOFPFPSSA-N 2 0 369.462 -0.033 20 0 FBADRP CCOC(=O)[C@@]1(COC)CCC[N@@H+]([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000540631541 484603741 /nfs/dbraw/zinc/60/37/41/484603741.db2.gz WFAKCCGFMZVHKI-KSSFIOAISA-N 2 0 369.462 -0.033 20 0 FBADRP CCOC(=O)[C@]1(COC)CCC[N@@H+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000540631543 484603407 /nfs/dbraw/zinc/60/34/07/484603407.db2.gz WFAKCCGFMZVHKI-RDTXWAMCSA-N 2 0 369.462 -0.033 20 0 FBADRP CN(C)S(=O)(=O)c1cc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)n(C)c1 ZINC000540922338 484609437 /nfs/dbraw/zinc/60/94/37/484609437.db2.gz IBKYFMBFGDNFEF-UHFFFAOYSA-N 2 0 373.523 -0.159 20 0 FBADRP C[NH+](C)C1CN(c2nc(N3CC([NH+](C)C)C3)nc(N3CCOCC3)n2)C1 ZINC000541579220 484626855 /nfs/dbraw/zinc/62/68/55/484626855.db2.gz YZKQDHQBOOWGSP-UHFFFAOYSA-N 2 0 362.482 -0.791 20 0 FBADRP CN(C)C(=O)CN1CCN(C(=O)CN2CCC3(CCC[N@@H+]3C)CC2)CC1 ZINC000542267234 484645222 /nfs/dbraw/zinc/64/52/22/484645222.db2.gz JCZJKXRKHKERCM-UHFFFAOYSA-N 2 0 365.522 -0.221 20 0 FBADRP C(C[NH+]1CCN2CCOC[C@H]2C1)OCC[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000542631317 484652255 /nfs/dbraw/zinc/65/22/55/484652255.db2.gz BCNGHMBMMIHOHG-QZTJIDSGSA-N 2 0 354.495 -0.964 20 0 FBADRP C(C[NH+]1CCN2CCOC[C@@H]2C1)OCC[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000542631319 484652485 /nfs/dbraw/zinc/65/24/85/484652485.db2.gz BCNGHMBMMIHOHG-ROUUACIJSA-N 2 0 354.495 -0.964 20 0 FBADRP COCC[N@H+](C)CCNC(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O ZINC000543039973 484665847 /nfs/dbraw/zinc/66/58/47/484665847.db2.gz DQQFWCHDJMJBBD-AWEZNQCLSA-N 2 0 366.466 -0.212 20 0 FBADRP COCC[N@H+](C)CCNC(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O ZINC000543039976 484666168 /nfs/dbraw/zinc/66/61/68/484666168.db2.gz DQQFWCHDJMJBBD-CQSZACIVSA-N 2 0 366.466 -0.212 20 0 FBADRP CN(C)S(=O)(=O)CC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000544226507 484690535 /nfs/dbraw/zinc/69/05/35/484690535.db2.gz IPOCOMYHTRCFSF-UHFFFAOYSA-N 2 0 369.491 -0.399 20 0 FBADRP CN1CCC([NH+]2CCC(NC(=O)NC[C@]3(O)CC[N@H+](C)C3)CC2)CC1 ZINC000545176447 484709014 /nfs/dbraw/zinc/70/90/14/484709014.db2.gz BSNZMEAHLUSSHC-GOSISDBHSA-N 2 0 353.511 -0.089 20 0 FBADRP CN1CCC([NH+]2CCC(NC(=O)NC[C@@]3(O)CC[N@H+](C)C3)CC2)CC1 ZINC000545176464 484708217 /nfs/dbraw/zinc/70/82/17/484708217.db2.gz BSNZMEAHLUSSHC-SFHVURJKSA-N 2 0 353.511 -0.089 20 0 FBADRP C[N@@H+]1CC[C@@](O)(CNC(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000545177193 484710771 /nfs/dbraw/zinc/71/07/71/484710771.db2.gz QSSZSKXSTQZIFI-GOSISDBHSA-N 2 0 362.478 -0.301 20 0 FBADRP C[N@@H+]1CC[C@](O)(CNC(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000545177194 484710400 /nfs/dbraw/zinc/71/04/00/484710400.db2.gz QSSZSKXSTQZIFI-SFHVURJKSA-N 2 0 362.478 -0.301 20 0 FBADRP CNc1nc(NCC2=CC[NH+](C)CC2)nc(NCC2=CC[N@H+](C)CC2)n1 ZINC000545473686 484720109 /nfs/dbraw/zinc/72/01/09/484720109.db2.gz PPTZGMFIRMZLHR-UHFFFAOYSA-N 2 0 358.494 -0.473 20 0 FBADRP C[N@@H+]1CC[C@@](O)(CNC(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C1 ZINC000545883782 484727121 /nfs/dbraw/zinc/72/71/21/484727121.db2.gz HYZBIMOUPAQMCS-GOSISDBHSA-N 2 0 362.478 -0.301 20 0 FBADRP C[N@@H+]1CC[C@](O)(CNC(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C1 ZINC000545883783 484726289 /nfs/dbraw/zinc/72/62/89/484726289.db2.gz HYZBIMOUPAQMCS-SFHVURJKSA-N 2 0 362.478 -0.301 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(=O)n2[nH]cnc2n1 ZINC000546088128 484732781 /nfs/dbraw/zinc/73/27/81/484732781.db2.gz YAFHZDGZLXXGGX-CYBMUJFWSA-N 2 0 361.450 -0.094 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(=O)n2[nH]cnc2n1 ZINC000546088129 484732922 /nfs/dbraw/zinc/73/29/22/484732922.db2.gz YAFHZDGZLXXGGX-ZDUSSCGKSA-N 2 0 361.450 -0.094 20 0 FBADRP CN(CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1)C1CC(O)C1 ZINC000546093743 484733178 /nfs/dbraw/zinc/73/31/78/484733178.db2.gz YUHNSEBGRFRARQ-UHFFFAOYSA-N 2 0 359.434 -0.533 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@]2(O)CC[NH+](C)C2)CC1=O ZINC000546588152 484742332 /nfs/dbraw/zinc/74/23/32/484742332.db2.gz IFIWKYURRDPJDD-DAYGRLMNSA-N 2 0 352.479 -0.498 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@]2(O)CC[NH+](C)C2)CC1=O ZINC000546588153 484743051 /nfs/dbraw/zinc/74/30/51/484743051.db2.gz IFIWKYURRDPJDD-HDMKZQKVSA-N 2 0 352.479 -0.498 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@]2(O)CC[NH+](C)C2)CC1=O ZINC000546588154 484743095 /nfs/dbraw/zinc/74/30/95/484743095.db2.gz IFIWKYURRDPJDD-IIDMSEBBSA-N 2 0 352.479 -0.498 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@]2(O)CC[NH+](C)C2)CC1=O ZINC000546588155 484742522 /nfs/dbraw/zinc/74/25/22/484742522.db2.gz IFIWKYURRDPJDD-RKVPGOIHSA-N 2 0 352.479 -0.498 20 0 FBADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)NC[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000547286793 484757336 /nfs/dbraw/zinc/75/73/36/484757336.db2.gz HHSCCUDKNBDABT-GOSISDBHSA-N 2 0 364.446 -0.252 20 0 FBADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)NC[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000547286794 484756525 /nfs/dbraw/zinc/75/65/25/484756525.db2.gz HHSCCUDKNBDABT-SFHVURJKSA-N 2 0 364.446 -0.252 20 0 FBADRP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000547293126 484758874 /nfs/dbraw/zinc/75/88/74/484758874.db2.gz NVLOIWSXVGDEID-GOSISDBHSA-N 2 0 364.446 -0.122 20 0 FBADRP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000547293127 484758982 /nfs/dbraw/zinc/75/89/82/484758982.db2.gz NVLOIWSXVGDEID-SFHVURJKSA-N 2 0 364.446 -0.122 20 0 FBADRP C[NH+](C)CCOc1cccc(NC(=O)C(=O)NC[C@]2(O)CC[N@H+](C)C2)c1 ZINC000547293290 484759106 /nfs/dbraw/zinc/75/91/06/484759106.db2.gz VGBOGSWMHFVHFY-GOSISDBHSA-N 2 0 364.446 -0.252 20 0 FBADRP C[NH+](C)CCOc1cccc(NC(=O)C(=O)NC[C@@]2(O)CC[N@H+](C)C2)c1 ZINC000547293291 484758542 /nfs/dbraw/zinc/75/85/42/484758542.db2.gz VGBOGSWMHFVHFY-SFHVURJKSA-N 2 0 364.446 -0.252 20 0 FBADRP C[N@@H+]1CC[C@@](O)(CNC(=O)NCc2cccnc2N2CC[NH+](C)CC2)C1 ZINC000547298655 484758313 /nfs/dbraw/zinc/75/83/13/484758313.db2.gz KCYASNWCRLMXMP-GOSISDBHSA-N 2 0 362.478 -0.301 20 0 FBADRP C[N@@H+]1CC[C@](O)(CNC(=O)NCc2cccnc2N2CC[NH+](C)CC2)C1 ZINC000547298656 484759270 /nfs/dbraw/zinc/75/92/70/484759270.db2.gz KCYASNWCRLMXMP-SFHVURJKSA-N 2 0 362.478 -0.301 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)CCCN1CCOCC1 ZINC000547327352 484760838 /nfs/dbraw/zinc/76/08/38/484760838.db2.gz QNGGEPLZVZGGES-UHFFFAOYSA-N 2 0 350.529 -0.536 20 0 FBADRP CN(C)S(=O)(=O)c1ccc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cn1 ZINC000548113595 484793590 /nfs/dbraw/zinc/79/35/90/484793590.db2.gz HGWHCJJEEVAUBA-UHFFFAOYSA-N 2 0 371.507 -0.103 20 0 FBADRP CNS(=O)(=O)c1ccc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cn1 ZINC000548441613 484809205 /nfs/dbraw/zinc/80/92/05/484809205.db2.gz DPUSNCGFIYNAAI-UHFFFAOYSA-N 2 0 357.480 -0.445 20 0 FBADRP Cc1nc(CCNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(C)o1 ZINC000548772758 484824875 /nfs/dbraw/zinc/82/48/75/484824875.db2.gz LNVTXURBWUVRJM-UHFFFAOYSA-N 2 0 353.467 -0.098 20 0 FBADRP CC1=CC[N@H+](CCNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000548813500 484826007 /nfs/dbraw/zinc/82/60/07/484826007.db2.gz ZKIKDJSPKJUYMB-UHFFFAOYSA-N 3 0 353.511 -0.294 20 0 FBADRP O=C1CC[C@H]([NH2+]CC(O)C[NH2+][C@H]2CCC(=O)NC23CCC3)C2(CCC2)N1 ZINC000549477376 484840702 /nfs/dbraw/zinc/84/07/02/484840702.db2.gz JSLXPUDETOOQOR-GJZGRUSLSA-N 2 0 364.490 -0.071 20 0 FBADRP O=C1CC[C@@H]([NH2+]CC(O)C[NH2+][C@@H]2CCC(=O)NC23CCC3)C2(CCC2)N1 ZINC000549477377 484840723 /nfs/dbraw/zinc/84/07/23/484840723.db2.gz JSLXPUDETOOQOR-HUUCEWRRSA-N 2 0 364.490 -0.071 20 0 FBADRP O=C1CC[C@@H]([NH2+]C[C@H](O)C[NH2+][C@H]2CCC(=O)NC23CCC3)C2(CCC2)N1 ZINC000549477378 484840528 /nfs/dbraw/zinc/84/05/28/484840528.db2.gz JSLXPUDETOOQOR-QDMKHBRRSA-N 2 0 364.490 -0.071 20 0 FBADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000549785702 484846897 /nfs/dbraw/zinc/84/68/97/484846897.db2.gz DWISJXKMSPJXPZ-SJORKVTESA-N 2 0 365.522 -0.176 20 0 FBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)N1CCOCC1 ZINC000549790682 484847224 /nfs/dbraw/zinc/84/72/24/484847224.db2.gz ASMMJOPEVAHWIZ-UHFFFAOYSA-N 2 0 361.446 -0.431 20 0 FBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000549791357 484847094 /nfs/dbraw/zinc/84/70/94/484847094.db2.gz VDMXTMQEKBGOJA-OAGGEKHMSA-N 2 0 352.479 -0.092 20 0 FBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000549791358 484846944 /nfs/dbraw/zinc/84/69/44/484846944.db2.gz VDMXTMQEKBGOJA-PMPSAXMXSA-N 2 0 352.479 -0.092 20 0 FBADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000549794803 484846211 /nfs/dbraw/zinc/84/62/11/484846211.db2.gz NWZDPSCAMMNAFF-CVEARBPZSA-N 2 0 352.479 -0.092 20 0 FBADRP CN(CCCNC(=O)CN1CC[C@@]2(C1)CCC[N@H+](C)C2)S(C)(=O)=O ZINC000549841704 484850063 /nfs/dbraw/zinc/85/00/63/484850063.db2.gz YGRKGWMNPRDODK-INIZCTEOSA-N 2 0 360.524 -0.198 20 0 FBADRP CN(CCCNC(=O)CN1CC[C@]2(C1)CCC[N@H+](C)C2)S(C)(=O)=O ZINC000549841706 484849862 /nfs/dbraw/zinc/84/98/62/484849862.db2.gz YGRKGWMNPRDODK-MRXNPFEDSA-N 2 0 360.524 -0.198 20 0 FBADRP CC[NH+](CC)CCNC(=O)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000549924588 484852552 /nfs/dbraw/zinc/85/25/52/484852552.db2.gz CRPRNWZAMDMRBL-UHFFFAOYSA-N 2 0 369.510 -0.497 20 0 FBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000549927928 484852821 /nfs/dbraw/zinc/85/28/21/484852821.db2.gz YETFMBSCKWLOIH-UHFFFAOYSA-N 2 0 369.510 -0.543 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000549970141 484854494 /nfs/dbraw/zinc/85/44/94/484854494.db2.gz FZGRBQQMPUQQCL-DLBZAZTESA-N 2 0 361.490 -0.233 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000549970146 484854820 /nfs/dbraw/zinc/85/48/20/484854820.db2.gz FZGRBQQMPUQQCL-IAGOWNOFSA-N 2 0 361.490 -0.233 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000549970147 484854262 /nfs/dbraw/zinc/85/42/62/484854262.db2.gz FZGRBQQMPUQQCL-IRXDYDNUSA-N 2 0 361.490 -0.233 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000549970148 484853868 /nfs/dbraw/zinc/85/38/68/484853868.db2.gz FZGRBQQMPUQQCL-SJORKVTESA-N 2 0 361.490 -0.233 20 0 FBADRP CC[NH+](CC(=O)N1CCN(C(=O)C[N@@H+](CC)[C@@H](C)CO)CC1)[C@@H](C)CO ZINC000549977605 484854785 /nfs/dbraw/zinc/85/47/85/484854785.db2.gz RTEJNDHVUBXAMZ-HOTGVXAUSA-N 2 0 372.510 -0.937 20 0 FBADRP CC(C)[NH+]1CCC(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000549978767 484854566 /nfs/dbraw/zinc/85/45/66/484854566.db2.gz HMTOVRZGUCQDTM-UHFFFAOYSA-N 3 0 355.527 -0.073 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCn1ncn(C)c1=O ZINC000550008784 484855290 /nfs/dbraw/zinc/85/52/90/484855290.db2.gz HXUGHNANDSAFAJ-HNNXBMFYSA-N 2 0 352.483 -0.154 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCn1ncn(C)c1=O ZINC000550008785 484855656 /nfs/dbraw/zinc/85/56/56/484855656.db2.gz HXUGHNANDSAFAJ-OAHLLOKOSA-N 2 0 352.483 -0.154 20 0 FBADRP CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)CC1 ZINC000550032821 484856341 /nfs/dbraw/zinc/85/63/41/484856341.db2.gz YKKRZEONUKNISQ-KRWDZBQOSA-N 2 0 367.538 -0.025 20 0 FBADRP CC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)CC1 ZINC000550032823 484856171 /nfs/dbraw/zinc/85/61/71/484856171.db2.gz YKKRZEONUKNISQ-QGZVFWFLSA-N 2 0 367.538 -0.025 20 0 FBADRP CC[NH+]1CCC(NC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000550040627 484855952 /nfs/dbraw/zinc/85/59/52/484855952.db2.gz DGVUUXOELDFOKI-UHFFFAOYSA-N 2 0 353.511 -0.271 20 0 FBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)NCc1cc[nH]n1 ZINC000550183496 484861648 /nfs/dbraw/zinc/86/16/48/484861648.db2.gz HKUYTRHRHTWDSZ-UHFFFAOYSA-N 2 0 371.445 -0.251 20 0 FBADRP COc1ccc(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cn1 ZINC000550187647 484863197 /nfs/dbraw/zinc/86/31/97/484863197.db2.gz GTPPUSXIPKGMCJ-UHFFFAOYSA-N 2 0 351.451 -0.342 20 0 FBADRP Cc1cc(C)c(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(=O)[nH]1 ZINC000550195993 484864745 /nfs/dbraw/zinc/86/47/45/484864745.db2.gz DQXDEXJIAYSDRB-UHFFFAOYSA-N 2 0 365.478 -0.028 20 0 FBADRP C[NH+](C)CCNC(=O)C1CC[NH+](C[C@H](O)COC[C@H]2CCCO2)CC1 ZINC000550198162 484864559 /nfs/dbraw/zinc/86/45/59/484864559.db2.gz TYXXWQJZTPZTAI-DLBZAZTESA-N 2 0 357.495 -0.067 20 0 FBADRP C[NH+](C)CCNC(=O)C1CC[NH+](C[C@@H](O)COC[C@H]2CCCO2)CC1 ZINC000550198164 484865063 /nfs/dbraw/zinc/86/50/63/484865063.db2.gz TYXXWQJZTPZTAI-IAGOWNOFSA-N 2 0 357.495 -0.067 20 0 FBADRP C[NH+](C)CCNC(=O)C1CC[NH+](C[C@H](O)COC[C@@H]2CCCO2)CC1 ZINC000550198165 484864312 /nfs/dbraw/zinc/86/43/12/484864312.db2.gz TYXXWQJZTPZTAI-IRXDYDNUSA-N 2 0 357.495 -0.067 20 0 FBADRP C[NH+](C)CCNC(=O)C1CC[NH+](C[C@@H](O)COC[C@@H]2CCCO2)CC1 ZINC000550198166 484865077 /nfs/dbraw/zinc/86/50/77/484865077.db2.gz TYXXWQJZTPZTAI-SJORKVTESA-N 2 0 357.495 -0.067 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccc2c(c1)OCO2 ZINC000550219683 484864497 /nfs/dbraw/zinc/86/44/97/484864497.db2.gz YKLNXNARMXBQOL-UHFFFAOYSA-N 2 0 364.446 -0.017 20 0 FBADRP CN(CC[NH+](C)C)C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000550295041 484869474 /nfs/dbraw/zinc/86/94/74/484869474.db2.gz QXXDTRHQFJBQAG-UHFFFAOYSA-N 2 0 362.478 -0.530 20 0 FBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000550311907 484870860 /nfs/dbraw/zinc/87/08/60/484870860.db2.gz KIDMQCVZZVVUHX-INIZCTEOSA-N 2 0 353.511 -0.317 20 0 FBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000550311909 484870322 /nfs/dbraw/zinc/87/03/22/484870322.db2.gz KIDMQCVZZVVUHX-MRXNPFEDSA-N 2 0 353.511 -0.317 20 0 FBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000550327573 484870356 /nfs/dbraw/zinc/87/03/56/484870356.db2.gz KFDNJVSLAOAMCC-UHFFFAOYSA-N 2 0 367.494 -0.789 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000550349432 484871712 /nfs/dbraw/zinc/87/17/12/484871712.db2.gz PQKWEVIDRXAUEV-HNNXBMFYSA-N 2 0 353.511 -0.271 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000550349433 484871786 /nfs/dbraw/zinc/87/17/86/484871786.db2.gz PQKWEVIDRXAUEV-OAHLLOKOSA-N 2 0 353.511 -0.271 20 0 FBADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000550372476 484874619 /nfs/dbraw/zinc/87/46/19/484874619.db2.gz RLORYJYYUCCJJY-UHFFFAOYSA-N 2 0 353.511 -0.319 20 0 FBADRP C[NH+]1CCC(NC(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000550372485 484874222 /nfs/dbraw/zinc/87/42/22/484874222.db2.gz LPCUWJMDWQNEPI-UHFFFAOYSA-N 2 0 352.479 -0.042 20 0 FBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NC2CC[NH+](C)CC2)CC1 ZINC000550372613 484874511 /nfs/dbraw/zinc/87/45/11/484874511.db2.gz UZUOUASXPSTFHU-UHFFFAOYSA-N 2 0 361.446 -0.051 20 0 FBADRP C[NH+]1CCC(NC(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000550374934 484874589 /nfs/dbraw/zinc/87/45/89/484874589.db2.gz BOTANWJMAYOUBH-UHFFFAOYSA-N 2 0 374.489 -0.340 20 0 FBADRP CC(C)[C@H](CNC(=O)C(=O)NCC[N@H+](C)C1CC1)N1CC[NH+](C)CC1 ZINC000550382979 484876056 /nfs/dbraw/zinc/87/60/56/484876056.db2.gz AXXWIEOUCNBCLD-INIZCTEOSA-N 2 0 353.511 -0.415 20 0 FBADRP CC(C)[C@@H](CNC(=O)C(=O)NCC[N@H+](C)C1CC1)N1CC[NH+](C)CC1 ZINC000550382980 484876024 /nfs/dbraw/zinc/87/60/24/484876024.db2.gz AXXWIEOUCNBCLD-MRXNPFEDSA-N 2 0 353.511 -0.415 20 0 FBADRP CC(C)[C@H](CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC1)N1CC[NH+](C)CC1 ZINC000550383400 484875658 /nfs/dbraw/zinc/87/56/58/484875658.db2.gz IUYHGUUWUJKSMX-KRWDZBQOSA-N 2 0 367.538 -0.073 20 0 FBADRP CC(C)[C@@H](CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC1)N1CC[NH+](C)CC1 ZINC000550383401 484874907 /nfs/dbraw/zinc/87/49/07/484874907.db2.gz IUYHGUUWUJKSMX-QGZVFWFLSA-N 2 0 367.538 -0.073 20 0 FBADRP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC000550384121 484875933 /nfs/dbraw/zinc/87/59/33/484875933.db2.gz ZPQBIXGQMAZZLQ-BBWFWOEESA-N 2 0 367.538 -0.027 20 0 FBADRP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1)N1CC[NH+](C)CC1 ZINC000550384122 484875806 /nfs/dbraw/zinc/87/58/06/484875806.db2.gz ZPQBIXGQMAZZLQ-IKGGRYGDSA-N 2 0 367.538 -0.027 20 0 FBADRP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC000550384123 484875909 /nfs/dbraw/zinc/87/59/09/484875909.db2.gz ZPQBIXGQMAZZLQ-ULQDDVLXSA-N 2 0 367.538 -0.027 20 0 FBADRP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)N1CC[NH+](C)CC1 ZINC000550384124 484875850 /nfs/dbraw/zinc/87/58/50/484875850.db2.gz ZPQBIXGQMAZZLQ-ZACQAIPSSA-N 2 0 367.538 -0.027 20 0 FBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NC2CC[NH+](CC)CC2)CC1 ZINC000550410260 484875726 /nfs/dbraw/zinc/87/57/26/484875726.db2.gz RCUKMBHINKRMTF-INIZCTEOSA-N 2 0 367.538 -0.023 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NC2CC[NH+](CC)CC2)CC1 ZINC000550410261 484876169 /nfs/dbraw/zinc/87/61/69/484876169.db2.gz RCUKMBHINKRMTF-MRXNPFEDSA-N 2 0 367.538 -0.023 20 0 FBADRP CCOCCNC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000550437306 484877664 /nfs/dbraw/zinc/87/76/64/484877664.db2.gz XTUMHYPJIMPSHB-UHFFFAOYSA-N 2 0 363.462 -0.137 20 0 FBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000550456153 484878192 /nfs/dbraw/zinc/87/81/92/484878192.db2.gz HKNVQLDZIYBFPR-CVEARBPZSA-N 2 0 370.494 -0.704 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000550456158 484878482 /nfs/dbraw/zinc/87/84/82/484878482.db2.gz HKNVQLDZIYBFPR-HOTGVXAUSA-N 2 0 370.494 -0.704 20 0 FBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000550456160 484879084 /nfs/dbraw/zinc/87/90/84/484879084.db2.gz HKNVQLDZIYBFPR-HZPDHXFCSA-N 2 0 370.494 -0.704 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000550456162 484879349 /nfs/dbraw/zinc/87/93/49/484879349.db2.gz HKNVQLDZIYBFPR-JKSUJKDBSA-N 2 0 370.494 -0.704 20 0 FBADRP CC1CC[NH+](CCCNC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)CC1 ZINC000550464523 659017795 /nfs/dbraw/zinc/01/77/95/659017795.db2.gz WCNHDUIBGJZQMV-INIZCTEOSA-N 2 0 353.511 -0.413 20 0 FBADRP CC1CC[NH+](CCCNC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC000550464524 659017618 /nfs/dbraw/zinc/01/76/18/659017618.db2.gz WCNHDUIBGJZQMV-MRXNPFEDSA-N 2 0 353.511 -0.413 20 0 FBADRP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000550479550 659021882 /nfs/dbraw/zinc/02/18/82/659021882.db2.gz MFCQTHRBPKDPHI-HNNXBMFYSA-N 2 0 353.511 -0.319 20 0 FBADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000550479551 659021520 /nfs/dbraw/zinc/02/15/20/659021520.db2.gz MFCQTHRBPKDPHI-OAHLLOKOSA-N 2 0 353.511 -0.319 20 0 FBADRP CC[N@@H+]1CCCN(C(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000550515316 484883204 /nfs/dbraw/zinc/88/32/04/484883204.db2.gz WIADEOPGYJWIOZ-UHFFFAOYSA-N 2 0 353.511 -0.317 20 0 FBADRP CCC[NH+]1CCC(NC(=O)C(=O)N2CCC([N@H+](C)CCO)CC2)CC1 ZINC000550518258 484882589 /nfs/dbraw/zinc/88/25/89/484882589.db2.gz XOBWJBQIIKGZCY-UHFFFAOYSA-N 2 0 354.495 -0.108 20 0 FBADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)C1 ZINC000550519851 484882624 /nfs/dbraw/zinc/88/26/24/484882624.db2.gz BONGFGVJIOGPGT-INIZCTEOSA-N 2 0 367.538 -0.071 20 0 FBADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)C1 ZINC000550519852 484883337 /nfs/dbraw/zinc/88/33/37/484883337.db2.gz BONGFGVJIOGPGT-MRXNPFEDSA-N 2 0 367.538 -0.071 20 0 FBADRP CC[N@H+](CCNC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1)C1CC1 ZINC000550552346 484885292 /nfs/dbraw/zinc/88/52/92/484885292.db2.gz UFQDMCSPNHBPRH-UHFFFAOYSA-N 2 0 353.511 -0.271 20 0 FBADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000550553908 484883919 /nfs/dbraw/zinc/88/39/19/484883919.db2.gz GQFUQWAXHDYFGQ-HNNXBMFYSA-N 2 0 351.495 -0.519 20 0 FBADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000550553913 484885011 /nfs/dbraw/zinc/88/50/11/484885011.db2.gz GQFUQWAXHDYFGQ-OAHLLOKOSA-N 2 0 351.495 -0.519 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000550562724 484885122 /nfs/dbraw/zinc/88/51/22/484885122.db2.gz BZQQAHDUHHNOMO-KRWDZBQOSA-N 2 0 365.522 -0.128 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000550562725 484884327 /nfs/dbraw/zinc/88/43/27/484884327.db2.gz BZQQAHDUHHNOMO-QGZVFWFLSA-N 2 0 365.522 -0.128 20 0 FBADRP CC1CC[NH+](CCNC(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)CC1 ZINC000550628200 484886239 /nfs/dbraw/zinc/88/62/39/484886239.db2.gz GUXUBNHMQGXRPK-UHFFFAOYSA-N 2 0 367.538 -0.022 20 0 FBADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000550652510 484888039 /nfs/dbraw/zinc/88/80/39/484888039.db2.gz LKOWQEJTQWSMIO-INIZCTEOSA-N 3 0 355.527 -0.214 20 0 FBADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000550652511 484887889 /nfs/dbraw/zinc/88/78/89/484887889.db2.gz LKOWQEJTQWSMIO-MRXNPFEDSA-N 3 0 355.527 -0.214 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCc1cn2ccccc2n1 ZINC000550685395 484891019 /nfs/dbraw/zinc/89/10/19/484891019.db2.gz MSZXKQGTFPBWEB-UHFFFAOYSA-N 2 0 374.489 -0.055 20 0 FBADRP C[C@@H](CNC(=O)C(=O)NCCCC[NH+]1CCN(C)CC1)[N@H+](C)C1CC1 ZINC000550782849 484897390 /nfs/dbraw/zinc/89/73/90/484897390.db2.gz AOEJJXYZSBJUTB-HNNXBMFYSA-N 2 0 353.511 -0.271 20 0 FBADRP C[C@H](CNC(=O)C(=O)NCCCC[NH+]1CCN(C)CC1)[N@H+](C)C1CC1 ZINC000550782851 484896928 /nfs/dbraw/zinc/89/69/28/484896928.db2.gz AOEJJXYZSBJUTB-OAHLLOKOSA-N 2 0 353.511 -0.271 20 0 FBADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000550783057 484898754 /nfs/dbraw/zinc/89/87/54/484898754.db2.gz YPMINURUKBOICX-INIZCTEOSA-N 2 0 365.522 -0.127 20 0 FBADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000550783058 484897249 /nfs/dbraw/zinc/89/72/49/484897249.db2.gz YPMINURUKBOICX-MRXNPFEDSA-N 2 0 365.522 -0.127 20 0 FBADRP C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)NC[C@@H]2C[NH+](C)CCN2C)C1 ZINC000550785406 484897344 /nfs/dbraw/zinc/89/73/44/484897344.db2.gz SNZDCXVHLIEZGW-DLBZAZTESA-N 2 0 367.538 -0.023 20 0 FBADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)NC[C@@H]2C[NH+](C)CCN2C)C1 ZINC000550785407 484898835 /nfs/dbraw/zinc/89/88/35/484898835.db2.gz SNZDCXVHLIEZGW-IAGOWNOFSA-N 2 0 367.538 -0.023 20 0 FBADRP C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)NC[C@H]2C[NH+](C)CCN2C)C1 ZINC000550785408 484897920 /nfs/dbraw/zinc/89/79/20/484897920.db2.gz SNZDCXVHLIEZGW-IRXDYDNUSA-N 2 0 367.538 -0.023 20 0 FBADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)NC[C@H]2C[NH+](C)CCN2C)C1 ZINC000550785409 484897714 /nfs/dbraw/zinc/89/77/14/484897714.db2.gz SNZDCXVHLIEZGW-SJORKVTESA-N 2 0 367.538 -0.023 20 0 FBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000550831380 484901288 /nfs/dbraw/zinc/90/12/88/484901288.db2.gz VMHVGAYMEOWSFE-INIZCTEOSA-N 2 0 360.524 -0.424 20 0 FBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000550831381 484902067 /nfs/dbraw/zinc/90/20/67/484902067.db2.gz VMHVGAYMEOWSFE-MRXNPFEDSA-N 2 0 360.524 -0.424 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)C1 ZINC000550835382 484902901 /nfs/dbraw/zinc/90/29/01/484902901.db2.gz IXILCJOLRSHCIW-BBRMVZONSA-N 2 0 358.508 -0.623 20 0 FBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)C1 ZINC000550835388 484903231 /nfs/dbraw/zinc/90/32/31/484903231.db2.gz IXILCJOLRSHCIW-CJNGLKHVSA-N 2 0 358.508 -0.623 20 0 FBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000550835390 484900811 /nfs/dbraw/zinc/90/08/11/484900811.db2.gz IXILCJOLRSHCIW-CZUORRHYSA-N 2 0 358.508 -0.623 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000550835391 484903070 /nfs/dbraw/zinc/90/30/70/484903070.db2.gz IXILCJOLRSHCIW-XJKSGUPXSA-N 2 0 358.508 -0.623 20 0 FBADRP CN(C(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000550877722 484904909 /nfs/dbraw/zinc/90/49/09/484904909.db2.gz UWSXHVLKGHBTEQ-KRWDZBQOSA-N 2 0 365.522 -0.176 20 0 FBADRP CN(C(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000550877723 484904814 /nfs/dbraw/zinc/90/48/14/484904814.db2.gz UWSXHVLKGHBTEQ-QGZVFWFLSA-N 2 0 365.522 -0.176 20 0 FBADRP CC[NH+]1CCC(NC(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000550879337 484904787 /nfs/dbraw/zinc/90/47/87/484904787.db2.gz VSNJQJIHLWHFSQ-UHFFFAOYSA-N 2 0 353.511 -0.271 20 0 FBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000550880171 484906290 /nfs/dbraw/zinc/90/62/90/484906290.db2.gz IZKILPWOJXBLAO-UHFFFAOYSA-N 2 0 353.511 -0.319 20 0 FBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000550903858 484908411 /nfs/dbraw/zinc/90/84/11/484908411.db2.gz KOHMQCXPUFTBSE-GDBMZVCRSA-N 2 0 352.479 -0.186 20 0 FBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000550903859 484908098 /nfs/dbraw/zinc/90/80/98/484908098.db2.gz KOHMQCXPUFTBSE-GOEBONIOSA-N 2 0 352.479 -0.186 20 0 FBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000550903860 484907559 /nfs/dbraw/zinc/90/75/59/484907559.db2.gz KOHMQCXPUFTBSE-HOCLYGCPSA-N 2 0 352.479 -0.186 20 0 FBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000550903861 484907671 /nfs/dbraw/zinc/90/76/71/484907671.db2.gz KOHMQCXPUFTBSE-ZBFHGGJFSA-N 2 0 352.479 -0.186 20 0 FBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)CC1(C)C ZINC000550904239 484908154 /nfs/dbraw/zinc/90/81/54/484908154.db2.gz SKLUMNXLPIGHND-HNNXBMFYSA-N 2 0 365.522 -0.271 20 0 FBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)NC[C@H]2CC[NH+](C3CC3)C2)CC1(C)C ZINC000550904240 484908013 /nfs/dbraw/zinc/90/80/13/484908013.db2.gz SKLUMNXLPIGHND-OAHLLOKOSA-N 2 0 365.522 -0.271 20 0 FBADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N(C)CCCN2CC[NH+](C)CC2)C1 ZINC000551014277 484911162 /nfs/dbraw/zinc/91/11/62/484911162.db2.gz RBVRRNDECRCAMD-KRWDZBQOSA-N 2 0 367.538 -0.070 20 0 FBADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N(C)CCCN2CC[NH+](C)CC2)C1 ZINC000551014278 484911979 /nfs/dbraw/zinc/91/19/79/484911979.db2.gz RBVRRNDECRCAMD-QGZVFWFLSA-N 2 0 367.538 -0.070 20 0 FBADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)C1 ZINC000551040662 484912434 /nfs/dbraw/zinc/91/24/34/484912434.db2.gz PSHSFFXRICYHEB-KRWDZBQOSA-N 2 0 367.538 -0.022 20 0 FBADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)C1 ZINC000551040663 484913029 /nfs/dbraw/zinc/91/30/29/484913029.db2.gz PSHSFFXRICYHEB-QGZVFWFLSA-N 2 0 367.538 -0.022 20 0 FBADRP C[C@H](CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)C[NH+](C)C ZINC000551041513 484117923 /nfs/dbraw/zinc/11/79/23/484117923.db2.gz XHAIUMMFKUAKET-CYBMUJFWSA-N 2 0 350.467 0.402 20 0 FBADRP C[C@@H](CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)C[NH+](C)C ZINC000551041520 484475529 /nfs/dbraw/zinc/47/55/29/484475529.db2.gz XHAIUMMFKUAKET-ZDUSSCGKSA-N 2 0 350.467 0.402 20 0 FBADRP CN(C)c1ncccc1CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000551045395 484914614 /nfs/dbraw/zinc/91/46/14/484914614.db2.gz ODQQFKFOPYVXLD-UHFFFAOYSA-N 2 0 364.494 -0.284 20 0 FBADRP Cc1nn(C)c(C)c1CCNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000551067569 484916490 /nfs/dbraw/zinc/91/64/90/484916490.db2.gz YTSAPEVLVLQFRT-UHFFFAOYSA-N 2 0 366.510 -0.353 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cn(C)nn1 ZINC000551100656 484917600 /nfs/dbraw/zinc/91/76/00/484917600.db2.gz POCZJEDHTYSWGM-CYBMUJFWSA-N 2 0 351.455 -0.372 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cn(C)nn1 ZINC000551100657 484918270 /nfs/dbraw/zinc/91/82/70/484918270.db2.gz POCZJEDHTYSWGM-ZDUSSCGKSA-N 2 0 351.455 -0.372 20 0 FBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000551112559 484918659 /nfs/dbraw/zinc/91/86/59/484918659.db2.gz UZYTXLONGIWJSU-DLBZAZTESA-N 2 0 367.538 -0.071 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000551112560 484918383 /nfs/dbraw/zinc/91/83/83/484918383.db2.gz UZYTXLONGIWJSU-IAGOWNOFSA-N 2 0 367.538 -0.071 20 0 FBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000551112561 484918113 /nfs/dbraw/zinc/91/81/13/484918113.db2.gz UZYTXLONGIWJSU-IRXDYDNUSA-N 2 0 367.538 -0.071 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000551112562 484918586 /nfs/dbraw/zinc/91/85/86/484918586.db2.gz UZYTXLONGIWJSU-SJORKVTESA-N 2 0 367.538 -0.071 20 0 FBADRP CC1CC[NH+](CCCCNC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)CC1 ZINC000551120817 484917703 /nfs/dbraw/zinc/91/77/03/484917703.db2.gz LNHCDTUOCYOTRA-KRWDZBQOSA-N 2 0 367.538 -0.023 20 0 FBADRP CC1CC[NH+](CCCCNC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC000551120818 484918249 /nfs/dbraw/zinc/91/82/49/484918249.db2.gz LNHCDTUOCYOTRA-QGZVFWFLSA-N 2 0 367.538 -0.023 20 0 FBADRP CC[N@@H+]1CCCN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000551121651 484918519 /nfs/dbraw/zinc/91/85/19/484918519.db2.gz IWVWNUYVNBVEDG-INIZCTEOSA-N 2 0 353.511 -0.460 20 0 FBADRP CC[N@@H+]1CCCN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000551121652 484918031 /nfs/dbraw/zinc/91/80/31/484918031.db2.gz IWVWNUYVNBVEDG-MRXNPFEDSA-N 2 0 353.511 -0.460 20 0 FBADRP C[C@H](CNC(=O)C(=O)N1CC[N@H+](C)CC[C@@H]1C)C[NH+]1CCN(C)CC1 ZINC000551123073 484920385 /nfs/dbraw/zinc/92/03/85/484920385.db2.gz WTYQHRUQJKCSAE-CVEARBPZSA-N 2 0 353.511 -0.461 20 0 FBADRP C[C@@H](CNC(=O)C(=O)N1CC[N@H+](C)CC[C@@H]1C)C[NH+]1CCN(C)CC1 ZINC000551123074 484919810 /nfs/dbraw/zinc/91/98/10/484919810.db2.gz WTYQHRUQJKCSAE-HOTGVXAUSA-N 2 0 353.511 -0.461 20 0 FBADRP C[C@H](CNC(=O)C(=O)N1CC[N@H+](C)CC[C@H]1C)C[NH+]1CCN(C)CC1 ZINC000551123075 484920774 /nfs/dbraw/zinc/92/07/74/484920774.db2.gz WTYQHRUQJKCSAE-HZPDHXFCSA-N 2 0 353.511 -0.461 20 0 FBADRP C[C@@H](CNC(=O)C(=O)N1CC[N@H+](C)CC[C@H]1C)C[NH+]1CCN(C)CC1 ZINC000551123076 484920539 /nfs/dbraw/zinc/92/05/39/484920539.db2.gz WTYQHRUQJKCSAE-JKSUJKDBSA-N 2 0 353.511 -0.461 20 0 FBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000551126591 484920632 /nfs/dbraw/zinc/92/06/32/484920632.db2.gz XSROSGHHJPOPLF-INIZCTEOSA-N 2 0 355.527 -0.215 20 0 FBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000551126592 484920674 /nfs/dbraw/zinc/92/06/74/484920674.db2.gz XSROSGHHJPOPLF-MRXNPFEDSA-N 2 0 355.527 -0.215 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000551136901 484919560 /nfs/dbraw/zinc/91/95/60/484919560.db2.gz RDHQPQAMUJRBHQ-CVEARBPZSA-N 2 0 365.522 -0.271 20 0 FBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000551136902 484920510 /nfs/dbraw/zinc/92/05/10/484920510.db2.gz RDHQPQAMUJRBHQ-HOTGVXAUSA-N 2 0 365.522 -0.271 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000551136903 484920128 /nfs/dbraw/zinc/92/01/28/484920128.db2.gz RDHQPQAMUJRBHQ-HZPDHXFCSA-N 2 0 365.522 -0.271 20 0 FBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000551136904 484919931 /nfs/dbraw/zinc/91/99/31/484919931.db2.gz RDHQPQAMUJRBHQ-JKSUJKDBSA-N 2 0 365.522 -0.271 20 0 FBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000551139868 484919632 /nfs/dbraw/zinc/91/96/32/484919632.db2.gz JKAGWAQIPWXGPR-DLBZAZTESA-N 2 0 365.522 -0.175 20 0 FBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000551139869 484920721 /nfs/dbraw/zinc/92/07/21/484920721.db2.gz JKAGWAQIPWXGPR-IAGOWNOFSA-N 2 0 365.522 -0.175 20 0 FBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000551139870 484920170 /nfs/dbraw/zinc/92/01/70/484920170.db2.gz JKAGWAQIPWXGPR-IRXDYDNUSA-N 2 0 365.522 -0.175 20 0 FBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000551139871 484922502 /nfs/dbraw/zinc/92/25/02/484922502.db2.gz JKAGWAQIPWXGPR-SJORKVTESA-N 2 0 365.522 -0.175 20 0 FBADRP COCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000551140036 484921861 /nfs/dbraw/zinc/92/18/61/484921861.db2.gz MBYMHWXFXIKKNY-CVEARBPZSA-N 2 0 352.479 -0.044 20 0 FBADRP COCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000551140037 484922344 /nfs/dbraw/zinc/92/23/44/484922344.db2.gz MBYMHWXFXIKKNY-HOTGVXAUSA-N 2 0 352.479 -0.044 20 0 FBADRP COCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000551140038 484921912 /nfs/dbraw/zinc/92/19/12/484921912.db2.gz MBYMHWXFXIKKNY-HZPDHXFCSA-N 2 0 352.479 -0.044 20 0 FBADRP COCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000551140039 484921691 /nfs/dbraw/zinc/92/16/91/484921691.db2.gz MBYMHWXFXIKKNY-JKSUJKDBSA-N 2 0 352.479 -0.044 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1cccc(C(N)=O)c1 ZINC000551141244 484921621 /nfs/dbraw/zinc/92/16/21/484921621.db2.gz ANYXEGMZKFGMQO-UHFFFAOYSA-N 2 0 363.462 -0.647 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NC[C@H](C)[N@H+](C)C2CC2)CC1 ZINC000551151733 484922057 /nfs/dbraw/zinc/92/20/57/484922057.db2.gz MDTZXVYRUHJYQZ-CVEARBPZSA-N 2 0 367.538 -0.025 20 0 FBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NC[C@H](C)[N@H+](C)C2CC2)CC1 ZINC000551151734 484921248 /nfs/dbraw/zinc/92/12/48/484921248.db2.gz MDTZXVYRUHJYQZ-HOTGVXAUSA-N 2 0 367.538 -0.025 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NC[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC000551151735 484922173 /nfs/dbraw/zinc/92/21/73/484922173.db2.gz MDTZXVYRUHJYQZ-HZPDHXFCSA-N 2 0 367.538 -0.025 20 0 FBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NC[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC000551151736 484921392 /nfs/dbraw/zinc/92/13/92/484921392.db2.gz MDTZXVYRUHJYQZ-JKSUJKDBSA-N 2 0 367.538 -0.025 20 0 FBADRP O=C(NCCCC[NH+]1CCOCC1)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000551159445 484923254 /nfs/dbraw/zinc/92/32/54/484923254.db2.gz PBIKGKSLUWBGEO-INIZCTEOSA-N 2 0 352.479 -0.088 20 0 FBADRP O=C(NCCCC[NH+]1CCOCC1)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000551159446 484924205 /nfs/dbraw/zinc/92/42/05/484924205.db2.gz PBIKGKSLUWBGEO-MRXNPFEDSA-N 2 0 352.479 -0.088 20 0 FBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000551162603 484923729 /nfs/dbraw/zinc/92/37/29/484923729.db2.gz HIBSUAPRCIGDEP-UHFFFAOYSA-N 2 0 355.527 -0.071 20 0 FBADRP C[C@@H]1C[C@H](NC(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)C[N@@H+]1C1CC1 ZINC000551162940 484924247 /nfs/dbraw/zinc/92/42/47/484924247.db2.gz ASRCBPRYUOKRDM-CVEARBPZSA-N 2 0 365.522 -0.128 20 0 FBADRP C[C@H]1C[C@H](NC(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)C[N@@H+]1C1CC1 ZINC000551162942 484924510 /nfs/dbraw/zinc/92/45/10/484924510.db2.gz ASRCBPRYUOKRDM-HOTGVXAUSA-N 2 0 365.522 -0.128 20 0 FBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)C[N@@H+]1C1CC1 ZINC000551162944 484923007 /nfs/dbraw/zinc/92/30/07/484923007.db2.gz ASRCBPRYUOKRDM-HZPDHXFCSA-N 2 0 365.522 -0.128 20 0 FBADRP C[C@H]1C[C@@H](NC(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)C[N@@H+]1C1CC1 ZINC000551162947 484924116 /nfs/dbraw/zinc/92/41/16/484924116.db2.gz ASRCBPRYUOKRDM-JKSUJKDBSA-N 2 0 365.522 -0.128 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000551163392 484924325 /nfs/dbraw/zinc/92/43/25/484924325.db2.gz FKFYVJZDJZVREU-HNNXBMFYSA-N 2 0 356.467 -0.948 20 0 FBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000551163396 484924190 /nfs/dbraw/zinc/92/41/90/484924190.db2.gz FKFYVJZDJZVREU-OAHLLOKOSA-N 2 0 356.467 -0.948 20 0 FBADRP O=C(NCCCC[NH+]1CCOCC1)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000551165023 484923362 /nfs/dbraw/zinc/92/33/62/484923362.db2.gz QRVUMSXNROKPGN-HNNXBMFYSA-N 2 0 352.479 -0.185 20 0 FBADRP O=C(NCCCC[NH+]1CCOCC1)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000551165024 484924275 /nfs/dbraw/zinc/92/42/75/484924275.db2.gz QRVUMSXNROKPGN-OAHLLOKOSA-N 2 0 352.479 -0.185 20 0 FBADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000551166161 484923122 /nfs/dbraw/zinc/92/31/22/484923122.db2.gz KCJIIUWOXUYFLD-DOTOQJQBSA-N 2 0 365.522 -0.271 20 0 FBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000551166162 484923791 /nfs/dbraw/zinc/92/37/91/484923791.db2.gz KCJIIUWOXUYFLD-NVXWUHKLSA-N 2 0 365.522 -0.271 20 0 FBADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000551166163 484923975 /nfs/dbraw/zinc/92/39/75/484923975.db2.gz KCJIIUWOXUYFLD-RDJZCZTQSA-N 2 0 365.522 -0.271 20 0 FBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000551166164 484923647 /nfs/dbraw/zinc/92/36/47/484923647.db2.gz KCJIIUWOXUYFLD-WBVHZDCISA-N 2 0 365.522 -0.271 20 0 FBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000551210375 484926643 /nfs/dbraw/zinc/92/66/43/484926643.db2.gz YKNOOIWSQXHWGY-PBHICJAKSA-N 2 0 372.535 -0.233 20 0 FBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000551210376 484927815 /nfs/dbraw/zinc/92/78/15/484927815.db2.gz YKNOOIWSQXHWGY-RHSMWYFYSA-N 2 0 372.535 -0.233 20 0 FBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000551210377 484927627 /nfs/dbraw/zinc/92/76/27/484927627.db2.gz YKNOOIWSQXHWGY-WMLDXEAASA-N 2 0 372.535 -0.233 20 0 FBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000551210378 484926825 /nfs/dbraw/zinc/92/68/25/484926825.db2.gz YKNOOIWSQXHWGY-YOEHRIQHSA-N 2 0 372.535 -0.233 20 0 FBADRP Cc1nn(C)c(C)c1CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000551228750 484929047 /nfs/dbraw/zinc/92/90/47/484929047.db2.gz ARXHMRAFTGQKLQ-UHFFFAOYSA-N 2 0 352.483 -0.395 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000551284640 484932078 /nfs/dbraw/zinc/93/20/78/484932078.db2.gz SFHFQVGCNGPJHP-KRWDZBQOSA-N 2 0 361.490 -0.274 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000551284643 484932777 /nfs/dbraw/zinc/93/27/77/484932777.db2.gz SFHFQVGCNGPJHP-QGZVFWFLSA-N 2 0 361.490 -0.274 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000551284697 484932556 /nfs/dbraw/zinc/93/25/56/484932556.db2.gz UMUPMGVFSFTYCP-INIZCTEOSA-N 2 0 352.479 -0.186 20 0 FBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000551284699 484932236 /nfs/dbraw/zinc/93/22/36/484932236.db2.gz UMUPMGVFSFTYCP-MRXNPFEDSA-N 2 0 352.479 -0.186 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000551288083 484932198 /nfs/dbraw/zinc/93/21/98/484932198.db2.gz ICGITQHZWLLNNZ-UHFFFAOYSA-N 3 0 367.538 -0.071 20 0 FBADRP C[NH+](C)CCOCCNC(=O)C(=O)NCCc1cn2c(n1)CCCC2 ZINC000551349199 484933423 /nfs/dbraw/zinc/93/34/23/484933423.db2.gz CERJKJIYHUMNJQ-UHFFFAOYSA-N 2 0 351.451 -0.428 20 0 FBADRP C[C@@H](CNC(=O)C(=O)NCCC[NH+]1CCCCC1)C[NH+]1CCN(C)CC1 ZINC000551470108 484938890 /nfs/dbraw/zinc/93/88/90/484938890.db2.gz JMJAQCVLUVBNLG-KRWDZBQOSA-N 2 0 367.538 -0.022 20 0 FBADRP C[C@H](CNC(=O)C(=O)NCCC[NH+]1CCCCC1)C[NH+]1CCN(C)CC1 ZINC000551470111 484939459 /nfs/dbraw/zinc/93/94/59/484939459.db2.gz JMJAQCVLUVBNLG-QGZVFWFLSA-N 2 0 367.538 -0.022 20 0 FBADRP C[C@@H](CNC(=O)C(=O)N(C)CC[NH+]1CCCC1)C[NH+]1CCN(C)CC1 ZINC000551471201 484939101 /nfs/dbraw/zinc/93/91/01/484939101.db2.gz ANKLJDGFLFRQIV-INIZCTEOSA-N 2 0 353.511 -0.460 20 0 FBADRP C[C@H](CNC(=O)C(=O)N(C)CC[NH+]1CCCC1)C[NH+]1CCN(C)CC1 ZINC000551471202 484939886 /nfs/dbraw/zinc/93/98/86/484939886.db2.gz ANKLJDGFLFRQIV-MRXNPFEDSA-N 2 0 353.511 -0.460 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000551472599 484938701 /nfs/dbraw/zinc/93/87/01/484938701.db2.gz WCBZPBSWSGYUMI-CVEARBPZSA-N 2 0 353.511 -0.413 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000551472600 484939132 /nfs/dbraw/zinc/93/91/32/484939132.db2.gz WCBZPBSWSGYUMI-HOTGVXAUSA-N 2 0 353.511 -0.413 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000551472601 484939654 /nfs/dbraw/zinc/93/96/54/484939654.db2.gz WCBZPBSWSGYUMI-HZPDHXFCSA-N 2 0 353.511 -0.413 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000551472602 484938499 /nfs/dbraw/zinc/93/84/99/484938499.db2.gz WCBZPBSWSGYUMI-JKSUJKDBSA-N 2 0 353.511 -0.413 20 0 FBADRP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000551479856 484938744 /nfs/dbraw/zinc/93/87/44/484938744.db2.gz COLOSKCAKCFMHZ-DLBZAZTESA-N 2 0 367.538 -0.166 20 0 FBADRP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000551479857 484939394 /nfs/dbraw/zinc/93/93/94/484939394.db2.gz COLOSKCAKCFMHZ-IAGOWNOFSA-N 2 0 367.538 -0.166 20 0 FBADRP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000551479858 484939563 /nfs/dbraw/zinc/93/95/63/484939563.db2.gz COLOSKCAKCFMHZ-IRXDYDNUSA-N 2 0 367.538 -0.166 20 0 FBADRP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000551479859 484938425 /nfs/dbraw/zinc/93/84/25/484938425.db2.gz COLOSKCAKCFMHZ-SJORKVTESA-N 2 0 367.538 -0.166 20 0 FBADRP C[C@@H](CNC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C[NH+]1CCCC1 ZINC000551479937 484939074 /nfs/dbraw/zinc/93/90/74/484939074.db2.gz FYGQVBVKOFGAOI-INIZCTEOSA-N 2 0 367.538 -0.023 20 0 FBADRP C[C@H](CNC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C[NH+]1CCCC1 ZINC000551479940 484939255 /nfs/dbraw/zinc/93/92/55/484939255.db2.gz FYGQVBVKOFGAOI-MRXNPFEDSA-N 2 0 367.538 -0.023 20 0 FBADRP C[C@@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1)C[NH+]1CCN(C)CC1 ZINC000551479941 484939801 /nfs/dbraw/zinc/93/98/01/484939801.db2.gz FZNFHCQMNFCZHO-DOTOQJQBSA-N 2 0 365.522 -0.319 20 0 FBADRP C[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1)C[NH+]1CCN(C)CC1 ZINC000551479943 484939604 /nfs/dbraw/zinc/93/96/04/484939604.db2.gz FZNFHCQMNFCZHO-NVXWUHKLSA-N 2 0 365.522 -0.319 20 0 FBADRP C[C@@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1)C[NH+]1CCN(C)CC1 ZINC000551479944 484938969 /nfs/dbraw/zinc/93/89/69/484938969.db2.gz FZNFHCQMNFCZHO-RDJZCZTQSA-N 2 0 365.522 -0.319 20 0 FBADRP C[C@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1)C[NH+]1CCN(C)CC1 ZINC000551479945 484938594 /nfs/dbraw/zinc/93/85/94/484938594.db2.gz FZNFHCQMNFCZHO-WBVHZDCISA-N 2 0 365.522 -0.319 20 0 FBADRP C[C@@H](CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC1)C[NH+]1CCN(C)CC1 ZINC000551482800 484940355 /nfs/dbraw/zinc/94/03/55/484940355.db2.gz QFPKEGSTOPLXNB-HNNXBMFYSA-N 2 0 353.511 -0.461 20 0 FBADRP C[C@H](CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC1)C[NH+]1CCN(C)CC1 ZINC000551482801 484940443 /nfs/dbraw/zinc/94/04/43/484940443.db2.gz QFPKEGSTOPLXNB-OAHLLOKOSA-N 2 0 353.511 -0.461 20 0 FBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NCC[N@H+](C)C2CC2)CC1 ZINC000551485143 484940609 /nfs/dbraw/zinc/94/06/09/484940609.db2.gz NLHSZKIYXIYYQJ-HNNXBMFYSA-N 2 0 353.511 -0.413 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NCC[N@H+](C)C2CC2)CC1 ZINC000551485144 484940897 /nfs/dbraw/zinc/94/08/97/484940897.db2.gz NLHSZKIYXIYYQJ-OAHLLOKOSA-N 2 0 353.511 -0.413 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000551503320 484942384 /nfs/dbraw/zinc/94/23/84/484942384.db2.gz GMWZXAFJUJDICR-BRWVUGGUSA-N 2 0 367.538 -0.025 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000551503321 484943324 /nfs/dbraw/zinc/94/33/24/484943324.db2.gz GMWZXAFJUJDICR-IKGGRYGDSA-N 2 0 367.538 -0.025 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000551503322 484943187 /nfs/dbraw/zinc/94/31/87/484943187.db2.gz GMWZXAFJUJDICR-IXDOHACOSA-N 2 0 367.538 -0.025 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000551503323 484942696 /nfs/dbraw/zinc/94/26/96/484942696.db2.gz GMWZXAFJUJDICR-ZACQAIPSSA-N 2 0 367.538 -0.025 20 0 FBADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NCC[N@H+](C)C3CC3)C2)CC1 ZINC000551721089 484952538 /nfs/dbraw/zinc/95/25/38/484952538.db2.gz BDLLHBMBKALINF-KRWDZBQOSA-N 2 0 365.522 -0.176 20 0 FBADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NCC[N@H+](C)C3CC3)C2)CC1 ZINC000551721097 484952661 /nfs/dbraw/zinc/95/26/61/484952661.db2.gz BDLLHBMBKALINF-QGZVFWFLSA-N 2 0 365.522 -0.176 20 0 FBADRP CC(C)Oc1ccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)nn1 ZINC000551767753 484212519 /nfs/dbraw/zinc/21/25/19/484212519.db2.gz DGXOAGVCBZMZPB-UHFFFAOYSA-N 2 0 366.466 0.154 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000551848973 484959116 /nfs/dbraw/zinc/95/91/16/484959116.db2.gz NTNPQUVMVZEIHA-HNNXBMFYSA-N 2 0 353.511 -0.273 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000551848974 484958963 /nfs/dbraw/zinc/95/89/63/484958963.db2.gz NTNPQUVMVZEIHA-OAHLLOKOSA-N 2 0 353.511 -0.273 20 0 FBADRP COCC[N@H+](C)CCN1C[C@@H](NC(=O)CCc2cncn2C)CC1=O ZINC000552103140 484972381 /nfs/dbraw/zinc/97/23/81/484972381.db2.gz CNROFAMQAJWFSU-AWEZNQCLSA-N 2 0 351.451 -0.352 20 0 FBADRP COCC[N@H+](C)CCN1C[C@H](NC(=O)CCc2cncn2C)CC1=O ZINC000552103141 484971314 /nfs/dbraw/zinc/97/13/14/484971314.db2.gz CNROFAMQAJWFSU-CQSZACIVSA-N 2 0 351.451 -0.352 20 0 FBADRP COCC[N@H+](C)CCN1C[C@H](NC(=O)[C@H]2CCC[NH+]2C2CC2)CC1=O ZINC000552107838 484971390 /nfs/dbraw/zinc/97/13/90/484971390.db2.gz VKZKIXBFLGRJET-GDBMZVCRSA-N 2 0 352.479 -0.092 20 0 FBADRP COCC[N@H+](C)CCN1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CC2)CC1=O ZINC000552107839 484972293 /nfs/dbraw/zinc/97/22/93/484972293.db2.gz VKZKIXBFLGRJET-GOEBONIOSA-N 2 0 352.479 -0.092 20 0 FBADRP COCC[N@H+](C)CCN1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CC2)CC1=O ZINC000552107840 484971255 /nfs/dbraw/zinc/97/12/55/484971255.db2.gz VKZKIXBFLGRJET-HOCLYGCPSA-N 2 0 352.479 -0.092 20 0 FBADRP COCC[N@H+](C)CCN1C[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CC2)CC1=O ZINC000552107841 484972121 /nfs/dbraw/zinc/97/21/21/484972121.db2.gz VKZKIXBFLGRJET-ZBFHGGJFSA-N 2 0 352.479 -0.092 20 0 FBADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000552175833 484974793 /nfs/dbraw/zinc/97/47/93/484974793.db2.gz NIWUAKXXCJGALM-HNNXBMFYSA-N 2 0 365.522 -0.176 20 0 FBADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000552175834 484975607 /nfs/dbraw/zinc/97/56/07/484975607.db2.gz NIWUAKXXCJGALM-OAHLLOKOSA-N 2 0 365.522 -0.176 20 0 FBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N[C@H]2CC[NH+](C3CC3)C2)CC1(C)C ZINC000552176290 484976145 /nfs/dbraw/zinc/97/61/45/484976145.db2.gz BRCIVKHMDBBBNY-AWEZNQCLSA-N 2 0 351.495 -0.519 20 0 FBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N[C@@H]2CC[NH+](C3CC3)C2)CC1(C)C ZINC000552176294 484975479 /nfs/dbraw/zinc/97/54/79/484975479.db2.gz BRCIVKHMDBBBNY-CQSZACIVSA-N 2 0 351.495 -0.519 20 0 FBADRP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000552176607 484974867 /nfs/dbraw/zinc/97/48/67/484974867.db2.gz LIJQJXLAFQKOHR-HOTGVXAUSA-N 2 0 364.490 -0.090 20 0 FBADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000552176608 484975072 /nfs/dbraw/zinc/97/50/72/484975072.db2.gz LIJQJXLAFQKOHR-JKSUJKDBSA-N 2 0 364.490 -0.090 20 0 FBADRP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000552177378 484975899 /nfs/dbraw/zinc/97/58/99/484975899.db2.gz LIJQJXLAFQKOHR-CVEARBPZSA-N 2 0 364.490 -0.090 20 0 FBADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000552177379 484976218 /nfs/dbraw/zinc/97/62/18/484976218.db2.gz LIJQJXLAFQKOHR-HZPDHXFCSA-N 2 0 364.490 -0.090 20 0 FBADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)N[C@H]2CC[NH+](C3CC3)C2)CC1 ZINC000552185480 484977045 /nfs/dbraw/zinc/97/70/45/484977045.db2.gz UEQOOTGIQIFVRD-AWEZNQCLSA-N 2 0 352.479 -0.356 20 0 FBADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)N[C@@H]2CC[NH+](C3CC3)C2)CC1 ZINC000552185481 484977079 /nfs/dbraw/zinc/97/70/79/484977079.db2.gz UEQOOTGIQIFVRD-CQSZACIVSA-N 2 0 352.479 -0.356 20 0 FBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000552191420 484976950 /nfs/dbraw/zinc/97/69/50/484976950.db2.gz FUVUYQKVXSKTRQ-BBWFWOEESA-N 2 0 367.538 -0.073 20 0 FBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000552191421 484977279 /nfs/dbraw/zinc/97/72/79/484977279.db2.gz FUVUYQKVXSKTRQ-BRWVUGGUSA-N 2 0 367.538 -0.073 20 0 FBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000552191422 484977316 /nfs/dbraw/zinc/97/73/16/484977316.db2.gz FUVUYQKVXSKTRQ-GVDBMIGSSA-N 2 0 367.538 -0.073 20 0 FBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000552191423 484977591 /nfs/dbraw/zinc/97/75/91/484977591.db2.gz FUVUYQKVXSKTRQ-ZACQAIPSSA-N 2 0 367.538 -0.073 20 0 FBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000552192071 484977112 /nfs/dbraw/zinc/97/71/12/484977112.db2.gz CWKBWWJAHWWSET-INIZCTEOSA-N 2 0 367.538 -0.071 20 0 FBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000552192072 484976805 /nfs/dbraw/zinc/97/68/05/484976805.db2.gz CWKBWWJAHWWSET-MRXNPFEDSA-N 2 0 367.538 -0.071 20 0 FBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000552201149 484977550 /nfs/dbraw/zinc/97/75/50/484977550.db2.gz BMLZRSPUYHXQAM-HNNXBMFYSA-N 2 0 367.494 -0.791 20 0 FBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000552201150 484977774 /nfs/dbraw/zinc/97/77/74/484977774.db2.gz BMLZRSPUYHXQAM-OAHLLOKOSA-N 2 0 367.494 -0.791 20 0 FBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000552496213 484991306 /nfs/dbraw/zinc/99/13/06/484991306.db2.gz FWCVQGIFBRSKKY-GDBMZVCRSA-N 2 0 352.479 -0.092 20 0 FBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000552496214 484990880 /nfs/dbraw/zinc/99/08/80/484990880.db2.gz FWCVQGIFBRSKKY-GOEBONIOSA-N 2 0 352.479 -0.092 20 0 FBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000552496215 484991838 /nfs/dbraw/zinc/99/18/38/484991838.db2.gz FWCVQGIFBRSKKY-HOCLYGCPSA-N 2 0 352.479 -0.092 20 0 FBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000552496216 484990957 /nfs/dbraw/zinc/99/09/57/484990957.db2.gz FWCVQGIFBRSKKY-ZBFHGGJFSA-N 2 0 352.479 -0.092 20 0 FBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)CC[N@@H+]1C ZINC000552550480 484994645 /nfs/dbraw/zinc/99/46/45/484994645.db2.gz ZERGKIKOMCARJJ-ILXRZTDVSA-N 2 0 367.494 -0.711 20 0 FBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)CC[N@@H+]1C ZINC000552550481 484994170 /nfs/dbraw/zinc/99/41/70/484994170.db2.gz ZERGKIKOMCARJJ-KFWWJZLASA-N 2 0 367.494 -0.711 20 0 FBADRP C[C@@H]1C[C@H](NC(=O)C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)CC[N@@H+]1C ZINC000552550482 484994547 /nfs/dbraw/zinc/99/45/47/484994547.db2.gz ZERGKIKOMCARJJ-QLFBSQMISA-N 2 0 367.494 -0.711 20 0 FBADRP C[C@@H]1C[C@H](NC(=O)C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)CC[N@@H+]1C ZINC000552550483 484994754 /nfs/dbraw/zinc/99/47/54/484994754.db2.gz ZERGKIKOMCARJJ-RBSFLKMASA-N 2 0 367.494 -0.711 20 0 FBADRP CC[N@@H+]1CCCN(C(=O)C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000552557151 484995468 /nfs/dbraw/zinc/99/54/68/484995468.db2.gz POWKUKULSPIJPF-HNNXBMFYSA-N 2 0 367.494 -0.756 20 0 FBADRP CC[N@@H+]1CCCN(C(=O)C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000552557152 484994713 /nfs/dbraw/zinc/99/47/13/484994713.db2.gz POWKUKULSPIJPF-OAHLLOKOSA-N 2 0 367.494 -0.756 20 0 FBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)N1CC(CO)C1 ZINC000552584956 484998274 /nfs/dbraw/zinc/99/82/74/484998274.db2.gz BEOCYONAPCXJFC-UHFFFAOYSA-N 2 0 361.446 -0.839 20 0 FBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000552621794 484999857 /nfs/dbraw/zinc/99/98/57/484999857.db2.gz RWKFQIWLQSLAKT-INIZCTEOSA-N 2 0 370.494 -0.748 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000552622162 485000208 /nfs/dbraw/zinc/00/02/08/485000208.db2.gz HVJBELXOJVSEFJ-UHFFFAOYSA-N 3 0 355.527 -0.214 20 0 FBADRP COCC[N@H+](C)CCNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000552622982 484999648 /nfs/dbraw/zinc/99/96/48/484999648.db2.gz VOEVBRFFAYRLNC-UHFFFAOYSA-N 2 0 370.494 -0.558 20 0 FBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000552630866 484999934 /nfs/dbraw/zinc/99/99/34/484999934.db2.gz KAFPZAQKJYCCSS-UHFFFAOYSA-N 2 0 367.538 -0.070 20 0 FBADRP C[C@H](CNC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C)[NH+]1CCC(C)CC1 ZINC000552689255 485002187 /nfs/dbraw/zinc/00/21/87/485002187.db2.gz ULBSOKYQYNYKSV-CVEARBPZSA-N 2 0 353.511 -0.415 20 0 FBADRP C[C@@H](CNC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C)[NH+]1CCC(C)CC1 ZINC000552689256 485002812 /nfs/dbraw/zinc/00/28/12/485002812.db2.gz ULBSOKYQYNYKSV-HOTGVXAUSA-N 2 0 353.511 -0.415 20 0 FBADRP C[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C)[NH+]1CCC(C)CC1 ZINC000552689257 485002850 /nfs/dbraw/zinc/00/28/50/485002850.db2.gz ULBSOKYQYNYKSV-HZPDHXFCSA-N 2 0 353.511 -0.415 20 0 FBADRP C[C@@H](CNC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C)[NH+]1CCC(C)CC1 ZINC000552689258 485002499 /nfs/dbraw/zinc/00/24/99/485002499.db2.gz ULBSOKYQYNYKSV-JKSUJKDBSA-N 2 0 353.511 -0.415 20 0 FBADRP CC[N@H+](CCNC(=O)C(=O)N1CCC([NH+](C)CCCO)CC1)C1CC1 ZINC000552746848 485003442 /nfs/dbraw/zinc/00/34/42/485003442.db2.gz ZWWRUVZDFRZEFN-UHFFFAOYSA-N 2 0 354.495 -0.108 20 0 FBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N(C)CC[NH+](C)C ZINC000552803454 485007052 /nfs/dbraw/zinc/00/70/52/485007052.db2.gz RYCDADVPKJFGDA-AWEZNQCLSA-N 2 0 355.483 -0.935 20 0 FBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N(C)CC[NH+](C)C ZINC000552803455 485006705 /nfs/dbraw/zinc/00/67/05/485006705.db2.gz RYCDADVPKJFGDA-CQSZACIVSA-N 2 0 355.483 -0.935 20 0 FBADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000552895188 485011390 /nfs/dbraw/zinc/01/13/90/485011390.db2.gz FAEGGBJBVDHXIQ-CABCVRRESA-N 2 0 367.494 -0.757 20 0 FBADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000552895189 485012318 /nfs/dbraw/zinc/01/23/18/485012318.db2.gz FAEGGBJBVDHXIQ-GJZGRUSLSA-N 2 0 367.494 -0.757 20 0 FBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000552895190 485011293 /nfs/dbraw/zinc/01/12/93/485011293.db2.gz FAEGGBJBVDHXIQ-HUUCEWRRSA-N 2 0 367.494 -0.757 20 0 FBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000552895191 485012211 /nfs/dbraw/zinc/01/22/11/485012211.db2.gz FAEGGBJBVDHXIQ-LSDHHAIUSA-N 2 0 367.494 -0.757 20 0 FBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000552901354 485011441 /nfs/dbraw/zinc/01/14/41/485011441.db2.gz LRNSJRGYBYQGIS-HNNXBMFYSA-N 2 0 367.494 -0.756 20 0 FBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000552901355 485011956 /nfs/dbraw/zinc/01/19/56/485011956.db2.gz LRNSJRGYBYQGIS-OAHLLOKOSA-N 2 0 367.494 -0.756 20 0 FBADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000552901728 485011231 /nfs/dbraw/zinc/01/12/31/485011231.db2.gz SOZVKPYDDVHMDT-CABCVRRESA-N 2 0 367.494 -0.757 20 0 FBADRP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000552901729 485011559 /nfs/dbraw/zinc/01/15/59/485011559.db2.gz SOZVKPYDDVHMDT-GJZGRUSLSA-N 2 0 367.494 -0.757 20 0 FBADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000552901730 485012086 /nfs/dbraw/zinc/01/20/86/485012086.db2.gz SOZVKPYDDVHMDT-HUUCEWRRSA-N 2 0 367.494 -0.757 20 0 FBADRP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000552901731 485011009 /nfs/dbraw/zinc/01/10/09/485011009.db2.gz SOZVKPYDDVHMDT-LSDHHAIUSA-N 2 0 367.494 -0.757 20 0 FBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCC[NH+]1CC=C(C)CC1 ZINC000552937947 485017629 /nfs/dbraw/zinc/01/76/29/485017629.db2.gz UPTYIPMEMMRPNO-INIZCTEOSA-N 2 0 352.479 -0.018 20 0 FBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC[NH+]1CC=C(C)CC1 ZINC000552937948 485018152 /nfs/dbraw/zinc/01/81/52/485018152.db2.gz UPTYIPMEMMRPNO-MRXNPFEDSA-N 2 0 352.479 -0.018 20 0 FBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](C2CCOCC2)C[C@@H]1C ZINC000552969872 485020484 /nfs/dbraw/zinc/02/04/84/485020484.db2.gz VLCXQRPBILSPMI-HNNXBMFYSA-N 2 0 370.494 -0.608 20 0 FBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000552970767 485021573 /nfs/dbraw/zinc/02/15/73/485021573.db2.gz OZGSTVDXFWWHPV-UHFFFAOYSA-N 2 0 370.494 -0.748 20 0 FBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000553025307 485022532 /nfs/dbraw/zinc/02/25/32/485022532.db2.gz WLRHRVBEDYQARD-INIZCTEOSA-N 3 0 355.527 -0.071 20 0 FBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000553025308 485022286 /nfs/dbraw/zinc/02/22/86/485022286.db2.gz WLRHRVBEDYQARD-MRXNPFEDSA-N 3 0 355.527 -0.071 20 0 FBADRP C[C@@H](CNC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)[NH+](C)C1CC1 ZINC000553040614 485022943 /nfs/dbraw/zinc/02/29/43/485022943.db2.gz JFVBCANLIXRTBY-AWEZNQCLSA-N 2 0 353.511 -0.273 20 0 FBADRP C[C@H](CNC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)[NH+](C)C1CC1 ZINC000553040615 485022987 /nfs/dbraw/zinc/02/29/87/485022987.db2.gz JFVBCANLIXRTBY-CQSZACIVSA-N 2 0 353.511 -0.273 20 0 FBADRP C[C@@H](CNC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1)[NH+](C)C1CC1 ZINC000553040690 485025020 /nfs/dbraw/zinc/02/50/20/485025020.db2.gz LQHIGPRMROHAFJ-AWEZNQCLSA-N 2 0 354.495 -0.110 20 0 FBADRP C[C@H](CNC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1)[NH+](C)C1CC1 ZINC000553040691 485024276 /nfs/dbraw/zinc/02/42/76/485024276.db2.gz LQHIGPRMROHAFJ-CQSZACIVSA-N 2 0 354.495 -0.110 20 0 FBADRP CN(C)S(=O)(=O)N(C)CC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000553146464 485027656 /nfs/dbraw/zinc/02/76/56/485027656.db2.gz ORVKAJNINXOYLS-UHFFFAOYSA-N 2 0 365.544 -0.543 20 0 FBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCCN1CCOC[C@H]1C ZINC000553275564 485035159 /nfs/dbraw/zinc/03/51/59/485035159.db2.gz LEPHROZSJYIEDF-CABCVRRESA-N 2 0 356.467 -0.950 20 0 FBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCCN1CCOC[C@@H]1C ZINC000553275565 485035840 /nfs/dbraw/zinc/03/58/40/485035840.db2.gz LEPHROZSJYIEDF-GJZGRUSLSA-N 2 0 356.467 -0.950 20 0 FBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCN1CCOC[C@H]1C ZINC000553275566 485035989 /nfs/dbraw/zinc/03/59/89/485035989.db2.gz LEPHROZSJYIEDF-HUUCEWRRSA-N 2 0 356.467 -0.950 20 0 FBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCN1CCOC[C@@H]1C ZINC000553275567 485035431 /nfs/dbraw/zinc/03/54/31/485035431.db2.gz LEPHROZSJYIEDF-LSDHHAIUSA-N 2 0 356.467 -0.950 20 0 FBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N(C)[C@H]1CC[NH+](C2CC2)C1 ZINC000553275883 485037633 /nfs/dbraw/zinc/03/76/33/485037633.db2.gz XDDBCQNCRWDUTL-CVEARBPZSA-N 2 0 352.479 -0.092 20 0 FBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N(C)[C@H]1CC[NH+](C2CC2)C1 ZINC000553275884 485037029 /nfs/dbraw/zinc/03/70/29/485037029.db2.gz XDDBCQNCRWDUTL-HOTGVXAUSA-N 2 0 352.479 -0.092 20 0 FBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N(C)[C@@H]1CC[NH+](C2CC2)C1 ZINC000553275885 485036690 /nfs/dbraw/zinc/03/66/90/485036690.db2.gz XDDBCQNCRWDUTL-HZPDHXFCSA-N 2 0 352.479 -0.092 20 0 FBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N(C)[C@@H]1CC[NH+](C2CC2)C1 ZINC000553275886 485037788 /nfs/dbraw/zinc/03/77/88/485037788.db2.gz XDDBCQNCRWDUTL-JKSUJKDBSA-N 2 0 352.479 -0.092 20 0 FBADRP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)c1 ZINC000553312421 485041521 /nfs/dbraw/zinc/04/15/21/485041521.db2.gz GPTQBRTWCWXXCO-GDBMZVCRSA-N 2 0 370.519 -0.146 20 0 FBADRP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)c1 ZINC000553312422 485040876 /nfs/dbraw/zinc/04/08/76/485040876.db2.gz GPTQBRTWCWXXCO-GOEBONIOSA-N 2 0 370.519 -0.146 20 0 FBADRP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)c1 ZINC000553312423 485040626 /nfs/dbraw/zinc/04/06/26/485040626.db2.gz GPTQBRTWCWXXCO-HOCLYGCPSA-N 2 0 370.519 -0.146 20 0 FBADRP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)c1 ZINC000553312424 485040383 /nfs/dbraw/zinc/04/03/83/485040383.db2.gz GPTQBRTWCWXXCO-ZBFHGGJFSA-N 2 0 370.519 -0.146 20 0 FBADRP C[C@@H](C[NH+](C)C)Nc1nc(N[C@@H](C)C[NH+](C)C)nc(N2CCOCC2)n1 ZINC000553363831 485042216 /nfs/dbraw/zinc/04/22/16/485042216.db2.gz RMMAGAWKZBBCJP-KBPBESRZSA-N 2 0 366.514 -0.724 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC([NH+](C)CCCO)CC2)C1 ZINC000553393963 485043857 /nfs/dbraw/zinc/04/38/57/485043857.db2.gz CZPPMFPYRNBUSI-HNNXBMFYSA-N 2 0 370.494 -0.872 20 0 FBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC([NH+](C)CCCO)CC2)C1 ZINC000553393965 485045133 /nfs/dbraw/zinc/04/51/33/485045133.db2.gz CZPPMFPYRNBUSI-OAHLLOKOSA-N 2 0 370.494 -0.872 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000553394360 485045561 /nfs/dbraw/zinc/04/55/61/485045561.db2.gz MOBAZEHGIHBUBH-JYJNAYRXSA-N 2 0 370.494 -0.561 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000553394361 485043936 /nfs/dbraw/zinc/04/39/36/485043936.db2.gz MOBAZEHGIHBUBH-OAGGEKHMSA-N 2 0 370.494 -0.561 20 0 FBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000553394362 485044091 /nfs/dbraw/zinc/04/40/91/485044091.db2.gz MOBAZEHGIHBUBH-OWCLPIDISA-N 2 0 370.494 -0.561 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000553394363 485045189 /nfs/dbraw/zinc/04/51/89/485045189.db2.gz MOBAZEHGIHBUBH-XHSDSOJGSA-N 2 0 370.494 -0.561 20 0 FBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C1 ZINC000553395526 485045237 /nfs/dbraw/zinc/04/52/37/485045237.db2.gz KHHLZNQXQBCAAG-CVEARBPZSA-N 2 0 370.494 -0.608 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C1 ZINC000553395527 485045284 /nfs/dbraw/zinc/04/52/84/485045284.db2.gz KHHLZNQXQBCAAG-HOTGVXAUSA-N 2 0 370.494 -0.608 20 0 FBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)C1 ZINC000553395528 485044036 /nfs/dbraw/zinc/04/40/36/485044036.db2.gz KHHLZNQXQBCAAG-HZPDHXFCSA-N 2 0 370.494 -0.608 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)C1 ZINC000553395529 485045021 /nfs/dbraw/zinc/04/50/21/485045021.db2.gz KHHLZNQXQBCAAG-JKSUJKDBSA-N 2 0 370.494 -0.608 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC000553395922 485044359 /nfs/dbraw/zinc/04/43/59/485044359.db2.gz RRQGPWKRGYWDTI-HNSVSWJLSA-N 2 0 352.479 -0.045 20 0 FBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC000553395923 485045041 /nfs/dbraw/zinc/04/50/41/485045041.db2.gz RRQGPWKRGYWDTI-WZYMTQMTSA-N 2 0 352.479 -0.045 20 0 FBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CCCC[NH+]2C2CC2)C1 ZINC000553397614 485046625 /nfs/dbraw/zinc/04/66/25/485046625.db2.gz VLPVQYNBCHYLHU-GDBMZVCRSA-N 2 0 352.479 -0.044 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CCCC[NH+]2C2CC2)C1 ZINC000553397617 485046649 /nfs/dbraw/zinc/04/66/49/485046649.db2.gz VLPVQYNBCHYLHU-GOEBONIOSA-N 2 0 352.479 -0.044 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CCCC[NH+]2C2CC2)C1 ZINC000553397619 485046439 /nfs/dbraw/zinc/04/64/39/485046439.db2.gz VLPVQYNBCHYLHU-HOCLYGCPSA-N 2 0 352.479 -0.044 20 0 FBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CCCC[NH+]2C2CC2)C1 ZINC000553397620 485047448 /nfs/dbraw/zinc/04/74/48/485047448.db2.gz VLPVQYNBCHYLHU-ZBFHGGJFSA-N 2 0 352.479 -0.044 20 0 FBADRP C[C@@H](C[NH+](C)C)NC(=O)c1cc(S(=O)(=O)N[C@@H](C)C[NH+](C)C)c[nH]1 ZINC000553547655 485053233 /nfs/dbraw/zinc/05/32/33/485053233.db2.gz ZQAAZGSNWKXQSC-RYUDHWBXSA-N 2 0 359.496 -0.077 20 0 FBADRP C[NH+](C)CCOCCNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000553602181 485056304 /nfs/dbraw/zinc/05/63/04/485056304.db2.gz VTABFLCUHDFQFA-UHFFFAOYSA-N 2 0 370.494 -0.558 20 0 FBADRP C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)[C@H](C)N1CCOCC1 ZINC000553618258 485057764 /nfs/dbraw/zinc/05/77/64/485057764.db2.gz OYLPSRMTYPDRLS-CVEARBPZSA-N 2 0 371.526 -0.836 20 0 FBADRP C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)[C@H](C)N1CCOCC1 ZINC000553618259 485058013 /nfs/dbraw/zinc/05/80/13/485058013.db2.gz OYLPSRMTYPDRLS-HOTGVXAUSA-N 2 0 371.526 -0.836 20 0 FBADRP C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)[C@@H](C)N1CCOCC1 ZINC000553618260 485057675 /nfs/dbraw/zinc/05/76/75/485057675.db2.gz OYLPSRMTYPDRLS-HZPDHXFCSA-N 2 0 371.526 -0.836 20 0 FBADRP C[C@H]([C@H](C)NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)N1CCOCC1 ZINC000553618261 485056974 /nfs/dbraw/zinc/05/69/74/485056974.db2.gz OYLPSRMTYPDRLS-JKSUJKDBSA-N 2 0 371.526 -0.836 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CCO1 ZINC000553685512 485060949 /nfs/dbraw/zinc/06/09/49/485060949.db2.gz WWHJDOMMHOMPHX-GDBMZVCRSA-N 2 0 352.479 -0.092 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CCO1 ZINC000553685515 485060384 /nfs/dbraw/zinc/06/03/84/485060384.db2.gz WWHJDOMMHOMPHX-GOEBONIOSA-N 2 0 352.479 -0.092 20 0 FBADRP C[NH+](C)C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CCO1 ZINC000553685517 485060320 /nfs/dbraw/zinc/06/03/20/485060320.db2.gz WWHJDOMMHOMPHX-HOCLYGCPSA-N 2 0 352.479 -0.092 20 0 FBADRP C[NH+](C)C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CCO1 ZINC000553685519 485060876 /nfs/dbraw/zinc/06/08/76/485060876.db2.gz WWHJDOMMHOMPHX-ZBFHGGJFSA-N 2 0 352.479 -0.092 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000553712122 485062453 /nfs/dbraw/zinc/06/24/53/485062453.db2.gz QPLXVNGLABPMBI-HNNXBMFYSA-N 2 0 352.479 -0.090 20 0 FBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000553712126 485062359 /nfs/dbraw/zinc/06/23/59/485062359.db2.gz QPLXVNGLABPMBI-OAHLLOKOSA-N 2 0 352.479 -0.090 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000553732207 485062469 /nfs/dbraw/zinc/06/24/69/485062469.db2.gz PZICUIKDJAQGIA-HNNXBMFYSA-N 2 0 352.479 -0.186 20 0 FBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000553732208 485062665 /nfs/dbraw/zinc/06/26/65/485062665.db2.gz PZICUIKDJAQGIA-OAHLLOKOSA-N 2 0 352.479 -0.186 20 0 FBADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H]1CC[NH+](CCOC)C1 ZINC000553732349 485062324 /nfs/dbraw/zinc/06/23/24/485062324.db2.gz BFFCYFLOJIWUOK-OAGGEKHMSA-N 2 0 352.479 -0.092 20 0 FBADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H]1CC[NH+](CCOC)C1 ZINC000553732350 485062820 /nfs/dbraw/zinc/06/28/20/485062820.db2.gz BFFCYFLOJIWUOK-XHSDSOJGSA-N 2 0 352.479 -0.092 20 0 FBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000553733171 485063025 /nfs/dbraw/zinc/06/30/25/485063025.db2.gz HQXVBOWHMPWGIV-CVEARBPZSA-N 2 0 352.479 -0.090 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000553733173 485062995 /nfs/dbraw/zinc/06/29/95/485062995.db2.gz HQXVBOWHMPWGIV-HOTGVXAUSA-N 2 0 352.479 -0.090 20 0 FBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000553733175 485061721 /nfs/dbraw/zinc/06/17/21/485061721.db2.gz HQXVBOWHMPWGIV-HZPDHXFCSA-N 2 0 352.479 -0.090 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000553733177 485062265 /nfs/dbraw/zinc/06/22/65/485062265.db2.gz HQXVBOWHMPWGIV-JKSUJKDBSA-N 2 0 352.479 -0.090 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000553733470 485062784 /nfs/dbraw/zinc/06/27/84/485062784.db2.gz QSCUYRCULBOMNG-FHERZECASA-N 2 0 352.479 -0.044 20 0 FBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000553733472 485061976 /nfs/dbraw/zinc/06/19/76/485061976.db2.gz QSCUYRCULBOMNG-QQFBHYJXSA-N 2 0 352.479 -0.044 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)C1 ZINC000553733744 485062702 /nfs/dbraw/zinc/06/27/02/485062702.db2.gz CLSNXWMCBCOSKZ-HRCADAONSA-N 2 0 352.479 -0.234 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[NH+]3C)C2)C1 ZINC000553733745 485062939 /nfs/dbraw/zinc/06/29/39/485062939.db2.gz CLSNXWMCBCOSKZ-JYJNAYRXSA-N 2 0 352.479 -0.234 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C)C2)C1 ZINC000553733746 485062540 /nfs/dbraw/zinc/06/25/40/485062540.db2.gz CLSNXWMCBCOSKZ-OWCLPIDISA-N 2 0 352.479 -0.234 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[NH+]3C)C2)C1 ZINC000553733747 485062729 /nfs/dbraw/zinc/06/27/29/485062729.db2.gz CLSNXWMCBCOSKZ-PMPSAXMXSA-N 2 0 352.479 -0.234 20 0 FBADRP Cc1noc(C)c1CCNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000553956136 485072909 /nfs/dbraw/zinc/07/29/09/485072909.db2.gz XALHOTHNFNIEOT-UHFFFAOYSA-N 2 0 353.467 -0.098 20 0 FBADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H]2C[NH+](C)CCN2C)C1 ZINC000554041844 485075398 /nfs/dbraw/zinc/07/53/98/485075398.db2.gz KMNAKYGXIYWEFU-CVEARBPZSA-N 2 0 353.511 -0.558 20 0 FBADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@H]2C[NH+](C)CCN2C)C1 ZINC000554041851 485075613 /nfs/dbraw/zinc/07/56/13/485075613.db2.gz KMNAKYGXIYWEFU-HOTGVXAUSA-N 2 0 353.511 -0.558 20 0 FBADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H]2C[NH+](C)CCN2C)C1 ZINC000554041852 485076895 /nfs/dbraw/zinc/07/68/95/485076895.db2.gz KMNAKYGXIYWEFU-HZPDHXFCSA-N 2 0 353.511 -0.558 20 0 FBADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@@H]2C[NH+](C)CCN2C)C1 ZINC000554041853 485076028 /nfs/dbraw/zinc/07/60/28/485076028.db2.gz KMNAKYGXIYWEFU-JKSUJKDBSA-N 2 0 353.511 -0.558 20 0 FBADRP C[C@H](CCNC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C)[NH+]1CCCCC1 ZINC000554044818 485076692 /nfs/dbraw/zinc/07/66/92/485076692.db2.gz XWZVMBFTMOAAMK-CVEARBPZSA-N 2 0 353.511 -0.271 20 0 FBADRP C[C@@H](CCNC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C)[NH+]1CCCCC1 ZINC000554044820 485076262 /nfs/dbraw/zinc/07/62/62/485076262.db2.gz XWZVMBFTMOAAMK-HOTGVXAUSA-N 2 0 353.511 -0.271 20 0 FBADRP C[C@H](CCNC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C)[NH+]1CCCCC1 ZINC000554044821 485076168 /nfs/dbraw/zinc/07/61/68/485076168.db2.gz XWZVMBFTMOAAMK-HZPDHXFCSA-N 2 0 353.511 -0.271 20 0 FBADRP C[C@@H](CCNC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C)[NH+]1CCCCC1 ZINC000554044822 485076667 /nfs/dbraw/zinc/07/66/67/485076667.db2.gz XWZVMBFTMOAAMK-JKSUJKDBSA-N 2 0 353.511 -0.271 20 0 FBADRP CC(C)N1CC[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1=O ZINC000554191245 485081622 /nfs/dbraw/zinc/08/16/22/485081622.db2.gz FOJHLASBJMVZRU-AWEZNQCLSA-N 2 0 355.483 -0.936 20 0 FBADRP CC(C)N1CC[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1=O ZINC000554191246 485081657 /nfs/dbraw/zinc/08/16/57/485081657.db2.gz FOJHLASBJMVZRU-CQSZACIVSA-N 2 0 355.483 -0.936 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CC(=O)N(C2CC2)C1 ZINC000554258682 485083863 /nfs/dbraw/zinc/08/38/63/485083863.db2.gz UGBSMJBJAUMLGH-AWEZNQCLSA-N 2 0 367.494 -0.935 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CC(=O)N(C2CC2)C1 ZINC000554258689 485083923 /nfs/dbraw/zinc/08/39/23/485083923.db2.gz UGBSMJBJAUMLGH-CQSZACIVSA-N 2 0 367.494 -0.935 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000554342491 485088624 /nfs/dbraw/zinc/08/86/24/485088624.db2.gz FZTVOUKQANHVCD-INIZCTEOSA-N 2 0 353.511 -0.461 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000554342492 485088435 /nfs/dbraw/zinc/08/84/35/485088435.db2.gz FZTVOUKQANHVCD-MRXNPFEDSA-N 2 0 353.511 -0.461 20 0 FBADRP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)NC[C@H]2C[NH+](C)CCN2C)CC1 ZINC000554342525 485088858 /nfs/dbraw/zinc/08/88/58/485088858.db2.gz HAXOUTCPXLDZEM-KRWDZBQOSA-N 2 0 367.538 -0.073 20 0 FBADRP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)NC[C@@H]2C[NH+](C)CCN2C)CC1 ZINC000554342526 485088177 /nfs/dbraw/zinc/08/81/77/485088177.db2.gz HAXOUTCPXLDZEM-QGZVFWFLSA-N 2 0 367.538 -0.073 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000554342691 485088374 /nfs/dbraw/zinc/08/83/74/485088374.db2.gz IXKVHOSEFZWUEJ-INIZCTEOSA-N 2 0 367.538 -0.071 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000554342692 485087795 /nfs/dbraw/zinc/08/77/95/485087795.db2.gz IXKVHOSEFZWUEJ-MRXNPFEDSA-N 2 0 367.538 -0.071 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000554342712 485088164 /nfs/dbraw/zinc/08/81/64/485088164.db2.gz CPLXEMUIINDINL-HNNXBMFYSA-N 2 0 353.511 -0.413 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000554342714 485088603 /nfs/dbraw/zinc/08/86/03/485088603.db2.gz CPLXEMUIINDINL-OAHLLOKOSA-N 2 0 353.511 -0.413 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000554342757 485088272 /nfs/dbraw/zinc/08/82/72/485088272.db2.gz DLURDYMHEFPTNT-CVEARBPZSA-N 2 0 351.495 -0.565 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000554342758 485088048 /nfs/dbraw/zinc/08/80/48/485088048.db2.gz DLURDYMHEFPTNT-HOTGVXAUSA-N 2 0 351.495 -0.565 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000554342759 485088916 /nfs/dbraw/zinc/08/89/16/485088916.db2.gz DLURDYMHEFPTNT-HZPDHXFCSA-N 2 0 351.495 -0.565 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000554342760 485087514 /nfs/dbraw/zinc/08/75/14/485087514.db2.gz DLURDYMHEFPTNT-JKSUJKDBSA-N 2 0 351.495 -0.565 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC[NH+](C(C)(C)C)CC1 ZINC000554342762 485087569 /nfs/dbraw/zinc/08/75/69/485087569.db2.gz DUJFIHCCJIAKFZ-HNNXBMFYSA-N 2 0 353.511 -0.319 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC[NH+](C(C)(C)C)CC1 ZINC000554342763 485089124 /nfs/dbraw/zinc/08/91/24/485089124.db2.gz DUJFIHCCJIAKFZ-OAHLLOKOSA-N 2 0 353.511 -0.319 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000554343298 485087329 /nfs/dbraw/zinc/08/73/29/485087329.db2.gz NQNNKYSVWZNFCS-HNNXBMFYSA-N 2 0 353.511 -0.413 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000554343300 485087927 /nfs/dbraw/zinc/08/79/27/485087927.db2.gz NQNNKYSVWZNFCS-OAHLLOKOSA-N 2 0 353.511 -0.413 20 0 FBADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000554343410 485088677 /nfs/dbraw/zinc/08/86/77/485088677.db2.gz USHYTDIUCYVHOR-CVEARBPZSA-N 2 0 353.511 -0.271 20 0 FBADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000554343411 485087537 /nfs/dbraw/zinc/08/75/37/485087537.db2.gz USHYTDIUCYVHOR-HOTGVXAUSA-N 2 0 353.511 -0.271 20 0 FBADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000554343413 485089073 /nfs/dbraw/zinc/08/90/73/485089073.db2.gz USHYTDIUCYVHOR-HZPDHXFCSA-N 2 0 353.511 -0.271 20 0 FBADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000554343415 485087942 /nfs/dbraw/zinc/08/79/42/485087942.db2.gz USHYTDIUCYVHOR-JKSUJKDBSA-N 2 0 353.511 -0.271 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000554343474 485089265 /nfs/dbraw/zinc/08/92/65/485089265.db2.gz PPNFCHOIAMJQAD-INIZCTEOSA-N 2 0 351.495 -0.661 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000554343475 485087836 /nfs/dbraw/zinc/08/78/36/485087836.db2.gz PPNFCHOIAMJQAD-MRXNPFEDSA-N 2 0 351.495 -0.661 20 0 FBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2C[NH+](C)CCN2C)[C@@H](C)C1 ZINC000554343917 485088459 /nfs/dbraw/zinc/08/84/59/485088459.db2.gz YKPHNTZZBQZZLK-JYJNAYRXSA-N 2 0 353.511 -0.463 20 0 FBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2C[NH+](C)CCN2C)[C@H](C)C1 ZINC000554343918 485089158 /nfs/dbraw/zinc/08/91/58/485089158.db2.gz YKPHNTZZBQZZLK-OAGGEKHMSA-N 2 0 353.511 -0.463 20 0 FBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2C[NH+](C)CCN2C)[C@H](C)C1 ZINC000554343919 485087455 /nfs/dbraw/zinc/08/74/55/485087455.db2.gz YKPHNTZZBQZZLK-PMPSAXMXSA-N 2 0 353.511 -0.463 20 0 FBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2C[NH+](C)CCN2C)[C@@H](C)C1 ZINC000554343920 485087664 /nfs/dbraw/zinc/08/76/64/485087664.db2.gz YKPHNTZZBQZZLK-XHSDSOJGSA-N 2 0 353.511 -0.463 20 0 FBADRP C[C@H](CNC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C)C[NH+]1CCCCC1 ZINC000554343961 485088013 /nfs/dbraw/zinc/08/80/13/485088013.db2.gz ZNYFMXPMFGQZIF-CVEARBPZSA-N 2 0 353.511 -0.413 20 0 FBADRP C[C@@H](CNC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C)C[NH+]1CCCCC1 ZINC000554343962 485088942 /nfs/dbraw/zinc/08/89/42/485088942.db2.gz ZNYFMXPMFGQZIF-HOTGVXAUSA-N 2 0 353.511 -0.413 20 0 FBADRP C[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C)C[NH+]1CCCCC1 ZINC000554343963 485089300 /nfs/dbraw/zinc/08/93/00/485089300.db2.gz ZNYFMXPMFGQZIF-HZPDHXFCSA-N 2 0 353.511 -0.413 20 0 FBADRP C[C@@H](CNC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C)C[NH+]1CCCCC1 ZINC000554343964 485088226 /nfs/dbraw/zinc/08/82/26/485088226.db2.gz ZNYFMXPMFGQZIF-JKSUJKDBSA-N 2 0 353.511 -0.413 20 0 FBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000554506325 485094354 /nfs/dbraw/zinc/09/43/54/485094354.db2.gz WKQKSMMLPFBZPC-BBWFWOEESA-N 2 0 355.527 -0.034 20 0 FBADRP C[C@H](CNC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C)C[NH+]1CCN(C)CC1 ZINC000554506326 485093841 /nfs/dbraw/zinc/09/38/41/485093841.db2.gz WKQKSMMLPFBZPC-IKGGRYGDSA-N 2 0 355.527 -0.034 20 0 FBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000554506327 485093662 /nfs/dbraw/zinc/09/36/62/485093662.db2.gz WKQKSMMLPFBZPC-ULQDDVLXSA-N 2 0 355.527 -0.034 20 0 FBADRP C[C@H](CNC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C)C[NH+]1CCN(C)CC1 ZINC000554506328 485094306 /nfs/dbraw/zinc/09/43/06/485094306.db2.gz WKQKSMMLPFBZPC-ZACQAIPSSA-N 2 0 355.527 -0.034 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000554506788 485093826 /nfs/dbraw/zinc/09/38/26/485093826.db2.gz MDISPZDLHQHLFW-CVEARBPZSA-N 3 0 355.527 -0.073 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000554506791 485094159 /nfs/dbraw/zinc/09/41/59/485094159.db2.gz MDISPZDLHQHLFW-HOTGVXAUSA-N 3 0 355.527 -0.073 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000554506792 485094384 /nfs/dbraw/zinc/09/43/84/485094384.db2.gz MDISPZDLHQHLFW-HZPDHXFCSA-N 3 0 355.527 -0.073 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000554506793 485094514 /nfs/dbraw/zinc/09/45/14/485094514.db2.gz MDISPZDLHQHLFW-JKSUJKDBSA-N 3 0 355.527 -0.073 20 0 FBADRP COc1ccc(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)nc1 ZINC000554541483 485095577 /nfs/dbraw/zinc/09/55/77/485095577.db2.gz QDPHKUISFSSJMN-UHFFFAOYSA-N 2 0 351.451 -0.342 20 0 FBADRP CC[NH+]1CCC(CNC(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000554584612 485097029 /nfs/dbraw/zinc/09/70/29/485097029.db2.gz LTRQWFYROPILHV-INIZCTEOSA-N 2 0 367.538 -0.166 20 0 FBADRP CC[NH+]1CCC(CNC(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000554584626 485097065 /nfs/dbraw/zinc/09/70/65/485097065.db2.gz LTRQWFYROPILHV-MRXNPFEDSA-N 2 0 367.538 -0.166 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000554912243 485109340 /nfs/dbraw/zinc/10/93/40/485109340.db2.gz DQMVLROCZYUCJP-UHFFFAOYSA-N 3 0 367.538 -0.071 20 0 FBADRP C[C@@H]1CN(C[C@H](O)C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)C[C@@H](C)O1 ZINC000555576742 485119961 /nfs/dbraw/zinc/11/99/61/485119961.db2.gz AYZJPLMLSKNPAX-JFIYKMOQSA-N 2 0 370.538 -0.154 20 0 FBADRP C[C@@H]1CN(C[C@@H](O)C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)C[C@H](C)O1 ZINC000555576743 485121358 /nfs/dbraw/zinc/12/13/58/485121358.db2.gz AYZJPLMLSKNPAX-JZXOWHBKSA-N 2 0 370.538 -0.154 20 0 FBADRP C[C@@H]1CN(C[C@@H](O)C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)C[C@@H](C)O1 ZINC000555576744 485121403 /nfs/dbraw/zinc/12/14/03/485121403.db2.gz AYZJPLMLSKNPAX-NUJGCVRESA-N 2 0 370.538 -0.154 20 0 FBADRP C[C@@H]1CN(C[C@H](O)C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)C[C@H](C)O1 ZINC000555576745 485121500 /nfs/dbraw/zinc/12/15/00/485121500.db2.gz AYZJPLMLSKNPAX-SOLBZPMBSA-N 2 0 370.538 -0.154 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000555613017 485122771 /nfs/dbraw/zinc/12/27/71/485122771.db2.gz DHCLVOBUHIWRKV-AWEZNQCLSA-N 2 0 353.511 -0.226 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000555613018 485122647 /nfs/dbraw/zinc/12/26/47/485122647.db2.gz DHCLVOBUHIWRKV-CQSZACIVSA-N 2 0 353.511 -0.226 20 0 FBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000555638624 485123143 /nfs/dbraw/zinc/12/31/43/485123143.db2.gz DTELBCTZKGIRFH-HNNXBMFYSA-N 2 0 367.494 -0.791 20 0 FBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000555638628 485123701 /nfs/dbraw/zinc/12/37/01/485123701.db2.gz DTELBCTZKGIRFH-OAHLLOKOSA-N 2 0 367.494 -0.791 20 0 FBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000555648765 485123371 /nfs/dbraw/zinc/12/33/71/485123371.db2.gz WNUDIZHJVROTRY-UHFFFAOYSA-N 2 0 367.538 -0.070 20 0 FBADRP C[NH+]1CCC(NC(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000555669013 485124797 /nfs/dbraw/zinc/12/47/97/485124797.db2.gz ZZERWMYAPNWTAD-UHFFFAOYSA-N 2 0 374.489 -0.340 20 0 FBADRP CC(C)[C@H](CNC(=O)C(=O)NC1CC[NH+](C)CC1)N1CC[NH+](C)CC1 ZINC000555675471 485124641 /nfs/dbraw/zinc/12/46/41/485124641.db2.gz JJJRNYAHHYUAFY-INIZCTEOSA-N 2 0 353.511 -0.415 20 0 FBADRP CC(C)[C@@H](CNC(=O)C(=O)NC1CC[NH+](C)CC1)N1CC[NH+](C)CC1 ZINC000555675472 485125174 /nfs/dbraw/zinc/12/51/74/485125174.db2.gz JJJRNYAHHYUAFY-MRXNPFEDSA-N 2 0 353.511 -0.415 20 0 FBADRP CC[NH+]1CCC(NC(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)CC1 ZINC000555703655 485126398 /nfs/dbraw/zinc/12/63/98/485126398.db2.gz IVSSCKZVOVGJNG-UHFFFAOYSA-N 2 0 354.495 -0.108 20 0 FBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NCCn2ccnc2)CC1 ZINC000555725239 485127323 /nfs/dbraw/zinc/12/73/23/485127323.db2.gz RLAJOYBQVQSHLX-HNNXBMFYSA-N 2 0 350.467 -0.611 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NCCn2ccnc2)CC1 ZINC000555725240 485128263 /nfs/dbraw/zinc/12/82/63/485128263.db2.gz RLAJOYBQVQSHLX-OAHLLOKOSA-N 2 0 350.467 -0.611 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1cn2ccsc2n1 ZINC000555781456 485129838 /nfs/dbraw/zinc/12/98/38/485129838.db2.gz LJKPJDJHDQOFRE-UHFFFAOYSA-N 2 0 366.491 -0.036 20 0 FBADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)CC1 ZINC000555860675 485132190 /nfs/dbraw/zinc/13/21/90/485132190.db2.gz NFFITAWDZQEAOI-INIZCTEOSA-N 2 0 353.511 -0.415 20 0 FBADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC000555860676 485132168 /nfs/dbraw/zinc/13/21/68/485132168.db2.gz NFFITAWDZQEAOI-MRXNPFEDSA-N 2 0 353.511 -0.415 20 0 FBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000555887352 485132711 /nfs/dbraw/zinc/13/27/11/485132711.db2.gz CVESGKUPEXAZNR-INIZCTEOSA-N 2 0 352.479 -0.044 20 0 FBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000555887353 485132637 /nfs/dbraw/zinc/13/26/37/485132637.db2.gz CVESGKUPEXAZNR-MRXNPFEDSA-N 2 0 352.479 -0.044 20 0 FBADRP CC(C)[C@@H](CNC(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1)N1CC[NH+](C)CC1 ZINC000555921026 485133295 /nfs/dbraw/zinc/13/32/95/485133295.db2.gz KQELHQKCKRTEHR-DOTOQJQBSA-N 2 0 367.538 -0.027 20 0 FBADRP CC(C)[C@@H](CNC(=O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1)N1CC[NH+](C)CC1 ZINC000555921027 485135177 /nfs/dbraw/zinc/13/51/77/485135177.db2.gz KQELHQKCKRTEHR-NVXWUHKLSA-N 2 0 367.538 -0.027 20 0 FBADRP CC(C)[C@H](CNC(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1)N1CC[NH+](C)CC1 ZINC000555921028 485134646 /nfs/dbraw/zinc/13/46/46/485134646.db2.gz KQELHQKCKRTEHR-RDJZCZTQSA-N 2 0 367.538 -0.027 20 0 FBADRP CC(C)[C@H](CNC(=O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1)N1CC[NH+](C)CC1 ZINC000555921029 485134530 /nfs/dbraw/zinc/13/45/30/485134530.db2.gz KQELHQKCKRTEHR-WBVHZDCISA-N 2 0 367.538 -0.027 20 0 FBADRP CC[N@H+](CCNC(=O)C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1)C1CC1 ZINC000555921396 485134758 /nfs/dbraw/zinc/13/47/58/485134758.db2.gz MBESEPWXXHMGKC-KRWDZBQOSA-N 2 0 367.538 -0.025 20 0 FBADRP CC[N@H+](CCNC(=O)C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1)C1CC1 ZINC000555921403 485135077 /nfs/dbraw/zinc/13/50/77/485135077.db2.gz MBESEPWXXHMGKC-QGZVFWFLSA-N 2 0 367.538 -0.025 20 0 FBADRP Cc1nc(NC[C@@](C)(O)C[NH+](C)C)cc(NC[C@](C)(O)C[NH+](C)C)[nH+]1 ZINC000555962029 484461337 /nfs/dbraw/zinc/46/13/37/484461337.db2.gz WTTPCLFRHTXURW-CALCHBBNSA-N 3 0 354.499 0.234 20 0 FBADRP Cc1nc(NC[C@@](C)(O)C[NH+](C)C)cc(NC[C@@](C)(O)C[NH+](C)C)[nH+]1 ZINC000555962038 484460356 /nfs/dbraw/zinc/46/03/56/484460356.db2.gz WTTPCLFRHTXURW-IAGOWNOFSA-N 3 0 354.499 0.234 20 0 FBADRP Cc1nc(NC[C@](C)(O)C[NH+](C)C)cc(NC[C@](C)(O)C[NH+](C)C)[nH+]1 ZINC000555962039 484461136 /nfs/dbraw/zinc/46/11/36/484461136.db2.gz WTTPCLFRHTXURW-IRXDYDNUSA-N 3 0 354.499 0.234 20 0 FBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000555965767 485135932 /nfs/dbraw/zinc/13/59/32/485135932.db2.gz WERBOLBJPPZYBG-UHFFFAOYSA-N 2 0 355.527 -0.073 20 0 FBADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000555975144 485136064 /nfs/dbraw/zinc/13/60/64/485136064.db2.gz GTWLBZXLTFFKOM-UHFFFAOYSA-N 2 0 365.522 -0.128 20 0 FBADRP COc1ncccc1CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000556003017 485136997 /nfs/dbraw/zinc/13/69/97/485136997.db2.gz SMMGPDCMEMVFCB-UHFFFAOYSA-N 2 0 351.451 -0.342 20 0 FBADRP CC[N@H+](CCNC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1)C(C)C ZINC000556015569 485137485 /nfs/dbraw/zinc/13/74/85/485137485.db2.gz ZMXAYHKEXJZCCO-UHFFFAOYSA-N 2 0 355.527 -0.025 20 0 FBADRP C[C@@H](CNC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1)[N@H+](C)C1CC1 ZINC000556017239 485136936 /nfs/dbraw/zinc/13/69/36/485136936.db2.gz NTRQUJVKKSNJCC-AWEZNQCLSA-N 2 0 353.511 -0.273 20 0 FBADRP C[C@H](CNC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1)[N@H+](C)C1CC1 ZINC000556017249 485136871 /nfs/dbraw/zinc/13/68/71/485136871.db2.gz NTRQUJVKKSNJCC-CQSZACIVSA-N 2 0 353.511 -0.273 20 0 FBADRP CC1CC[NH+](CCNC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000556064516 485138508 /nfs/dbraw/zinc/13/85/08/485138508.db2.gz FDHROMFLOWQPSC-UHFFFAOYSA-N 2 0 367.538 -0.023 20 0 FBADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)C1 ZINC000556084767 485139840 /nfs/dbraw/zinc/13/98/40/485139840.db2.gz YTSFBABGODJKSR-INIZCTEOSA-N 2 0 367.538 -0.023 20 0 FBADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)C1 ZINC000556084769 485140183 /nfs/dbraw/zinc/14/01/83/485140183.db2.gz YTSFBABGODJKSR-MRXNPFEDSA-N 2 0 367.538 -0.023 20 0 FBADRP CN(C)c1ccc(CNC(=O)C(=O)N2CCN(CC(C)(C)O)CC2)cn1 ZINC000556088392 485139678 /nfs/dbraw/zinc/13/96/78/485139678.db2.gz KGYAIVREEXBQMV-UHFFFAOYSA-N 2 0 363.462 -0.321 20 0 FBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000556168330 485143761 /nfs/dbraw/zinc/14/37/61/485143761.db2.gz MBZXNWBMMWINRB-UHFFFAOYSA-N 2 0 353.511 -0.317 20 0 FBADRP CN1CC[NH+](CCCCNC(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000556169381 485143364 /nfs/dbraw/zinc/14/33/64/485143364.db2.gz AMWDNMPWCDQAFC-INIZCTEOSA-N 2 0 353.511 -0.317 20 0 FBADRP CN1CC[NH+](CCCCNC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000556169382 485143268 /nfs/dbraw/zinc/14/32/68/485143268.db2.gz AMWDNMPWCDQAFC-MRXNPFEDSA-N 2 0 353.511 -0.317 20 0 FBADRP O=C(NCCCC[NH+]1CCOCC1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000556169978 485144640 /nfs/dbraw/zinc/14/46/40/485144640.db2.gz CKWRWYTZIFDCIZ-UHFFFAOYSA-N 2 0 352.479 -0.042 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000556171487 485145080 /nfs/dbraw/zinc/14/50/80/485145080.db2.gz SSBIHVFKNBLNFQ-INIZCTEOSA-N 2 0 353.511 -0.269 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000556171489 485144837 /nfs/dbraw/zinc/14/48/37/485144837.db2.gz SSBIHVFKNBLNFQ-MRXNPFEDSA-N 2 0 353.511 -0.269 20 0 FBADRP CN1CC[NH+](CCCCNC(=O)C(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000556172338 485144809 /nfs/dbraw/zinc/14/48/09/485144809.db2.gz WJEYHFWEIXTYQS-UHFFFAOYSA-N 2 0 367.538 -0.022 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000556202528 485146023 /nfs/dbraw/zinc/14/60/23/485146023.db2.gz TXDGUQGIGLDKRZ-KRWDZBQOSA-N 3 0 373.567 -0.508 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000556202529 485145763 /nfs/dbraw/zinc/14/57/63/485145763.db2.gz TXDGUQGIGLDKRZ-QGZVFWFLSA-N 3 0 373.567 -0.508 20 0 FBADRP COCC[NH+]1CCC(NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000556204075 485145894 /nfs/dbraw/zinc/14/58/94/485145894.db2.gz IJKFFVFTFJDVNR-KRWDZBQOSA-N 2 0 372.535 -0.233 20 0 FBADRP COCC[NH+]1CCC(NC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000556204076 485146556 /nfs/dbraw/zinc/14/65/56/485146556.db2.gz IJKFFVFTFJDVNR-QGZVFWFLSA-N 2 0 372.535 -0.233 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCc2n[nH]cc2C1 ZINC000556238244 485146921 /nfs/dbraw/zinc/14/69/21/485146921.db2.gz RYLMCANLLLNTCC-AWEZNQCLSA-N 2 0 350.467 -0.665 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC000556238245 485146994 /nfs/dbraw/zinc/14/69/94/485146994.db2.gz RYLMCANLLLNTCC-CQSZACIVSA-N 2 0 350.467 -0.665 20 0 FBADRP C[C@H](CN1CCOCC1)N(C)C(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000556240229 485147538 /nfs/dbraw/zinc/14/75/38/485147538.db2.gz IJHHNZFHSVSXCR-CABCVRRESA-N 2 0 352.479 -0.234 20 0 FBADRP C[C@H](Cn1ccnc1)NC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000556311472 483527092 /nfs/dbraw/zinc/52/70/92/483527092.db2.gz JDEIEZCIOUBZFO-OAHLLOKOSA-N 2 0 363.462 -0.041 20 0 FBADRP C[C@@H](CNC(=O)C(=O)N(C)CCC[NH+]1CCCC1)C[NH+]1CCN(C)CC1 ZINC000556348730 483592855 /nfs/dbraw/zinc/59/28/55/483592855.db2.gz SYXRUFJSZOXMBW-KRWDZBQOSA-N 2 0 367.538 -0.070 20 0 FBADRP C[C@H](CNC(=O)C(=O)N(C)CCC[NH+]1CCCC1)C[NH+]1CCN(C)CC1 ZINC000556348731 483592732 /nfs/dbraw/zinc/59/27/32/483592732.db2.gz SYXRUFJSZOXMBW-QGZVFWFLSA-N 2 0 367.538 -0.070 20 0 FBADRP C[C@H](CNC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1)C[NH+]1CCN(C)CC1 ZINC000556353102 483593884 /nfs/dbraw/zinc/59/38/84/483593884.db2.gz JORMNQBZDDWONO-CVEARBPZSA-N 2 0 353.511 -0.461 20 0 FBADRP C[C@@H](CNC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1)C[NH+]1CCN(C)CC1 ZINC000556353103 483594380 /nfs/dbraw/zinc/59/43/80/483594380.db2.gz JORMNQBZDDWONO-HOTGVXAUSA-N 2 0 353.511 -0.461 20 0 FBADRP C[C@H](CNC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1)C[NH+]1CCN(C)CC1 ZINC000556353104 483594318 /nfs/dbraw/zinc/59/43/18/483594318.db2.gz JORMNQBZDDWONO-HZPDHXFCSA-N 2 0 353.511 -0.461 20 0 FBADRP C[C@@H](CNC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1)C[NH+]1CCN(C)CC1 ZINC000556353105 483594494 /nfs/dbraw/zinc/59/44/94/483594494.db2.gz JORMNQBZDDWONO-JKSUJKDBSA-N 2 0 353.511 -0.461 20 0 FBADRP C[C@H](CNC(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1)C[NH+]1CCN(C)CC1 ZINC000556356622 483595302 /nfs/dbraw/zinc/59/53/02/483595302.db2.gz MWBIPNVSDGNUJP-CABCVRRESA-N 2 0 353.511 -0.415 20 0 FBADRP C[C@@H](CNC(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1)C[NH+]1CCN(C)CC1 ZINC000556356623 483595742 /nfs/dbraw/zinc/59/57/42/483595742.db2.gz MWBIPNVSDGNUJP-GJZGRUSLSA-N 2 0 353.511 -0.415 20 0 FBADRP C[C@H](CNC(=O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1)C[NH+]1CCN(C)CC1 ZINC000556356624 483595598 /nfs/dbraw/zinc/59/55/98/483595598.db2.gz MWBIPNVSDGNUJP-HUUCEWRRSA-N 2 0 353.511 -0.415 20 0 FBADRP C[C@H](CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)[N@H+](C)C1CC1 ZINC000556356625 483594956 /nfs/dbraw/zinc/59/49/56/483594956.db2.gz MWBIPNVSDGNUJP-LSDHHAIUSA-N 2 0 353.511 -0.415 20 0 FBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NC[C@H]2CCC[N@@H+]2CC)CC1 ZINC000556357086 483595322 /nfs/dbraw/zinc/59/53/22/483595322.db2.gz ZXQGLMTVEHMVQG-DLBZAZTESA-N 2 0 367.538 -0.023 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NC[C@H]2CCC[N@@H+]2CC)CC1 ZINC000556357087 483595491 /nfs/dbraw/zinc/59/54/91/483595491.db2.gz ZXQGLMTVEHMVQG-IAGOWNOFSA-N 2 0 367.538 -0.023 20 0 FBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2CC)CC1 ZINC000556357089 483595666 /nfs/dbraw/zinc/59/56/66/483595666.db2.gz ZXQGLMTVEHMVQG-IRXDYDNUSA-N 2 0 367.538 -0.023 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2CC)CC1 ZINC000556357091 483595378 /nfs/dbraw/zinc/59/53/78/483595378.db2.gz ZXQGLMTVEHMVQG-SJORKVTESA-N 2 0 367.538 -0.023 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@@H](C)CC[NH+](C)C)CC1 ZINC000556368569 483596958 /nfs/dbraw/zinc/59/69/58/483596958.db2.gz DTDSYBTYPQDLHJ-CVEARBPZSA-N 2 0 355.527 -0.167 20 0 FBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N[C@@H](C)CC[NH+](C)C)CC1 ZINC000556368570 483596592 /nfs/dbraw/zinc/59/65/92/483596592.db2.gz DTDSYBTYPQDLHJ-HOTGVXAUSA-N 2 0 355.527 -0.167 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@H](C)CC[NH+](C)C)CC1 ZINC000556368571 483596567 /nfs/dbraw/zinc/59/65/67/483596567.db2.gz DTDSYBTYPQDLHJ-HZPDHXFCSA-N 2 0 355.527 -0.167 20 0 FBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N[C@H](C)CC[NH+](C)C)CC1 ZINC000556368572 483597235 /nfs/dbraw/zinc/59/72/35/483597235.db2.gz DTDSYBTYPQDLHJ-JKSUJKDBSA-N 2 0 355.527 -0.167 20 0 FBADRP CCC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000556369249 483596236 /nfs/dbraw/zinc/59/62/36/483596236.db2.gz RMHAVPKFCWZUTC-INIZCTEOSA-N 2 0 367.538 -0.023 20 0 FBADRP CCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000556369252 483597214 /nfs/dbraw/zinc/59/72/14/483597214.db2.gz RMHAVPKFCWZUTC-MRXNPFEDSA-N 2 0 367.538 -0.023 20 0 FBADRP C[C@@H](CNC(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1)C[NH+]1CCCC1 ZINC000556371073 483601281 /nfs/dbraw/zinc/60/12/81/483601281.db2.gz PSHMRMPBYFPHMN-KRWDZBQOSA-N 2 0 367.538 -0.070 20 0 FBADRP C[C@H](CNC(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1)C[NH+]1CCCC1 ZINC000556371074 483600706 /nfs/dbraw/zinc/60/07/06/483600706.db2.gz PSHMRMPBYFPHMN-QGZVFWFLSA-N 2 0 367.538 -0.070 20 0 FBADRP C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)C[NH+]1CCN(C)CC1 ZINC000556371190 483600900 /nfs/dbraw/zinc/60/09/00/483600900.db2.gz SFYYMTDKACMADH-BRWVUGGUSA-N 2 0 367.538 -0.025 20 0 FBADRP C[C@H](CNC(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)C[NH+]1CCN(C)CC1 ZINC000556371192 483601866 /nfs/dbraw/zinc/60/18/66/483601866.db2.gz SFYYMTDKACMADH-IKGGRYGDSA-N 2 0 367.538 -0.025 20 0 FBADRP C[C@H](CNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)C[NH+]1CCN(C)CC1 ZINC000556371193 483601153 /nfs/dbraw/zinc/60/11/53/483601153.db2.gz SFYYMTDKACMADH-IXDOHACOSA-N 2 0 367.538 -0.025 20 0 FBADRP C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)C[NH+]1CCN(C)CC1 ZINC000556371195 483601218 /nfs/dbraw/zinc/60/12/18/483601218.db2.gz SFYYMTDKACMADH-ZACQAIPSSA-N 2 0 367.538 -0.025 20 0 FBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000556371751 483601305 /nfs/dbraw/zinc/60/13/05/483601305.db2.gz SOVKSORTZIGHQD-DLBZAZTESA-N 2 0 367.538 -0.071 20 0 FBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000556371753 483601709 /nfs/dbraw/zinc/60/17/09/483601709.db2.gz SOVKSORTZIGHQD-IAGOWNOFSA-N 2 0 367.538 -0.071 20 0 FBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000556371754 483601115 /nfs/dbraw/zinc/60/11/15/483601115.db2.gz SOVKSORTZIGHQD-IRXDYDNUSA-N 2 0 367.538 -0.071 20 0 FBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000556371755 483601674 /nfs/dbraw/zinc/60/16/74/483601674.db2.gz SOVKSORTZIGHQD-SJORKVTESA-N 2 0 367.538 -0.071 20 0 FBADRP O=C(Cn1ccc(=O)[nH]c1=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000556624316 483647677 /nfs/dbraw/zinc/64/76/77/483647677.db2.gz BYBMDHOCTBYGPE-UHFFFAOYSA-N 2 0 372.429 -0.328 20 0 FBADRP CCS(=O)(=O)N1CCC[C@H](C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000556690015 483653042 /nfs/dbraw/zinc/65/30/42/483653042.db2.gz MJGDXZHGWUPFLK-HNNXBMFYSA-N 2 0 362.540 0.000 20 0 FBADRP CCS(=O)(=O)N1CCC[C@@H](C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000556690016 483652372 /nfs/dbraw/zinc/65/23/72/483652372.db2.gz MJGDXZHGWUPFLK-OAHLLOKOSA-N 2 0 362.540 0.000 20 0 FBADRP CCOC(=O)[C@H]1CCCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000556795354 483658990 /nfs/dbraw/zinc/65/89/90/483658990.db2.gz GGZDVSRTXQDUQG-HNNXBMFYSA-N 2 0 370.494 -0.260 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[C@H](C2CC2)O1 ZINC000556795425 483658501 /nfs/dbraw/zinc/65/85/01/483658501.db2.gz YCJMELWCDKLJML-GDBMZVCRSA-N 2 0 354.495 -0.036 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[C@H](C2CC2)O1 ZINC000556795427 483659112 /nfs/dbraw/zinc/65/91/12/483659112.db2.gz YCJMELWCDKLJML-GOEBONIOSA-N 2 0 354.495 -0.036 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[C@@H](C2CC2)O1 ZINC000556795428 483658517 /nfs/dbraw/zinc/65/85/17/483658517.db2.gz YCJMELWCDKLJML-HOCLYGCPSA-N 2 0 354.495 -0.036 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[C@@H](C2CC2)O1 ZINC000556795429 483659259 /nfs/dbraw/zinc/65/92/59/483659259.db2.gz YCJMELWCDKLJML-ZBFHGGJFSA-N 2 0 354.495 -0.036 20 0 FBADRP CNC(=O)C1CCC(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000556996983 483665986 /nfs/dbraw/zinc/66/59/86/483665986.db2.gz NOCPWTDDXCLFLB-UHFFFAOYSA-N 2 0 369.510 -0.641 20 0 FBADRP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000556999795 483666263 /nfs/dbraw/zinc/66/62/63/483666263.db2.gz LIPMPQXIMKYNHE-HNNXBMFYSA-N 2 0 352.479 -0.044 20 0 FBADRP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000556999798 483666067 /nfs/dbraw/zinc/66/60/67/483666067.db2.gz LIPMPQXIMKYNHE-OAHLLOKOSA-N 2 0 352.479 -0.044 20 0 FBADRP C[NH+]1CCC(CCNC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000557090008 483668068 /nfs/dbraw/zinc/66/80/68/483668068.db2.gz LXVMTGKVSZWIQT-UHFFFAOYSA-N 2 0 367.538 -0.023 20 0 FBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000557140081 483669823 /nfs/dbraw/zinc/66/98/23/483669823.db2.gz ZYOFXVTWZLTDJU-CABCVRRESA-N 2 0 354.499 -0.787 20 0 FBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000557140087 483669722 /nfs/dbraw/zinc/66/97/22/483669722.db2.gz ZYOFXVTWZLTDJU-GJZGRUSLSA-N 2 0 354.499 -0.787 20 0 FBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000557140088 483669798 /nfs/dbraw/zinc/66/97/98/483669798.db2.gz ZYOFXVTWZLTDJU-HUUCEWRRSA-N 2 0 354.499 -0.787 20 0 FBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000557140090 483670114 /nfs/dbraw/zinc/67/01/14/483670114.db2.gz ZYOFXVTWZLTDJU-LSDHHAIUSA-N 2 0 354.499 -0.787 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1nccn1C(F)F ZINC000557200721 483671059 /nfs/dbraw/zinc/67/10/59/483671059.db2.gz ZVLCZLXMFFFMKO-UHFFFAOYSA-N 2 0 360.409 -0.154 20 0 FBADRP CC[N@H+](CCNC(=O)NCC(=O)N1CC[NH2+]CC1)CCC(F)(F)F ZINC000557205478 483671486 /nfs/dbraw/zinc/67/14/86/483671486.db2.gz VYSZLWDDVJMZEW-UHFFFAOYSA-N 2 0 353.389 -0.008 20 0 FBADRP CC[NH+](CC)CCOC1CCN(C(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000557210644 483671793 /nfs/dbraw/zinc/67/17/93/483671793.db2.gz DKAUJAWWESZGDE-UHFFFAOYSA-N 2 0 369.510 -0.049 20 0 FBADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+])c1ccco1 ZINC000557242200 483672990 /nfs/dbraw/zinc/67/29/90/483672990.db2.gz CGLCFVQINLCYCX-CABCVRRESA-N 2 0 365.478 -0.120 20 0 FBADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+])c1ccco1 ZINC000557242201 483672982 /nfs/dbraw/zinc/67/29/82/483672982.db2.gz CGLCFVQINLCYCX-GJZGRUSLSA-N 2 0 365.478 -0.120 20 0 FBADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+])c1ccco1 ZINC000557242202 483672814 /nfs/dbraw/zinc/67/28/14/483672814.db2.gz CGLCFVQINLCYCX-HUUCEWRRSA-N 2 0 365.478 -0.120 20 0 FBADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+])c1ccco1 ZINC000557242204 483672633 /nfs/dbraw/zinc/67/26/33/483672633.db2.gz CGLCFVQINLCYCX-LSDHHAIUSA-N 2 0 365.478 -0.120 20 0 FBADRP C[C@H](NC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000557245660 483673842 /nfs/dbraw/zinc/67/38/42/483673842.db2.gz XIAJBKUWTFCJFM-UXLLHSPISA-N 2 0 365.522 -0.143 20 0 FBADRP C[C@H](NC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000557245668 483674037 /nfs/dbraw/zinc/67/40/37/483674037.db2.gz XIAJBKUWTFCJFM-YQQAZPJKSA-N 2 0 365.522 -0.143 20 0 FBADRP C[C@H](NC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000557245670 483673987 /nfs/dbraw/zinc/67/39/87/483673987.db2.gz XIAJBKUWTFCJFM-ZMSDIMECSA-N 2 0 365.522 -0.143 20 0 FBADRP C[C@H](NC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000557245672 483673406 /nfs/dbraw/zinc/67/34/06/483673406.db2.gz XIAJBKUWTFCJFM-ZOBUZTSGSA-N 2 0 365.522 -0.143 20 0 FBADRP CC[NH+]1CCC(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000557257604 483673543 /nfs/dbraw/zinc/67/35/43/483673543.db2.gz HAKVEMCMRVQBGY-AWEZNQCLSA-N 2 0 367.494 -0.710 20 0 FBADRP CC[NH+]1CCC(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000557257605 483673975 /nfs/dbraw/zinc/67/39/75/483673975.db2.gz HAKVEMCMRVQBGY-CQSZACIVSA-N 2 0 367.494 -0.710 20 0 FBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000557258007 483674723 /nfs/dbraw/zinc/67/47/23/483674723.db2.gz AIYJUGMBHWDSNT-KBPBESRZSA-N 2 0 355.483 -0.854 20 0 FBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000557258008 483674992 /nfs/dbraw/zinc/67/49/92/483674992.db2.gz AIYJUGMBHWDSNT-KGLIPLIRSA-N 2 0 355.483 -0.854 20 0 FBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000557258009 483674998 /nfs/dbraw/zinc/67/49/98/483674998.db2.gz AIYJUGMBHWDSNT-UONOGXRCSA-N 2 0 355.483 -0.854 20 0 FBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000557258011 483674954 /nfs/dbraw/zinc/67/49/54/483674954.db2.gz AIYJUGMBHWDSNT-ZIAGYGMSSA-N 2 0 355.483 -0.854 20 0 FBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)N[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000557258394 483674894 /nfs/dbraw/zinc/67/48/94/483674894.db2.gz AGUXWOPOUAMVQX-KBPBESRZSA-N 2 0 365.478 -0.957 20 0 FBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000557258409 483674575 /nfs/dbraw/zinc/67/45/75/483674575.db2.gz AGUXWOPOUAMVQX-KGLIPLIRSA-N 2 0 365.478 -0.957 20 0 FBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)N[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000557258411 483675014 /nfs/dbraw/zinc/67/50/14/483675014.db2.gz AGUXWOPOUAMVQX-UONOGXRCSA-N 2 0 365.478 -0.957 20 0 FBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000557258413 483675037 /nfs/dbraw/zinc/67/50/37/483675037.db2.gz AGUXWOPOUAMVQX-ZIAGYGMSSA-N 2 0 365.478 -0.957 20 0 FBADRP C[C@@H](CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)[NH+](C)C1CC1 ZINC000557263557 483674861 /nfs/dbraw/zinc/67/48/61/483674861.db2.gz SUIMJDJMNHOSRF-KBPBESRZSA-N 2 0 367.494 -0.711 20 0 FBADRP C[C@H](CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)[NH+](C)C1CC1 ZINC000557263561 483674539 /nfs/dbraw/zinc/67/45/39/483674539.db2.gz SUIMJDJMNHOSRF-KGLIPLIRSA-N 2 0 367.494 -0.711 20 0 FBADRP C[C@@H](CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)[NH+](C)C1CC1 ZINC000557263562 483674876 /nfs/dbraw/zinc/67/48/76/483674876.db2.gz SUIMJDJMNHOSRF-UONOGXRCSA-N 2 0 367.494 -0.711 20 0 FBADRP C[C@H](CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)[NH+](C)C1CC1 ZINC000557263565 483674748 /nfs/dbraw/zinc/67/47/48/483674748.db2.gz SUIMJDJMNHOSRF-ZIAGYGMSSA-N 2 0 367.494 -0.711 20 0 FBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000557268901 483674434 /nfs/dbraw/zinc/67/44/34/483674434.db2.gz SGGRFPBUOAKKBL-HNNXBMFYSA-N 2 0 369.510 -0.511 20 0 FBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000557268902 483674524 /nfs/dbraw/zinc/67/45/24/483674524.db2.gz SGGRFPBUOAKKBL-OAHLLOKOSA-N 2 0 369.510 -0.511 20 0 FBADRP CN1CCN(C(=O)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)[C@H](C[NH3+])C1 ZINC000557278853 483676305 /nfs/dbraw/zinc/67/63/05/483676305.db2.gz BMIHTHJSXMXJJC-GOSISDBHSA-N 2 0 373.501 -0.132 20 0 FBADRP CN1CCN(C(=O)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)[C@@H](C[NH3+])C1 ZINC000557278855 483676209 /nfs/dbraw/zinc/67/62/09/483676209.db2.gz BMIHTHJSXMXJJC-SFHVURJKSA-N 2 0 373.501 -0.132 20 0 FBADRP CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000557310478 483677523 /nfs/dbraw/zinc/67/75/23/483677523.db2.gz MHRREPTVRLCONU-UHFFFAOYSA-N 2 0 353.511 -0.269 20 0 FBADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000557318992 483677248 /nfs/dbraw/zinc/67/72/48/483677248.db2.gz OLVAVWHLYCVCBD-UHFFFAOYSA-N 2 0 369.510 -0.639 20 0 FBADRP CC[N@H+](CCNC(=O)C(=O)N1CC[C@H](N2CC[NH+](CC)CC2)C1)C1CC1 ZINC000557379360 483678877 /nfs/dbraw/zinc/67/88/77/483678877.db2.gz CWJDXAOVCZNTKD-KRWDZBQOSA-N 2 0 365.522 -0.175 20 0 FBADRP CC[N@H+](CCNC(=O)C(=O)N1CC[C@@H](N2CC[NH+](CC)CC2)C1)C1CC1 ZINC000557379361 483678917 /nfs/dbraw/zinc/67/89/17/483678917.db2.gz CWJDXAOVCZNTKD-QGZVFWFLSA-N 2 0 365.522 -0.175 20 0 FBADRP CC[N@H+](CCNC(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1)C1CC1 ZINC000557380025 483679062 /nfs/dbraw/zinc/67/90/62/483679062.db2.gz QVWQAJJBLGHHMA-UHFFFAOYSA-N 2 0 353.511 -0.317 20 0 FBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000557381070 483678533 /nfs/dbraw/zinc/67/85/33/483678533.db2.gz NWPZTBIEGFXTFZ-HNNXBMFYSA-N 2 0 355.527 -0.025 20 0 FBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000557381075 483678506 /nfs/dbraw/zinc/67/85/06/483678506.db2.gz NWPZTBIEGFXTFZ-OAHLLOKOSA-N 2 0 355.527 -0.025 20 0 FBADRP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000557478415 483681520 /nfs/dbraw/zinc/68/15/20/483681520.db2.gz FTECCKBRJXZFHV-GDBMZVCRSA-N 2 0 370.519 -0.146 20 0 FBADRP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000557478416 483681332 /nfs/dbraw/zinc/68/13/32/483681332.db2.gz FTECCKBRJXZFHV-GOEBONIOSA-N 2 0 370.519 -0.146 20 0 FBADRP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000557478417 483681191 /nfs/dbraw/zinc/68/11/91/483681191.db2.gz FTECCKBRJXZFHV-HOCLYGCPSA-N 2 0 370.519 -0.146 20 0 FBADRP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000557478418 483681471 /nfs/dbraw/zinc/68/14/71/483681471.db2.gz FTECCKBRJXZFHV-ZBFHGGJFSA-N 2 0 370.519 -0.146 20 0 FBADRP COCC[NH+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000557491247 483681956 /nfs/dbraw/zinc/68/19/56/483681956.db2.gz CMEKLTUHMHLVKO-CABCVRRESA-N 2 0 356.467 -0.950 20 0 FBADRP COCC[NH+]1CCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000557491251 483682050 /nfs/dbraw/zinc/68/20/50/483682050.db2.gz CMEKLTUHMHLVKO-GJZGRUSLSA-N 2 0 356.467 -0.950 20 0 FBADRP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000557491253 483682008 /nfs/dbraw/zinc/68/20/08/483682008.db2.gz CMEKLTUHMHLVKO-HUUCEWRRSA-N 2 0 356.467 -0.950 20 0 FBADRP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000557491255 483681850 /nfs/dbraw/zinc/68/18/50/483681850.db2.gz CMEKLTUHMHLVKO-LSDHHAIUSA-N 2 0 356.467 -0.950 20 0 FBADRP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+](CCOC)C2)CC1 ZINC000557492080 483681906 /nfs/dbraw/zinc/68/19/06/483681906.db2.gz YFQDGEZRGQBGLS-INIZCTEOSA-N 2 0 370.494 -0.560 20 0 FBADRP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+](CCOC)C2)CC1 ZINC000557492081 483681902 /nfs/dbraw/zinc/68/19/02/483681902.db2.gz YFQDGEZRGQBGLS-MRXNPFEDSA-N 2 0 370.494 -0.560 20 0 FBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000557494769 483682536 /nfs/dbraw/zinc/68/25/36/483682536.db2.gz LDGMSZXMGGYRCZ-ARFHVFGLSA-N 2 0 352.479 -0.234 20 0 FBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000557494770 483682842 /nfs/dbraw/zinc/68/28/42/483682842.db2.gz LDGMSZXMGGYRCZ-BZUAXINKSA-N 2 0 352.479 -0.234 20 0 FBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000557494771 483682860 /nfs/dbraw/zinc/68/28/60/483682860.db2.gz LDGMSZXMGGYRCZ-OAGGEKHMSA-N 2 0 352.479 -0.234 20 0 FBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000557494772 483682875 /nfs/dbraw/zinc/68/28/75/483682875.db2.gz LDGMSZXMGGYRCZ-XHSDSOJGSA-N 2 0 352.479 -0.234 20 0 FBADRP C[C@@H](CNC(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1)[N@H+](C)C1CC1 ZINC000557561350 483685412 /nfs/dbraw/zinc/68/54/12/483685412.db2.gz IXUZOIMCYMMVSZ-HNNXBMFYSA-N 2 0 353.511 -0.319 20 0 FBADRP C[C@H](CNC(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1)[N@H+](C)C1CC1 ZINC000557561351 483685346 /nfs/dbraw/zinc/68/53/46/483685346.db2.gz IXUZOIMCYMMVSZ-OAHLLOKOSA-N 2 0 353.511 -0.319 20 0 FBADRP CC(C)Nc1nc(NC[C@@]2([NH+](C)C)CCSC2)nc(NCCO)[nH+]1 ZINC000557630019 483686744 /nfs/dbraw/zinc/68/67/44/483686744.db2.gz DKGKUAJVEKAFSP-HNNXBMFYSA-N 2 0 355.512 -0.789 20 0 FBADRP CC(C)Nc1nc(NC[C@]2([NH+](C)C)CCSC2)nc(NCCO)[nH+]1 ZINC000557630023 483686656 /nfs/dbraw/zinc/68/66/56/483686656.db2.gz DKGKUAJVEKAFSP-OAHLLOKOSA-N 2 0 355.512 -0.789 20 0 FBADRP C[C@H]1CN(c2cncc(N3CC[N@H+](CCO)[C@@H](C)C3)n2)CC[NH+]1CCO ZINC000557657775 483687171 /nfs/dbraw/zinc/68/71/71/483687171.db2.gz RLXOTAHUOWXLCB-HOTGVXAUSA-N 2 0 364.494 -0.518 20 0 FBADRP C[C@@H]1CN(c2cncc(N3CC[N@H+](CCO)[C@H](C)C3)n2)CC[NH+]1CCO ZINC000557657780 483687643 /nfs/dbraw/zinc/68/76/43/483687643.db2.gz RLXOTAHUOWXLCB-HZPDHXFCSA-N 2 0 364.494 -0.518 20 0 FBADRP C[C@H](O)C[NH+]1CCN(c2cncc(N3CC[NH+](C[C@H](C)O)CC3)n2)CC1 ZINC000557661588 483687277 /nfs/dbraw/zinc/68/72/77/483687277.db2.gz VLBCWZCXWPQYHG-HOTGVXAUSA-N 2 0 364.494 -0.518 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000557766676 483691327 /nfs/dbraw/zinc/69/13/27/483691327.db2.gz HXUNOKDEIFDFHP-CVEARBPZSA-N 2 0 352.479 -0.232 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000557766677 483691238 /nfs/dbraw/zinc/69/12/38/483691238.db2.gz HXUNOKDEIFDFHP-HOTGVXAUSA-N 2 0 352.479 -0.232 20 0 FBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000557766678 483691344 /nfs/dbraw/zinc/69/13/44/483691344.db2.gz HXUNOKDEIFDFHP-HZPDHXFCSA-N 2 0 352.479 -0.232 20 0 FBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000557766679 483691291 /nfs/dbraw/zinc/69/12/91/483691291.db2.gz HXUNOKDEIFDFHP-JKSUJKDBSA-N 2 0 352.479 -0.232 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC1CCC2(CC1)NC(=O)NC2=O ZINC000557851583 483695650 /nfs/dbraw/zinc/69/56/50/483695650.db2.gz WJVWZEUETQUZIB-UHFFFAOYSA-N 2 0 368.482 -0.358 20 0 FBADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NCCOCC[NH+](C)C ZINC000557959041 483697723 /nfs/dbraw/zinc/69/77/23/483697723.db2.gz AHAZIIINOVOLFQ-HNNXBMFYSA-N 2 0 370.494 -0.608 20 0 FBADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000558207099 483705914 /nfs/dbraw/zinc/70/59/14/483705914.db2.gz IDPALNVTXMAVHX-INIZCTEOSA-N 2 0 353.511 -0.317 20 0 FBADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000558207101 483705972 /nfs/dbraw/zinc/70/59/72/483705972.db2.gz IDPALNVTXMAVHX-MRXNPFEDSA-N 2 0 353.511 -0.317 20 0 FBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2C[NH+](C)CCN2C)C[C@@H]1C ZINC000558215624 483706511 /nfs/dbraw/zinc/70/65/11/483706511.db2.gz AJNCGPZLQVKMNX-HRCADAONSA-N 2 0 353.511 -0.320 20 0 FBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2C[NH+](C)CCN2C)C[C@@H]1C ZINC000558215627 483706258 /nfs/dbraw/zinc/70/62/58/483706258.db2.gz AJNCGPZLQVKMNX-JYJNAYRXSA-N 2 0 353.511 -0.320 20 0 FBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2C[NH+](C)CCN2C)C[C@H]1C ZINC000558215629 483706688 /nfs/dbraw/zinc/70/66/88/483706688.db2.gz AJNCGPZLQVKMNX-OWCLPIDISA-N 2 0 353.511 -0.320 20 0 FBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2C[NH+](C)CCN2C)C[C@H]1C ZINC000558215632 483706291 /nfs/dbraw/zinc/70/62/91/483706291.db2.gz AJNCGPZLQVKMNX-PMPSAXMXSA-N 2 0 353.511 -0.320 20 0 FBADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H]2C[NH+](C)CCN2C)C1 ZINC000558218221 483707474 /nfs/dbraw/zinc/70/74/74/483707474.db2.gz MWYYYJBKQQBWET-CVEARBPZSA-N 2 0 353.511 -0.461 20 0 FBADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[NH+](C)CCN2C)C1 ZINC000558218224 483707428 /nfs/dbraw/zinc/70/74/28/483707428.db2.gz MWYYYJBKQQBWET-HOTGVXAUSA-N 2 0 353.511 -0.461 20 0 FBADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@H]2C[NH+](C)CCN2C)C1 ZINC000558218225 483707172 /nfs/dbraw/zinc/70/71/72/483707172.db2.gz MWYYYJBKQQBWET-HZPDHXFCSA-N 2 0 353.511 -0.461 20 0 FBADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[NH+](C)CCN2C)C1 ZINC000558218226 483707094 /nfs/dbraw/zinc/70/70/94/483707094.db2.gz MWYYYJBKQQBWET-JKSUJKDBSA-N 2 0 353.511 -0.461 20 0 FBADRP CCCN(CC[NH+](CC)CC)C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000558218638 483707621 /nfs/dbraw/zinc/70/76/21/483707621.db2.gz UCLHFDKYGKYUCI-INIZCTEOSA-N 2 0 355.527 -0.071 20 0 FBADRP CCCN(CC[NH+](CC)CC)C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000558218639 483707610 /nfs/dbraw/zinc/70/76/10/483707610.db2.gz UCLHFDKYGKYUCI-MRXNPFEDSA-N 2 0 355.527 -0.071 20 0 FBADRP CC[NH+]1CCN(CC(=O)NCC(=O)NCC[NH+]2CCCCCC2)CC1 ZINC000558350587 483715710 /nfs/dbraw/zinc/71/57/10/483715710.db2.gz MNKWSHAYYNMTOU-UHFFFAOYSA-N 2 0 353.511 -0.268 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCCc2c[nH]nc21 ZINC000558402949 483718255 /nfs/dbraw/zinc/71/82/55/483718255.db2.gz MAMALRBEDSBMFW-AWEZNQCLSA-N 2 0 350.467 -0.145 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCCc2c[nH]nc21 ZINC000558402950 483718237 /nfs/dbraw/zinc/71/82/37/483718237.db2.gz MAMALRBEDSBMFW-CQSZACIVSA-N 2 0 350.467 -0.145 20 0 FBADRP C[C@@H](C(=O)N1CCOCC1)N1CCN(C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000558458446 657407324 /nfs/dbraw/zinc/40/73/24/657407324.db2.gz NPLOGNFIBXKAFJ-RDJZCZTQSA-N 2 0 354.495 -0.694 20 0 FBADRP C[C@H](C(=O)N1CCOCC1)N1CCN(C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000558458448 657407596 /nfs/dbraw/zinc/40/75/96/657407596.db2.gz NPLOGNFIBXKAFJ-WBVHZDCISA-N 2 0 354.495 -0.694 20 0 FBADRP Cc1nc(Cn2cc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)nn2)no1 ZINC000558690267 661651033 /nfs/dbraw/zinc/65/10/33/661651033.db2.gz DRDBTENVXABXBY-UHFFFAOYSA-N 2 0 350.427 -0.417 20 0 FBADRP C[C@@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)C[NH+]1CCN(C)CC1 ZINC000559285715 483769223 /nfs/dbraw/zinc/76/92/23/483769223.db2.gz WSNAQPUSAXQFLT-BBWFWOEESA-N 2 0 365.522 -0.319 20 0 FBADRP C[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)C[NH+]1CCN(C)CC1 ZINC000559285724 483769281 /nfs/dbraw/zinc/76/92/81/483769281.db2.gz WSNAQPUSAXQFLT-ZACQAIPSSA-N 2 0 365.522 -0.319 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1nnc2ccccn21 ZINC000559292593 483769546 /nfs/dbraw/zinc/76/95/46/483769546.db2.gz FUBXSNVALUVDKL-UHFFFAOYSA-N 2 0 361.450 -0.703 20 0 FBADRP CC[NH+](CC)CCNC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000559354048 483792314 /nfs/dbraw/zinc/79/23/14/483792314.db2.gz VUWMLTRUIHCQLD-UHFFFAOYSA-N 2 0 355.527 -0.071 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000559359590 483800226 /nfs/dbraw/zinc/80/02/26/483800226.db2.gz KZVFIBISLHPTNX-HNNXBMFYSA-N 2 0 353.511 -0.271 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000559359600 483800149 /nfs/dbraw/zinc/80/01/49/483800149.db2.gz KZVFIBISLHPTNX-OAHLLOKOSA-N 2 0 353.511 -0.271 20 0 FBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000559365265 483801158 /nfs/dbraw/zinc/80/11/58/483801158.db2.gz WPLYJEAKAAXBDA-DLBZAZTESA-N 2 0 367.538 -0.071 20 0 FBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000559365271 483800791 /nfs/dbraw/zinc/80/07/91/483800791.db2.gz WPLYJEAKAAXBDA-IAGOWNOFSA-N 2 0 367.538 -0.071 20 0 FBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000559365274 483800773 /nfs/dbraw/zinc/80/07/73/483800773.db2.gz WPLYJEAKAAXBDA-IRXDYDNUSA-N 2 0 367.538 -0.071 20 0 FBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000559365279 483800863 /nfs/dbraw/zinc/80/08/63/483800863.db2.gz WPLYJEAKAAXBDA-SJORKVTESA-N 2 0 367.538 -0.071 20 0 FBADRP C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000559386093 483802078 /nfs/dbraw/zinc/80/20/78/483802078.db2.gz GPCAFEDWSOZPAU-HNNXBMFYSA-N 2 0 352.479 -0.232 20 0 FBADRP C[NH+](C)CCOc1cc(CNC(=O)C(=O)NC2CC[NH+](C)CC2)ccn1 ZINC000559389454 483829810 /nfs/dbraw/zinc/82/98/10/483829810.db2.gz HOUJCFQRZUJPHJ-UHFFFAOYSA-N 2 0 363.462 -0.151 20 0 FBADRP C[NH+]1CCC(NC(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000559389575 483829806 /nfs/dbraw/zinc/82/98/06/483829806.db2.gz XWDWCDHSEVBXIL-KRWDZBQOSA-N 2 0 365.522 -0.175 20 0 FBADRP C[NH+]1CCC(NC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000559389576 483829822 /nfs/dbraw/zinc/82/98/22/483829822.db2.gz XWDWCDHSEVBXIL-QGZVFWFLSA-N 2 0 365.522 -0.175 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000559398742 483841056 /nfs/dbraw/zinc/84/10/56/483841056.db2.gz XOJHKAFLBMFZMB-UHFFFAOYSA-N 3 0 355.527 -0.071 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1cn2ccccc2n1 ZINC000559429807 483841826 /nfs/dbraw/zinc/84/18/26/483841826.db2.gz KXDLPPCIZDMEPL-UHFFFAOYSA-N 2 0 360.462 -0.098 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000559455195 483842775 /nfs/dbraw/zinc/84/27/75/483842775.db2.gz LGKBCHWAAHSOMW-KRWDZBQOSA-N 2 0 361.490 -0.274 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000559455198 483842984 /nfs/dbraw/zinc/84/29/84/483842984.db2.gz LGKBCHWAAHSOMW-QGZVFWFLSA-N 2 0 361.490 -0.274 20 0 FBADRP CCC[NH+]1CCC(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000559460911 483843401 /nfs/dbraw/zinc/84/34/01/483843401.db2.gz OSAFMAHRUCCLQG-UHFFFAOYSA-N 3 0 355.527 -0.071 20 0 FBADRP Cc1nc(NC(=O)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)nn1C ZINC000559538228 484454682 /nfs/dbraw/zinc/45/46/82/484454682.db2.gz DPMJRGXXFJAWCS-UHFFFAOYSA-N 2 0 353.471 -0.206 20 0 FBADRP C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1nnc2n1CCC2 ZINC000559557105 483847511 /nfs/dbraw/zinc/84/75/11/483847511.db2.gz SIJSLWRCEUWMNH-CYBMUJFWSA-N 2 0 365.482 -0.647 20 0 FBADRP C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1nnc2n1CCC2 ZINC000559557111 483847224 /nfs/dbraw/zinc/84/72/24/483847224.db2.gz SIJSLWRCEUWMNH-ZDUSSCGKSA-N 2 0 365.482 -0.647 20 0 FBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)CC1(C)C ZINC000559590686 483848537 /nfs/dbraw/zinc/84/85/37/483848537.db2.gz SOAWPTAOIGWPDP-UHFFFAOYSA-N 2 0 365.522 -0.128 20 0 FBADRP CC(C)[C@H](CNC(=O)C(=O)N(C)CC[NH+]1CCCC1)N1CC[NH+](C)CC1 ZINC000559612515 483849392 /nfs/dbraw/zinc/84/93/92/483849392.db2.gz HKORVAJYNITPLZ-KRWDZBQOSA-N 2 0 367.538 -0.071 20 0 FBADRP CC(C)[C@@H](CNC(=O)C(=O)N(C)CC[NH+]1CCCC1)N1CC[NH+](C)CC1 ZINC000559612521 483849432 /nfs/dbraw/zinc/84/94/32/483849432.db2.gz HKORVAJYNITPLZ-QGZVFWFLSA-N 2 0 367.538 -0.071 20 0 FBADRP CC(C)[C@@H](CNC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1)N1CC[NH+](C)CC1 ZINC000559613221 483849379 /nfs/dbraw/zinc/84/93/79/483849379.db2.gz JQNWVQYHSSLZLH-DLBZAZTESA-N 2 0 367.538 -0.073 20 0 FBADRP CC(C)[C@@H](CNC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1)N1CC[NH+](C)CC1 ZINC000559613223 483849513 /nfs/dbraw/zinc/84/95/13/483849513.db2.gz JQNWVQYHSSLZLH-IAGOWNOFSA-N 2 0 367.538 -0.073 20 0 FBADRP CC(C)[C@H](CNC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1)N1CC[NH+](C)CC1 ZINC000559613226 483849619 /nfs/dbraw/zinc/84/96/19/483849619.db2.gz JQNWVQYHSSLZLH-IRXDYDNUSA-N 2 0 367.538 -0.073 20 0 FBADRP CC(C)[C@H](CNC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1)N1CC[NH+](C)CC1 ZINC000559613229 483849588 /nfs/dbraw/zinc/84/95/88/483849588.db2.gz JQNWVQYHSSLZLH-SJORKVTESA-N 2 0 367.538 -0.073 20 0 FBADRP CC(C)[C@H](CNC(=O)C(=O)N(C)CCC[NH+](C)C)N1CC[NH+](C)CC1 ZINC000559614558 483849947 /nfs/dbraw/zinc/84/99/47/483849947.db2.gz VIJXQXHTGXJIOP-INIZCTEOSA-N 2 0 355.527 -0.215 20 0 FBADRP CC(C)[C@@H](CNC(=O)C(=O)N(C)CCC[NH+](C)C)N1CC[NH+](C)CC1 ZINC000559614559 483850324 /nfs/dbraw/zinc/85/03/24/483850324.db2.gz VIJXQXHTGXJIOP-MRXNPFEDSA-N 2 0 355.527 -0.215 20 0 FBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000559661312 483850581 /nfs/dbraw/zinc/85/05/81/483850581.db2.gz GAXIMLBVIWHFTG-UHFFFAOYSA-N 2 0 355.527 -0.071 20 0 FBADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000559664594 483851092 /nfs/dbraw/zinc/85/10/92/483851092.db2.gz FPIIEGTTXFNYPG-INIZCTEOSA-N 2 0 353.511 -0.319 20 0 FBADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000559664619 483851009 /nfs/dbraw/zinc/85/10/09/483851009.db2.gz FPIIEGTTXFNYPG-MRXNPFEDSA-N 2 0 353.511 -0.319 20 0 FBADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000559665000 483851466 /nfs/dbraw/zinc/85/14/66/483851466.db2.gz UWVQKPPXWKHPKR-KRWDZBQOSA-N 2 0 365.522 -0.175 20 0 FBADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000559665003 483851728 /nfs/dbraw/zinc/85/17/28/483851728.db2.gz UWVQKPPXWKHPKR-QGZVFWFLSA-N 2 0 365.522 -0.175 20 0 FBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000559681402 483851533 /nfs/dbraw/zinc/85/15/33/483851533.db2.gz LMCHQFACMOSHPY-PBHICJAKSA-N 2 0 365.522 -0.273 20 0 FBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000559681409 483851664 /nfs/dbraw/zinc/85/16/64/483851664.db2.gz LMCHQFACMOSHPY-RHSMWYFYSA-N 2 0 365.522 -0.273 20 0 FBADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000559681412 483851544 /nfs/dbraw/zinc/85/15/44/483851544.db2.gz LMCHQFACMOSHPY-WMLDXEAASA-N 2 0 365.522 -0.273 20 0 FBADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000559681415 483851573 /nfs/dbraw/zinc/85/15/73/483851573.db2.gz LMCHQFACMOSHPY-YOEHRIQHSA-N 2 0 365.522 -0.273 20 0 FBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000559701590 483852053 /nfs/dbraw/zinc/85/20/53/483852053.db2.gz ADAUWTLDKQRVJF-OAHLLOKOSA-N 2 0 355.527 -0.025 20 0 FBADRP CC1=CC[N@H+](CCNC(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000559704687 483851914 /nfs/dbraw/zinc/85/19/14/483851914.db2.gz XSYMNMGVPUXIDM-UHFFFAOYSA-N 2 0 365.522 -0.103 20 0 FBADRP COc1ccc(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1O ZINC000559725979 483852793 /nfs/dbraw/zinc/85/27/93/483852793.db2.gz LVEGVSFWOPKNHA-UHFFFAOYSA-N 2 0 366.462 -0.031 20 0 FBADRP CC1CC[NH+](CCNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000559748668 483852999 /nfs/dbraw/zinc/85/29/99/483852999.db2.gz GLTONFNGMFEMJD-UHFFFAOYSA-N 3 0 355.527 -0.214 20 0 FBADRP CN(C)c1ccc(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cn1 ZINC000559763807 483854019 /nfs/dbraw/zinc/85/40/19/483854019.db2.gz LMHWLODSYPSNLW-UHFFFAOYSA-N 2 0 364.494 -0.284 20 0 FBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCc1cccnc1N(C)C ZINC000559769408 483854080 /nfs/dbraw/zinc/85/40/80/483854080.db2.gz NUHIYTCDDVLEOK-HNNXBMFYSA-N 2 0 363.462 -0.009 20 0 FBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCc1cccnc1N(C)C ZINC000559769409 483853882 /nfs/dbraw/zinc/85/38/82/483853882.db2.gz NUHIYTCDDVLEOK-OAHLLOKOSA-N 2 0 363.462 -0.009 20 0 FBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCCC(=O)N1CCN(C)CC1 ZINC000559771370 483853878 /nfs/dbraw/zinc/85/38/78/483853878.db2.gz WJKVHCSDDWEGGR-AWEZNQCLSA-N 2 0 355.483 -0.887 20 0 FBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NCCC(=O)N1CCN(C)CC1 ZINC000559771371 483853927 /nfs/dbraw/zinc/85/39/27/483853927.db2.gz WJKVHCSDDWEGGR-CQSZACIVSA-N 2 0 355.483 -0.887 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1nc(C)n(C)n1 ZINC000559796258 484350101 /nfs/dbraw/zinc/35/01/01/484350101.db2.gz MSXWCZDVALRVJC-AWEZNQCLSA-N 2 0 365.482 -0.063 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1nc(C)n(C)n1 ZINC000559796259 484350271 /nfs/dbraw/zinc/35/02/71/484350271.db2.gz MSXWCZDVALRVJC-CQSZACIVSA-N 2 0 365.482 -0.063 20 0 FBADRP CN1CC[NH+](CCCCNC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000559831438 483856039 /nfs/dbraw/zinc/85/60/39/483856039.db2.gz KOIGMBDFZVYWLI-KRWDZBQOSA-N 2 0 365.522 -0.173 20 0 FBADRP CN1CC[NH+](CCCCNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000559831439 483856097 /nfs/dbraw/zinc/85/60/97/483856097.db2.gz KOIGMBDFZVYWLI-QGZVFWFLSA-N 2 0 365.522 -0.173 20 0 FBADRP COCC[NH+]1CCC(NC(=O)C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000559832021 483856111 /nfs/dbraw/zinc/85/61/11/483856111.db2.gz OISKHLAHSFBKCP-UHFFFAOYSA-N 2 0 370.494 -0.558 20 0 FBADRP CC[N@@H+]1CCCN(C(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)CC1 ZINC000559834584 483855863 /nfs/dbraw/zinc/85/58/63/483855863.db2.gz HBCQLSUJNKJCNW-UHFFFAOYSA-N 2 0 353.511 -0.316 20 0 FBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000559836132 483855879 /nfs/dbraw/zinc/85/58/79/483855879.db2.gz KXSKRFGVTLVNNF-GDBMZVCRSA-N 2 0 352.479 -0.186 20 0 FBADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000559836133 483855694 /nfs/dbraw/zinc/85/56/94/483855694.db2.gz KXSKRFGVTLVNNF-GOEBONIOSA-N 2 0 352.479 -0.186 20 0 FBADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000559836134 483856152 /nfs/dbraw/zinc/85/61/52/483856152.db2.gz KXSKRFGVTLVNNF-HOCLYGCPSA-N 2 0 352.479 -0.186 20 0 FBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000559836135 483856072 /nfs/dbraw/zinc/85/60/72/483856072.db2.gz KXSKRFGVTLVNNF-ZBFHGGJFSA-N 2 0 352.479 -0.186 20 0 FBADRP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)C1 ZINC000559837796 483855725 /nfs/dbraw/zinc/85/57/25/483855725.db2.gz RPLPCEWIMPTRKU-KRWDZBQOSA-N 2 0 367.538 -0.022 20 0 FBADRP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)C1 ZINC000559837799 483856021 /nfs/dbraw/zinc/85/60/21/483856021.db2.gz RPLPCEWIMPTRKU-QGZVFWFLSA-N 2 0 367.538 -0.022 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000559901191 483858587 /nfs/dbraw/zinc/85/85/87/483858587.db2.gz CIDJJVKJIWQNSM-HNNXBMFYSA-N 3 0 353.511 -0.461 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000559901192 483858384 /nfs/dbraw/zinc/85/83/84/483858384.db2.gz CIDJJVKJIWQNSM-OAHLLOKOSA-N 3 0 353.511 -0.461 20 0 FBADRP CC(C)[NH2+]C1CCN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000560008572 483861189 /nfs/dbraw/zinc/86/11/89/483861189.db2.gz TZKFETKKYBPJLD-INIZCTEOSA-N 2 0 367.538 -0.025 20 0 FBADRP CC(C)[NH2+]C1CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000560008573 483861359 /nfs/dbraw/zinc/86/13/59/483861359.db2.gz TZKFETKKYBPJLD-MRXNPFEDSA-N 2 0 367.538 -0.025 20 0 FBADRP CC[N@H+](CCNC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)C1CC1 ZINC000560012646 483861588 /nfs/dbraw/zinc/86/15/88/483861588.db2.gz FFDRYXJRPLRARX-HNNXBMFYSA-N 2 0 353.511 -0.413 20 0 FBADRP CC[N@H+](CCNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1)C1CC1 ZINC000560012655 483861759 /nfs/dbraw/zinc/86/17/59/483861759.db2.gz FFDRYXJRPLRARX-OAHLLOKOSA-N 2 0 353.511 -0.413 20 0 FBADRP CC[N@H+](CCNC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)C(C)C ZINC000560013927 483861722 /nfs/dbraw/zinc/86/17/22/483861722.db2.gz PHKFQKTUQYNODK-INIZCTEOSA-N 2 0 355.527 -0.167 20 0 FBADRP CC[N@H+](CCNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1)C(C)C ZINC000560013932 483861768 /nfs/dbraw/zinc/86/17/68/483861768.db2.gz PHKFQKTUQYNODK-MRXNPFEDSA-N 2 0 355.527 -0.167 20 0 FBADRP C[C@@H](CNC(=O)C(=O)NCCCC[NH+]1CCN(C)CC1)C[NH+]1CCCC1 ZINC000560014118 483861640 /nfs/dbraw/zinc/86/16/40/483861640.db2.gz QMWVEYXFJRESGW-KRWDZBQOSA-N 2 0 367.538 -0.022 20 0 FBADRP C[C@H](CNC(=O)C(=O)NCCCC[NH+]1CCN(C)CC1)C[NH+]1CCCC1 ZINC000560014119 483861900 /nfs/dbraw/zinc/86/19/00/483861900.db2.gz QMWVEYXFJRESGW-QGZVFWFLSA-N 2 0 367.538 -0.022 20 0 FBADRP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1)C[NH+]1CCN(C)CC1 ZINC000560014257 483861884 /nfs/dbraw/zinc/86/18/84/483861884.db2.gz VZUXPCYVKAJYOI-CABCVRRESA-N 2 0 351.495 -0.661 20 0 FBADRP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1)C[NH+]1CCN(C)CC1 ZINC000560014258 483861854 /nfs/dbraw/zinc/86/18/54/483861854.db2.gz VZUXPCYVKAJYOI-GJZGRUSLSA-N 2 0 351.495 -0.661 20 0 FBADRP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)C[NH+]1CCN(C)CC1 ZINC000560014259 483861806 /nfs/dbraw/zinc/86/18/06/483861806.db2.gz VZUXPCYVKAJYOI-HUUCEWRRSA-N 2 0 351.495 -0.661 20 0 FBADRP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)C[NH+]1CCN(C)CC1 ZINC000560014260 483861867 /nfs/dbraw/zinc/86/18/67/483861867.db2.gz VZUXPCYVKAJYOI-LSDHHAIUSA-N 2 0 351.495 -0.661 20 0 FBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000560014835 483861646 /nfs/dbraw/zinc/86/16/46/483861646.db2.gz FSSXLIXGTFEYKD-INIZCTEOSA-N 2 0 355.527 -0.214 20 0 FBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000560014836 483861752 /nfs/dbraw/zinc/86/17/52/483861752.db2.gz FSSXLIXGTFEYKD-MRXNPFEDSA-N 2 0 355.527 -0.214 20 0 FBADRP CC1=CC[N@H+](CCNC(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000560015017 483861987 /nfs/dbraw/zinc/86/19/87/483861987.db2.gz AKMHMJCHNDHEMT-KRWDZBQOSA-N 2 0 365.522 -0.246 20 0 FBADRP CC1=CC[N@H+](CCNC(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000560015021 483862064 /nfs/dbraw/zinc/86/20/64/483862064.db2.gz AKMHMJCHNDHEMT-QGZVFWFLSA-N 2 0 365.522 -0.246 20 0 FBADRP C[C@@H](CNC(=O)C(=O)NCCC1CC[NH+](C)CC1)C[NH+]1CCN(C)CC1 ZINC000560015104 483861878 /nfs/dbraw/zinc/86/18/78/483861878.db2.gz BPVKGKCTFDJFHQ-INIZCTEOSA-N 2 0 367.538 -0.166 20 0 FBADRP C[C@H](CNC(=O)C(=O)NCCC1CC[NH+](C)CC1)C[NH+]1CCN(C)CC1 ZINC000560015105 483862005 /nfs/dbraw/zinc/86/20/05/483862005.db2.gz BPVKGKCTFDJFHQ-MRXNPFEDSA-N 2 0 367.538 -0.166 20 0 FBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000560017780 483863114 /nfs/dbraw/zinc/86/31/14/483863114.db2.gz YQVRHMJGAKHWLA-CVEARBPZSA-N 2 0 355.527 -0.167 20 0 FBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000560017781 483863251 /nfs/dbraw/zinc/86/32/51/483863251.db2.gz YQVRHMJGAKHWLA-HOTGVXAUSA-N 2 0 355.527 -0.167 20 0 FBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000560017782 483862870 /nfs/dbraw/zinc/86/28/70/483862870.db2.gz YQVRHMJGAKHWLA-HZPDHXFCSA-N 2 0 355.527 -0.167 20 0 FBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000560017783 483863031 /nfs/dbraw/zinc/86/30/31/483863031.db2.gz YQVRHMJGAKHWLA-JKSUJKDBSA-N 2 0 355.527 -0.167 20 0 FBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)CC1(C)C ZINC000560022311 483862639 /nfs/dbraw/zinc/86/26/39/483862639.db2.gz WYICWYFNSMJSKO-CVEARBPZSA-N 2 0 365.522 -0.128 20 0 FBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N[C@H]2CC[NH+]3CCCC[C@@H]23)CC1(C)C ZINC000560022312 483862242 /nfs/dbraw/zinc/86/22/42/483862242.db2.gz WYICWYFNSMJSKO-HOTGVXAUSA-N 2 0 365.522 -0.128 20 0 FBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)CC1(C)C ZINC000560022314 483862292 /nfs/dbraw/zinc/86/22/92/483862292.db2.gz WYICWYFNSMJSKO-HZPDHXFCSA-N 2 0 365.522 -0.128 20 0 FBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N[C@H]2CC[NH+]3CCCC[C@H]23)CC1(C)C ZINC000560022316 483862519 /nfs/dbraw/zinc/86/25/19/483862519.db2.gz WYICWYFNSMJSKO-JKSUJKDBSA-N 2 0 365.522 -0.128 20 0 FBADRP CC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000560030935 483862849 /nfs/dbraw/zinc/86/28/49/483862849.db2.gz LLQNJCWKGCSNOB-HNNXBMFYSA-N 2 0 353.511 -0.413 20 0 FBADRP CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000560030936 483863149 /nfs/dbraw/zinc/86/31/49/483863149.db2.gz LLQNJCWKGCSNOB-OAHLLOKOSA-N 2 0 353.511 -0.413 20 0 FBADRP C[C@@H](CNC(=O)C(=O)NCC[NH+]1CCC(C)CC1)C[NH+]1CCN(C)CC1 ZINC000560031340 483863108 /nfs/dbraw/zinc/86/31/08/483863108.db2.gz WBNLJLSXVRZISE-KRWDZBQOSA-N 2 0 367.538 -0.166 20 0 FBADRP C[C@H](CNC(=O)C(=O)NCC[NH+]1CCC(C)CC1)C[NH+]1CCN(C)CC1 ZINC000560031341 483863092 /nfs/dbraw/zinc/86/30/92/483863092.db2.gz WBNLJLSXVRZISE-QGZVFWFLSA-N 2 0 367.538 -0.166 20 0 FBADRP C[C@H](CNC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)C[NH+]1CCN(C)CC1 ZINC000560031431 483863169 /nfs/dbraw/zinc/86/31/69/483863169.db2.gz YCTOYPLCBUKGPT-BZUAXINKSA-N 2 0 365.522 -0.273 20 0 FBADRP C[C@H](CNC(=O)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)C[NH+]1CCN(C)CC1 ZINC000560031432 483863098 /nfs/dbraw/zinc/86/30/98/483863098.db2.gz YCTOYPLCBUKGPT-OAGGEKHMSA-N 2 0 365.522 -0.273 20 0 FBADRP C[C@H](CNC(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)C[NH+]1CCN(C)CC1 ZINC000560031433 483863152 /nfs/dbraw/zinc/86/31/52/483863152.db2.gz YCTOYPLCBUKGPT-OWCLPIDISA-N 2 0 365.522 -0.273 20 0 FBADRP C[C@H](CNC(=O)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1)C[NH+]1CCN(C)CC1 ZINC000560031434 483862965 /nfs/dbraw/zinc/86/29/65/483862965.db2.gz YCTOYPLCBUKGPT-PMPSAXMXSA-N 2 0 365.522 -0.273 20 0 FBADRP CC(C)[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000560031712 483863144 /nfs/dbraw/zinc/86/31/44/483863144.db2.gz BWANGIGMQIUGSA-INIZCTEOSA-N 2 0 367.538 -0.025 20 0 FBADRP CC(C)[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000560031713 483863124 /nfs/dbraw/zinc/86/31/24/483863124.db2.gz BWANGIGMQIUGSA-MRXNPFEDSA-N 2 0 367.538 -0.025 20 0 FBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CC[N@H+](C)CC[C@H]2C)CC1 ZINC000560034389 483863071 /nfs/dbraw/zinc/86/30/71/483863071.db2.gz NUCVMAFNBDTQFE-DLBZAZTESA-N 2 0 367.538 -0.071 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CC[N@H+](C)CC[C@H]2C)CC1 ZINC000560034390 483862886 /nfs/dbraw/zinc/86/28/86/483862886.db2.gz NUCVMAFNBDTQFE-IAGOWNOFSA-N 2 0 367.538 -0.071 20 0 FBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CC[N@H+](C)CC[C@@H]2C)CC1 ZINC000560034391 483862998 /nfs/dbraw/zinc/86/29/98/483862998.db2.gz NUCVMAFNBDTQFE-IRXDYDNUSA-N 2 0 367.538 -0.071 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CC[N@H+](C)CC[C@@H]2C)CC1 ZINC000560034392 483863230 /nfs/dbraw/zinc/86/32/30/483863230.db2.gz NUCVMAFNBDTQFE-SJORKVTESA-N 2 0 367.538 -0.071 20 0 FBADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000560316411 483871039 /nfs/dbraw/zinc/87/10/39/483871039.db2.gz BFMSSWKJBLFMMV-INIZCTEOSA-N 2 0 352.479 -0.090 20 0 FBADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000560316412 483870916 /nfs/dbraw/zinc/87/09/16/483870916.db2.gz BFMSSWKJBLFMMV-MRXNPFEDSA-N 2 0 352.479 -0.090 20 0 FBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000560637467 483880317 /nfs/dbraw/zinc/88/03/17/483880317.db2.gz GROVWVVJHRHAEH-INIZCTEOSA-N 3 0 355.527 -0.119 20 0 FBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000560637468 483880370 /nfs/dbraw/zinc/88/03/70/483880370.db2.gz GROVWVVJHRHAEH-MRXNPFEDSA-N 3 0 355.527 -0.119 20 0 FBADRP CC(C)OC[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCO1 ZINC000560637494 483880304 /nfs/dbraw/zinc/88/03/04/483880304.db2.gz QFWZWHYIUANMRV-INIZCTEOSA-N 2 0 372.510 -0.409 20 0 FBADRP CC(C)OC[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCO1 ZINC000560637495 483880470 /nfs/dbraw/zinc/88/04/70/483880470.db2.gz QFWZWHYIUANMRV-MRXNPFEDSA-N 2 0 372.510 -0.409 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCN(CC2CC2)CC1 ZINC000560637510 483880825 /nfs/dbraw/zinc/88/08/25/483880825.db2.gz UCELIVYPYUANOE-UHFFFAOYSA-N 2 0 353.511 -0.508 20 0 FBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)C2)CC1 ZINC000560654556 483881069 /nfs/dbraw/zinc/88/10/69/483881069.db2.gz UEZMXSNWRUUVJX-DOTOQJQBSA-N 2 0 363.506 -0.422 20 0 FBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)C2)CC1 ZINC000560654557 483881305 /nfs/dbraw/zinc/88/13/05/483881305.db2.gz UEZMXSNWRUUVJX-NVXWUHKLSA-N 2 0 363.506 -0.422 20 0 FBADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)C2)CC1 ZINC000560654558 483881293 /nfs/dbraw/zinc/88/12/93/483881293.db2.gz UEZMXSNWRUUVJX-RDJZCZTQSA-N 2 0 363.506 -0.422 20 0 FBADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)C2)CC1 ZINC000560654559 483881394 /nfs/dbraw/zinc/88/13/94/483881394.db2.gz UEZMXSNWRUUVJX-WBVHZDCISA-N 2 0 363.506 -0.422 20 0 FBADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C[C@@H](C)O1 ZINC000560654827 483881031 /nfs/dbraw/zinc/88/10/31/483881031.db2.gz FTBGMUUJDJJINK-KFWWJZLASA-N 2 0 352.479 -0.045 20 0 FBADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CC[NH+](C3CC3)C2)C[C@H](C)O1 ZINC000560654828 483881261 /nfs/dbraw/zinc/88/12/61/483881261.db2.gz FTBGMUUJDJJINK-QLFBSQMISA-N 2 0 352.479 -0.045 20 0 FBADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C[C@@H](C)O1 ZINC000560654829 483881198 /nfs/dbraw/zinc/88/11/98/483881198.db2.gz FTBGMUUJDJJINK-RBSFLKMASA-N 2 0 352.479 -0.045 20 0 FBADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@H]2CC[NH+](C3CC3)C2)C[C@H](C)O1 ZINC000560654830 483881274 /nfs/dbraw/zinc/88/12/74/483881274.db2.gz FTBGMUUJDJJINK-ZNMIVQPWSA-N 2 0 352.479 -0.045 20 0 FBADRP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000560655731 483881523 /nfs/dbraw/zinc/88/15/23/483881523.db2.gz PNJHRSAJDRSAQP-INIZCTEOSA-N 2 0 364.490 -0.090 20 0 FBADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000560655732 483881820 /nfs/dbraw/zinc/88/18/20/483881820.db2.gz PNJHRSAJDRSAQP-MRXNPFEDSA-N 2 0 364.490 -0.090 20 0 FBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000560668644 483882033 /nfs/dbraw/zinc/88/20/33/483882033.db2.gz RQEOHEOBNGQYCF-CABCVRRESA-N 2 0 367.494 -0.792 20 0 FBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000560668648 483882344 /nfs/dbraw/zinc/88/23/44/483882344.db2.gz RQEOHEOBNGQYCF-GJZGRUSLSA-N 2 0 367.494 -0.792 20 0 FBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000560668650 483882316 /nfs/dbraw/zinc/88/23/16/483882316.db2.gz RQEOHEOBNGQYCF-HUUCEWRRSA-N 2 0 367.494 -0.792 20 0 FBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000560668651 483882101 /nfs/dbraw/zinc/88/21/01/483882101.db2.gz RQEOHEOBNGQYCF-LSDHHAIUSA-N 2 0 367.494 -0.792 20 0 FBADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N[C@H](C)CC[NH+](C)C)C2)CC1 ZINC000560678872 483882261 /nfs/dbraw/zinc/88/22/61/483882261.db2.gz PTFCNDCIMJQJEN-CVEARBPZSA-N 2 0 353.511 -0.319 20 0 FBADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N[C@@H](C)CC[NH+](C)C)C2)CC1 ZINC000560678873 483882312 /nfs/dbraw/zinc/88/23/12/483882312.db2.gz PTFCNDCIMJQJEN-HOTGVXAUSA-N 2 0 353.511 -0.319 20 0 FBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@H](C)CC[NH+](C)C)C2)CC1 ZINC000560678874 483882200 /nfs/dbraw/zinc/88/22/00/483882200.db2.gz PTFCNDCIMJQJEN-HZPDHXFCSA-N 2 0 353.511 -0.319 20 0 FBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@@H](C)CC[NH+](C)C)C2)CC1 ZINC000560678875 483882139 /nfs/dbraw/zinc/88/21/39/483882139.db2.gz PTFCNDCIMJQJEN-JKSUJKDBSA-N 2 0 353.511 -0.319 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CNS(=O)(=O)c1cccs1 ZINC000560679653 483882410 /nfs/dbraw/zinc/88/24/10/483882410.db2.gz OAWACLUOSKYEGA-UHFFFAOYSA-N 2 0 362.521 -0.022 20 0 FBADRP COCC[N@H+](C)CCNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000560937882 483888825 /nfs/dbraw/zinc/88/88/25/483888825.db2.gz LAWXEZUCVABEOZ-HNNXBMFYSA-N 2 0 370.494 -0.702 20 0 FBADRP COCC[N@H+](C)CCNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000560937883 483888984 /nfs/dbraw/zinc/88/89/84/483888984.db2.gz LAWXEZUCVABEOZ-OAHLLOKOSA-N 2 0 370.494 -0.702 20 0 FBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000560939118 483888910 /nfs/dbraw/zinc/88/89/10/483888910.db2.gz JSZGUELNDXUOCN-UHFFFAOYSA-N 2 0 370.494 -0.748 20 0 FBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000560939970 483888675 /nfs/dbraw/zinc/88/86/75/483888675.db2.gz RWKFQIWLQSLAKT-MRXNPFEDSA-N 2 0 370.494 -0.748 20 0 FBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000560940769 483888923 /nfs/dbraw/zinc/88/89/23/483888923.db2.gz VWMRRDLGSJZCBY-INIZCTEOSA-N 2 0 354.495 -0.129 20 0 FBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000560940774 483888629 /nfs/dbraw/zinc/88/86/29/483888629.db2.gz VWMRRDLGSJZCBY-MRXNPFEDSA-N 2 0 354.495 -0.129 20 0 FBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000561044469 483890619 /nfs/dbraw/zinc/89/06/19/483890619.db2.gz FHHTULZUJSBPAZ-HNNXBMFYSA-N 2 0 369.510 -0.545 20 0 FBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000561044470 483890699 /nfs/dbraw/zinc/89/06/99/483890699.db2.gz FHHTULZUJSBPAZ-OAHLLOKOSA-N 2 0 369.510 -0.545 20 0 FBADRP C[NH+](C)CCOc1ccccc1CNC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000561151138 483893802 /nfs/dbraw/zinc/89/38/02/483893802.db2.gz DHIGKFPCGIIWTK-UHFFFAOYSA-N 2 0 363.462 -0.142 20 0 FBADRP OCCC[NH+]1CCN(c2cncc(N3CC[NH+](CCCO)CC3)n2)CC1 ZINC000561154518 483893516 /nfs/dbraw/zinc/89/35/16/483893516.db2.gz APOZJCFXBZUUKQ-UHFFFAOYSA-N 2 0 364.494 -0.515 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000561176982 483894830 /nfs/dbraw/zinc/89/48/30/483894830.db2.gz HETKSLJTSXWOBI-CVEARBPZSA-N 2 0 367.494 -0.440 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000561176983 483894739 /nfs/dbraw/zinc/89/47/39/483894739.db2.gz HETKSLJTSXWOBI-HOTGVXAUSA-N 2 0 367.494 -0.440 20 0 FBADRP COCC[N@@H+]1CC[C@@H](NC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000561176984 483894859 /nfs/dbraw/zinc/89/48/59/483894859.db2.gz HETKSLJTSXWOBI-HZPDHXFCSA-N 2 0 367.494 -0.440 20 0 FBADRP COCC[N@@H+]1CC[C@@H](NC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000561176985 483894764 /nfs/dbraw/zinc/89/47/64/483894764.db2.gz HETKSLJTSXWOBI-JKSUJKDBSA-N 2 0 367.494 -0.440 20 0 FBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NC[C@@H](C)[N@H+](C)C3CC3)C2)CC1 ZINC000561189130 483895514 /nfs/dbraw/zinc/89/55/14/483895514.db2.gz XAVSHJZPKPNTFY-NVXWUHKLSA-N 2 0 365.522 -0.176 20 0 FBADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NC[C@H](C)[N@H+](C)C3CC3)C2)CC1 ZINC000561189131 483895384 /nfs/dbraw/zinc/89/53/84/483895384.db2.gz XAVSHJZPKPNTFY-RDJZCZTQSA-N 2 0 365.522 -0.176 20 0 FBADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NC[C@@H](C)[N@H+](C)C3CC3)C2)CC1 ZINC000561189132 483895161 /nfs/dbraw/zinc/89/51/61/483895161.db2.gz XAVSHJZPKPNTFY-WBVHZDCISA-N 2 0 365.522 -0.176 20 0 FBADRP COC[C@]1(CNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CCC[NH2+]1 ZINC000561212571 483896596 /nfs/dbraw/zinc/89/65/96/483896596.db2.gz BEALVIWBXBCYSL-GOSISDBHSA-N 2 0 367.494 -0.295 20 0 FBADRP COC[C@@]1(CNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CCC[NH2+]1 ZINC000561212574 483896908 /nfs/dbraw/zinc/89/69/08/483896908.db2.gz BEALVIWBXBCYSL-SFHVURJKSA-N 2 0 367.494 -0.295 20 0 FBADRP CN1CCN(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)[C@H](C[NH3+])C1 ZINC000561213196 483896543 /nfs/dbraw/zinc/89/65/43/483896543.db2.gz YVMFBZSAJGUPBG-NEPJUHHUSA-N 2 0 352.405 -0.893 20 0 FBADRP CN1CCN(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000561213197 483896963 /nfs/dbraw/zinc/89/69/63/483896963.db2.gz YVMFBZSAJGUPBG-NWDGAFQWSA-N 2 0 352.405 -0.893 20 0 FBADRP CN1CCN(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000561213198 483896440 /nfs/dbraw/zinc/89/64/40/483896440.db2.gz YVMFBZSAJGUPBG-RYUDHWBXSA-N 2 0 352.405 -0.893 20 0 FBADRP CN1CCN(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)[C@H](C[NH3+])C1 ZINC000561213199 483896821 /nfs/dbraw/zinc/89/68/21/483896821.db2.gz YVMFBZSAJGUPBG-VXGBXAGGSA-N 2 0 352.405 -0.893 20 0 FBADRP C[C@H]1CCC[C@@](CNC(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)([NH+](C)C)C1 ZINC000561226967 483897230 /nfs/dbraw/zinc/89/72/30/483897230.db2.gz LRABFZWYFDVGEN-KBXCAEBGSA-N 2 0 367.494 -0.839 20 0 FBADRP C[C@@H]1CCC[C@](CNC(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)([NH+](C)C)C1 ZINC000561226968 483897282 /nfs/dbraw/zinc/89/72/82/483897282.db2.gz LRABFZWYFDVGEN-KDOFPFPSSA-N 2 0 367.494 -0.839 20 0 FBADRP C[C@H]1CCC[C@](CNC(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)([NH+](C)C)C1 ZINC000561226969 483897555 /nfs/dbraw/zinc/89/75/55/483897555.db2.gz LRABFZWYFDVGEN-KSSFIOAISA-N 2 0 367.494 -0.839 20 0 FBADRP C[C@@H]1CCC[C@@](CNC(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)([NH+](C)C)C1 ZINC000561226970 483897428 /nfs/dbraw/zinc/89/74/28/483897428.db2.gz LRABFZWYFDVGEN-RDTXWAMCSA-N 2 0 367.494 -0.839 20 0 FBADRP CN1CCN(C(=O)C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)[C@H](C[NH3+])C1 ZINC000561230559 483897375 /nfs/dbraw/zinc/89/73/75/483897375.db2.gz ANCJCQPNWBWRFR-DLBZAZTESA-N 2 0 361.490 -0.623 20 0 FBADRP CN1CCN(C(=O)C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)[C@H](C[NH3+])C1 ZINC000561230560 483897364 /nfs/dbraw/zinc/89/73/64/483897364.db2.gz ANCJCQPNWBWRFR-IAGOWNOFSA-N 2 0 361.490 -0.623 20 0 FBADRP CN1CCN(C(=O)C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)[C@@H](C[NH3+])C1 ZINC000561230561 483897629 /nfs/dbraw/zinc/89/76/29/483897629.db2.gz ANCJCQPNWBWRFR-IRXDYDNUSA-N 2 0 361.490 -0.623 20 0 FBADRP CN1CCN(C(=O)C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)[C@@H](C[NH3+])C1 ZINC000561230562 483897340 /nfs/dbraw/zinc/89/73/40/483897340.db2.gz ANCJCQPNWBWRFR-SJORKVTESA-N 2 0 361.490 -0.623 20 0 FBADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000561249377 483898274 /nfs/dbraw/zinc/89/82/74/483898274.db2.gz ONHBBAGFFQHJSP-HNNXBMFYSA-N 2 0 367.494 -0.839 20 0 FBADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000561249380 483898230 /nfs/dbraw/zinc/89/82/30/483898230.db2.gz ONHBBAGFFQHJSP-OAHLLOKOSA-N 2 0 367.494 -0.839 20 0 FBADRP CN1CCN(C(=O)C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)[C@H](C[NH3+])C1 ZINC000561255458 483898773 /nfs/dbraw/zinc/89/87/73/483898773.db2.gz CJLMINPSBMFWBO-CVEARBPZSA-N 2 0 365.453 -0.354 20 0 FBADRP CN1CCN(C(=O)C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)[C@@H](C[NH3+])C1 ZINC000561255459 483898624 /nfs/dbraw/zinc/89/86/24/483898624.db2.gz CJLMINPSBMFWBO-HOTGVXAUSA-N 2 0 365.453 -0.354 20 0 FBADRP CN1CCN(C(=O)C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)[C@H](C[NH3+])C1 ZINC000561255460 483898478 /nfs/dbraw/zinc/89/84/78/483898478.db2.gz CJLMINPSBMFWBO-HZPDHXFCSA-N 2 0 365.453 -0.354 20 0 FBADRP CN1CCN(C(=O)C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)[C@@H](C[NH3+])C1 ZINC000561255462 483898487 /nfs/dbraw/zinc/89/84/87/483898487.db2.gz CJLMINPSBMFWBO-JKSUJKDBSA-N 2 0 365.453 -0.354 20 0 FBADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000561256402 483898794 /nfs/dbraw/zinc/89/87/94/483898794.db2.gz ISYFHHQCCOEXMY-FUHWJXTLSA-N 2 0 373.501 -0.088 20 0 FBADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000561256403 483898453 /nfs/dbraw/zinc/89/84/53/483898453.db2.gz ISYFHHQCCOEXMY-WMZOPIPTSA-N 2 0 373.501 -0.088 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)NCC3CC[NH2+]CC3)CC2)c1 ZINC000561267093 483899513 /nfs/dbraw/zinc/89/95/13/483899513.db2.gz FXSBBIRWKGCCHO-UHFFFAOYSA-N 2 0 361.446 -0.145 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCC[NH+]2CCCO[C@H](C)C2)C1 ZINC000561450326 483907233 /nfs/dbraw/zinc/90/72/33/483907233.db2.gz FHOQGRBISDYELS-CVEARBPZSA-N 2 0 370.494 -0.560 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCC[NH+]2CCCO[C@@H](C)C2)C1 ZINC000561450327 483906891 /nfs/dbraw/zinc/90/68/91/483906891.db2.gz FHOQGRBISDYELS-HOTGVXAUSA-N 2 0 370.494 -0.560 20 0 FBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCC[NH+]2CCCO[C@H](C)C2)C1 ZINC000561450328 483907173 /nfs/dbraw/zinc/90/71/73/483907173.db2.gz FHOQGRBISDYELS-HZPDHXFCSA-N 2 0 370.494 -0.560 20 0 FBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCC[NH+]2CCCO[C@@H](C)C2)C1 ZINC000561450329 483906933 /nfs/dbraw/zinc/90/69/33/483906933.db2.gz FHOQGRBISDYELS-JKSUJKDBSA-N 2 0 370.494 -0.560 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)C1 ZINC000561450364 483906184 /nfs/dbraw/zinc/90/61/84/483906184.db2.gz GPJQTCUMTHHRAA-HNNXBMFYSA-N 2 0 370.494 -0.608 20 0 FBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)C1 ZINC000561450365 483906860 /nfs/dbraw/zinc/90/68/60/483906860.db2.gz GPJQTCUMTHHRAA-OAHLLOKOSA-N 2 0 370.494 -0.608 20 0 FBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000561453758 483906634 /nfs/dbraw/zinc/90/66/34/483906634.db2.gz RJBPJMLYWRXQGB-CVEARBPZSA-N 2 0 352.479 -0.090 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000561453759 483906331 /nfs/dbraw/zinc/90/63/31/483906331.db2.gz RJBPJMLYWRXQGB-HOTGVXAUSA-N 2 0 352.479 -0.090 20 0 FBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC000561453760 483907302 /nfs/dbraw/zinc/90/73/02/483907302.db2.gz RJBPJMLYWRXQGB-HZPDHXFCSA-N 2 0 352.479 -0.090 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC000561453761 483906571 /nfs/dbraw/zinc/90/65/71/483906571.db2.gz RJBPJMLYWRXQGB-JKSUJKDBSA-N 2 0 352.479 -0.090 20 0 FBADRP CO[C@H]1C[C@@H](CN(C)C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)[NH+](C)C1 ZINC000561546219 483911359 /nfs/dbraw/zinc/91/13/59/483911359.db2.gz MLFNZCSSRYOLHW-KKUMJFAQSA-N 2 0 355.483 -0.313 20 0 FBADRP CO[C@H]1C[C@@H](CN(C)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)[NH+](C)C1 ZINC000561546220 483911733 /nfs/dbraw/zinc/91/17/33/483911733.db2.gz MLFNZCSSRYOLHW-SOUVJXGZSA-N 2 0 355.483 -0.313 20 0 FBADRP C[C@@H](C[NH+](C)C)NS(=O)(=O)CCCS(=O)(=O)N[C@@H](C)C[NH+](C)C ZINC000561548699 483912848 /nfs/dbraw/zinc/91/28/48/483912848.db2.gz IGBUXRKWYQPAPY-STQMWFEESA-N 2 0 372.557 -0.885 20 0 FBADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NCCOCC[NH+](C)C ZINC000561638938 483916721 /nfs/dbraw/zinc/91/67/21/483916721.db2.gz AHAZIIINOVOLFQ-OAHLLOKOSA-N 2 0 370.494 -0.608 20 0 FBADRP CCC(=O)N1CC[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000561647147 483919358 /nfs/dbraw/zinc/91/93/58/483919358.db2.gz IJCLCQFJKYAWSX-AWEZNQCLSA-N 2 0 355.483 -0.935 20 0 FBADRP CCC(=O)N1CC[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000561647156 483919266 /nfs/dbraw/zinc/91/92/66/483919266.db2.gz IJCLCQFJKYAWSX-CQSZACIVSA-N 2 0 355.483 -0.935 20 0 FBADRP C[NH+](C)CCOCCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000561741996 483925343 /nfs/dbraw/zinc/92/53/43/483925343.db2.gz AXCLXSGOADMDMU-CVEARBPZSA-N 2 0 370.494 -0.825 20 0 FBADRP C[NH+](C)CCOCCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000561741997 483925299 /nfs/dbraw/zinc/92/52/99/483925299.db2.gz AXCLXSGOADMDMU-HOTGVXAUSA-N 2 0 370.494 -0.825 20 0 FBADRP C[NH+](C)CCOCCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000561741998 483926967 /nfs/dbraw/zinc/92/69/67/483926967.db2.gz AXCLXSGOADMDMU-HZPDHXFCSA-N 2 0 370.494 -0.825 20 0 FBADRP C[NH+](C)CCOCCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000561742001 483927133 /nfs/dbraw/zinc/92/71/33/483927133.db2.gz AXCLXSGOADMDMU-JKSUJKDBSA-N 2 0 370.494 -0.825 20 0 FBADRP CN(C)c1ncc(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)n1C ZINC000561814196 483932786 /nfs/dbraw/zinc/93/27/86/483932786.db2.gz JFPZIJRFSFTVCT-UHFFFAOYSA-N 2 0 367.498 -0.946 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NC[C@H]1CCCC[NH+]1C1CC1 ZINC000561991840 483954865 /nfs/dbraw/zinc/95/48/65/483954865.db2.gz FQZFCDCMYOJOHZ-CVEARBPZSA-N 2 0 351.495 -0.519 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NC[C@@H]1CCCC[NH+]1C1CC1 ZINC000561991843 483954513 /nfs/dbraw/zinc/95/45/13/483954513.db2.gz FQZFCDCMYOJOHZ-HOTGVXAUSA-N 2 0 351.495 -0.519 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@H]1CCCC[NH+]1C1CC1 ZINC000561991845 483954258 /nfs/dbraw/zinc/95/42/58/483954258.db2.gz FQZFCDCMYOJOHZ-HZPDHXFCSA-N 2 0 351.495 -0.519 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@@H]1CCCC[NH+]1C1CC1 ZINC000561991847 483954212 /nfs/dbraw/zinc/95/42/12/483954212.db2.gz FQZFCDCMYOJOHZ-JKSUJKDBSA-N 2 0 351.495 -0.519 20 0 FBADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000561995680 483956942 /nfs/dbraw/zinc/95/69/42/483956942.db2.gz NRFDKGGUOCVACA-CVEARBPZSA-N 2 0 353.511 -0.319 20 0 FBADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000561995693 483957087 /nfs/dbraw/zinc/95/70/87/483957087.db2.gz NRFDKGGUOCVACA-HOTGVXAUSA-N 2 0 353.511 -0.319 20 0 FBADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000561995700 483957311 /nfs/dbraw/zinc/95/73/11/483957311.db2.gz NRFDKGGUOCVACA-HZPDHXFCSA-N 2 0 353.511 -0.319 20 0 FBADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000561995701 483956165 /nfs/dbraw/zinc/95/61/65/483956165.db2.gz NRFDKGGUOCVACA-JKSUJKDBSA-N 2 0 353.511 -0.319 20 0 FBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)CC[N@@H+]1C ZINC000561997452 483958787 /nfs/dbraw/zinc/95/87/87/483958787.db2.gz BJFOJNDFSDEAIO-CABCVRRESA-N 2 0 353.511 -0.273 20 0 FBADRP C[C@H]1C[C@@H](NC(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)CC[N@@H+]1C ZINC000561997453 483958263 /nfs/dbraw/zinc/95/82/63/483958263.db2.gz BJFOJNDFSDEAIO-GJZGRUSLSA-N 2 0 353.511 -0.273 20 0 FBADRP C[C@@H]1C[C@H](NC(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)CC[N@@H+]1C ZINC000561997454 483958632 /nfs/dbraw/zinc/95/86/32/483958632.db2.gz BJFOJNDFSDEAIO-HUUCEWRRSA-N 2 0 353.511 -0.273 20 0 FBADRP C[C@H]1C[C@H](NC(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)CC[N@@H+]1C ZINC000561997455 483958477 /nfs/dbraw/zinc/95/84/77/483958477.db2.gz BJFOJNDFSDEAIO-LSDHHAIUSA-N 2 0 353.511 -0.273 20 0 FBADRP CC(C)[NH+](CCCNC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C)C(C)C ZINC000561998285 483955829 /nfs/dbraw/zinc/95/58/29/483955829.db2.gz YTCKILYMIAPFTD-INIZCTEOSA-N 2 0 355.527 -0.027 20 0 FBADRP CC(C)[NH+](CCCNC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C)C(C)C ZINC000561998290 483955919 /nfs/dbraw/zinc/95/59/19/483955919.db2.gz YTCKILYMIAPFTD-MRXNPFEDSA-N 2 0 355.527 -0.027 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000562000095 483956601 /nfs/dbraw/zinc/95/66/01/483956601.db2.gz QLECMTYVIAWGKZ-CABCVRRESA-N 2 0 355.527 -0.169 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000562000101 483956080 /nfs/dbraw/zinc/95/60/80/483956080.db2.gz QLECMTYVIAWGKZ-GJZGRUSLSA-N 2 0 355.527 -0.169 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000562000104 483957287 /nfs/dbraw/zinc/95/72/87/483957287.db2.gz QLECMTYVIAWGKZ-HUUCEWRRSA-N 2 0 355.527 -0.169 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000562000106 483956344 /nfs/dbraw/zinc/95/63/44/483956344.db2.gz QLECMTYVIAWGKZ-LSDHHAIUSA-N 2 0 355.527 -0.169 20 0 FBADRP CCN(CCC[NH+](CC)CC)C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000562009599 483958169 /nfs/dbraw/zinc/95/81/69/483958169.db2.gz AXAWOWITOFMUNY-INIZCTEOSA-N 2 0 355.527 -0.071 20 0 FBADRP CCN(CCC[NH+](CC)CC)C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000562009600 483958152 /nfs/dbraw/zinc/95/81/52/483958152.db2.gz AXAWOWITOFMUNY-MRXNPFEDSA-N 2 0 355.527 -0.071 20 0 FBADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000562010097 483959934 /nfs/dbraw/zinc/95/99/34/483959934.db2.gz FGVPCBGIDLMVJO-BZUAXINKSA-N 2 0 353.511 -0.273 20 0 FBADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000562010098 483959582 /nfs/dbraw/zinc/95/95/82/483959582.db2.gz FGVPCBGIDLMVJO-OAGGEKHMSA-N 2 0 353.511 -0.273 20 0 FBADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000562010099 483959778 /nfs/dbraw/zinc/95/97/78/483959778.db2.gz FGVPCBGIDLMVJO-OWCLPIDISA-N 2 0 353.511 -0.273 20 0 FBADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000562010100 483959032 /nfs/dbraw/zinc/95/90/32/483959032.db2.gz FGVPCBGIDLMVJO-XHSDSOJGSA-N 2 0 353.511 -0.273 20 0 FBADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000562010103 483960028 /nfs/dbraw/zinc/96/00/28/483960028.db2.gz FPMFXAYQOZCXGZ-DLBZAZTESA-N 2 0 367.538 -0.025 20 0 FBADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000562010104 483959245 /nfs/dbraw/zinc/95/92/45/483959245.db2.gz FPMFXAYQOZCXGZ-IAGOWNOFSA-N 2 0 367.538 -0.025 20 0 FBADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000562010105 483958956 /nfs/dbraw/zinc/95/89/56/483958956.db2.gz FPMFXAYQOZCXGZ-IRXDYDNUSA-N 2 0 367.538 -0.025 20 0 FBADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000562010106 483959972 /nfs/dbraw/zinc/95/99/72/483959972.db2.gz FPMFXAYQOZCXGZ-SJORKVTESA-N 2 0 367.538 -0.025 20 0 FBADRP CC[NH+](CC)CC1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)CC1 ZINC000562011156 483958521 /nfs/dbraw/zinc/95/85/21/483958521.db2.gz RVDLXQIHOIZGJC-KRWDZBQOSA-N 2 0 367.538 -0.071 20 0 FBADRP CC[NH+](CC)CC1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC000562011157 483959157 /nfs/dbraw/zinc/95/91/57/483959157.db2.gz RVDLXQIHOIZGJC-QGZVFWFLSA-N 2 0 367.538 -0.071 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@@H]1[NH+](C)CCCC1(C)C ZINC000562011522 483959848 /nfs/dbraw/zinc/95/98/48/483959848.db2.gz ZBRNDEAKNIVQSW-CABCVRRESA-N 2 0 353.511 -0.415 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NC[C@@H]1[NH+](C)CCCC1(C)C ZINC000562011523 483958570 /nfs/dbraw/zinc/95/85/70/483958570.db2.gz ZBRNDEAKNIVQSW-GJZGRUSLSA-N 2 0 353.511 -0.415 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@H]1[NH+](C)CCCC1(C)C ZINC000562011524 483958909 /nfs/dbraw/zinc/95/89/09/483958909.db2.gz ZBRNDEAKNIVQSW-HUUCEWRRSA-N 2 0 353.511 -0.415 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NC[C@H]1[NH+](C)CCCC1(C)C ZINC000562011525 483957802 /nfs/dbraw/zinc/95/78/02/483957802.db2.gz ZBRNDEAKNIVQSW-LSDHHAIUSA-N 2 0 353.511 -0.415 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000562013494 483960595 /nfs/dbraw/zinc/96/05/95/483960595.db2.gz WJIOUIUPRAOHBG-CVEARBPZSA-N 2 0 351.495 -0.707 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000562013498 483961089 /nfs/dbraw/zinc/96/10/89/483961089.db2.gz WJIOUIUPRAOHBG-HOTGVXAUSA-N 2 0 351.495 -0.707 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000562013500 483961862 /nfs/dbraw/zinc/96/18/62/483961862.db2.gz WJIOUIUPRAOHBG-HZPDHXFCSA-N 2 0 351.495 -0.707 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000562013501 483961999 /nfs/dbraw/zinc/96/19/99/483961999.db2.gz WJIOUIUPRAOHBG-JKSUJKDBSA-N 2 0 351.495 -0.707 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CNS(=O)(=O)c1cccnc1 ZINC000562148656 483978118 /nfs/dbraw/zinc/97/81/18/483978118.db2.gz WWKGRKNFWQPSRR-UHFFFAOYSA-N 2 0 357.480 -0.688 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCc2c[nH]nc2C1 ZINC000562205696 483984744 /nfs/dbraw/zinc/98/47/44/483984744.db2.gz CPQLLDJWZVPTLP-AWEZNQCLSA-N 2 0 350.467 -0.665 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCc2c[nH]nc2C1 ZINC000562205699 483984766 /nfs/dbraw/zinc/98/47/66/483984766.db2.gz CPQLLDJWZVPTLP-CQSZACIVSA-N 2 0 350.467 -0.665 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000562814086 484029270 /nfs/dbraw/zinc/02/92/70/484029270.db2.gz FCCMNBOBKGMEBE-INIZCTEOSA-N 3 0 368.526 -0.524 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000562814087 484029376 /nfs/dbraw/zinc/02/93/76/484029376.db2.gz FCCMNBOBKGMEBE-MRXNPFEDSA-N 3 0 368.526 -0.524 20 0 FBADRP COC[C@]1(CNC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CCC[NH2+]1 ZINC000562815906 484032203 /nfs/dbraw/zinc/03/22/03/484032203.db2.gz HTHKBUKWOGURKJ-CRAIPNDOSA-N 2 0 367.494 -0.392 20 0 FBADRP COC[C@]1(CNC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CCC[NH2+]1 ZINC000562815910 484031980 /nfs/dbraw/zinc/03/19/80/484031980.db2.gz HTHKBUKWOGURKJ-MAUKXSAKSA-N 2 0 367.494 -0.392 20 0 FBADRP COC[C@@]1(CNC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CCC[NH2+]1 ZINC000562815911 484030859 /nfs/dbraw/zinc/03/08/59/484030859.db2.gz HTHKBUKWOGURKJ-QAPCUYQASA-N 2 0 367.494 -0.392 20 0 FBADRP COC[C@@]1(CNC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CCC[NH2+]1 ZINC000562815912 484031788 /nfs/dbraw/zinc/03/17/88/484031788.db2.gz HTHKBUKWOGURKJ-YJBOKZPZSA-N 2 0 367.494 -0.392 20 0 FBADRP O=C(CNC(=O)C(=O)NCCCCC[NH+]1CCCCC1)N1CC[NH2+]CC1 ZINC000562820517 484031799 /nfs/dbraw/zinc/03/17/99/484031799.db2.gz GAYZNJACCFKVFS-UHFFFAOYSA-N 2 0 367.494 -0.693 20 0 FBADRP C[C@@H](NC(=O)C(=O)NC1C[NH2+]C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000562822552 484030644 /nfs/dbraw/zinc/03/06/44/484030644.db2.gz RVSYKMRRFXNKDQ-GFCCVEGCSA-N 2 0 363.437 -0.157 20 0 FBADRP C[C@H](NC(=O)C(=O)NC1C[NH2+]C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000562822554 484031071 /nfs/dbraw/zinc/03/10/71/484031071.db2.gz RVSYKMRRFXNKDQ-LBPRGKRZSA-N 2 0 363.437 -0.157 20 0 FBADRP CN1CCN(C(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)[C@H](C[NH3+])C1 ZINC000562828965 484033715 /nfs/dbraw/zinc/03/37/15/484033715.db2.gz XYYASMSUCBCXFT-GOSISDBHSA-N 2 0 373.501 -0.348 20 0 FBADRP CN1CCN(C(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)[C@@H](C[NH3+])C1 ZINC000562828966 484032983 /nfs/dbraw/zinc/03/29/83/484032983.db2.gz XYYASMSUCBCXFT-SFHVURJKSA-N 2 0 373.501 -0.348 20 0 FBADRP CC(C)[NH2+]CCCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000562829160 484033143 /nfs/dbraw/zinc/03/31/43/484033143.db2.gz YPTDVDPWCZZNQR-HNNXBMFYSA-N 2 0 367.494 -0.744 20 0 FBADRP CC(C)[NH2+]CCCNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000562829161 484032735 /nfs/dbraw/zinc/03/27/35/484032735.db2.gz YPTDVDPWCZZNQR-OAHLLOKOSA-N 2 0 367.494 -0.744 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000562829287 484033754 /nfs/dbraw/zinc/03/37/54/484033754.db2.gz RQINMXBHVDDABP-INIZCTEOSA-N 3 0 355.527 -0.038 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000562829288 484033219 /nfs/dbraw/zinc/03/32/19/484033219.db2.gz RQINMXBHVDDABP-MRXNPFEDSA-N 3 0 355.527 -0.038 20 0 FBADRP CN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000562829657 484032954 /nfs/dbraw/zinc/03/29/54/484032954.db2.gz ZYYFYBHLUMQWFO-GFCCVEGCSA-N 2 0 367.416 -0.651 20 0 FBADRP CN(CCC[NH+](C)C)C(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000562829662 484033741 /nfs/dbraw/zinc/03/37/41/484033741.db2.gz ZYYFYBHLUMQWFO-LBPRGKRZSA-N 2 0 367.416 -0.651 20 0 FBADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000562833633 484033176 /nfs/dbraw/zinc/03/31/76/484033176.db2.gz VTBAJLYHCAQXAI-UHFFFAOYSA-N 2 0 367.538 -0.023 20 0 FBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000562857520 484034863 /nfs/dbraw/zinc/03/48/63/484034863.db2.gz PXDNXUVZUKHHHM-HNNXBMFYSA-N 3 0 355.527 -0.073 20 0 FBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000562857524 484035819 /nfs/dbraw/zinc/03/58/19/484035819.db2.gz PXDNXUVZUKHHHM-OAHLLOKOSA-N 3 0 355.527 -0.073 20 0 FBADRP CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CC1 ZINC000562957815 484066697 /nfs/dbraw/zinc/06/66/97/484066697.db2.gz RFYVISRVJUCOJM-INIZCTEOSA-N 2 0 365.522 -0.175 20 0 FBADRP CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CC1 ZINC000562957816 484067946 /nfs/dbraw/zinc/06/79/46/484067946.db2.gz RFYVISRVJUCOJM-MRXNPFEDSA-N 2 0 365.522 -0.175 20 0 FBADRP CN1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)[C@@H](C[NH3+])C1 ZINC000562961651 484070183 /nfs/dbraw/zinc/07/01/83/484070183.db2.gz ITSXBTFGWKLHAG-BHYGNILZSA-N 2 0 363.506 -0.437 20 0 FBADRP CN1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)[C@H](C[NH3+])C1 ZINC000562961652 484069740 /nfs/dbraw/zinc/06/97/40/484069740.db2.gz ITSXBTFGWKLHAG-DJIMGWMZSA-N 2 0 363.506 -0.437 20 0 FBADRP CN1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)[C@@H](C[NH3+])C1 ZINC000562961653 484069530 /nfs/dbraw/zinc/06/95/30/484069530.db2.gz ITSXBTFGWKLHAG-HYVNUMGLSA-N 2 0 363.506 -0.437 20 0 FBADRP CN1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)[C@H](C[NH3+])C1 ZINC000562961654 484069498 /nfs/dbraw/zinc/06/94/98/484069498.db2.gz ITSXBTFGWKLHAG-USXIJHARSA-N 2 0 363.506 -0.437 20 0 FBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000562984119 484371450 /nfs/dbraw/zinc/37/14/50/484371450.db2.gz BDGMCGDEBVAKIE-HNNXBMFYSA-N 2 0 367.494 -0.561 20 0 FBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000562984120 484371943 /nfs/dbraw/zinc/37/19/43/484371943.db2.gz BDGMCGDEBVAKIE-OAHLLOKOSA-N 2 0 367.494 -0.561 20 0 FBADRP CCNS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000562995289 484389457 /nfs/dbraw/zinc/38/94/57/484389457.db2.gz BPSVUCURDVZAOL-INIZCTEOSA-N 2 0 370.519 -0.317 20 0 FBADRP CCNS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000562995290 484390131 /nfs/dbraw/zinc/39/01/31/484390131.db2.gz BPSVUCURDVZAOL-MRXNPFEDSA-N 2 0 370.519 -0.317 20 0 FBADRP Cc1cc(N2CCC[C@H]([NH2+]C[C@@H](O)CN3CC[NH+](C)CC3)C2)n(C)n1 ZINC000563002509 484396935 /nfs/dbraw/zinc/39/69/35/484396935.db2.gz GPIQOYKJZXIMHX-DLBZAZTESA-N 2 0 350.511 -0.105 20 0 FBADRP Cc1cc(N2CCC[C@@H]([NH2+]C[C@@H](O)CN3CC[NH+](C)CC3)C2)n(C)n1 ZINC000563002510 484396622 /nfs/dbraw/zinc/39/66/22/484396622.db2.gz GPIQOYKJZXIMHX-IAGOWNOFSA-N 2 0 350.511 -0.105 20 0 FBADRP Cc1cc(N2CCC[C@H]([NH2+]C[C@H](O)CN3CC[NH+](C)CC3)C2)n(C)n1 ZINC000563002511 484396909 /nfs/dbraw/zinc/39/69/09/484396909.db2.gz GPIQOYKJZXIMHX-IRXDYDNUSA-N 2 0 350.511 -0.105 20 0 FBADRP Cc1cc(N2CCC[C@@H]([NH2+]C[C@H](O)CN3CC[NH+](C)CC3)C2)n(C)n1 ZINC000563002513 484397413 /nfs/dbraw/zinc/39/74/13/484397413.db2.gz GPIQOYKJZXIMHX-SJORKVTESA-N 2 0 350.511 -0.105 20 0 FBADRP COC[C@]1(C(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC[NH2+]C1 ZINC000563038419 483430964 /nfs/dbraw/zinc/43/09/64/483430964.db2.gz OVBIKLBILMNUBX-DAYGRLMNSA-N 2 0 352.479 -0.281 20 0 FBADRP COC[C@]1(C(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC[NH2+]C1 ZINC000563038420 483431646 /nfs/dbraw/zinc/43/16/46/483431646.db2.gz OVBIKLBILMNUBX-MPGHIAIKSA-N 2 0 352.479 -0.281 20 0 FBADRP COC[C@]1(C(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC[NH2+]C1 ZINC000563038421 483431752 /nfs/dbraw/zinc/43/17/52/483431752.db2.gz OVBIKLBILMNUBX-RKVPGOIHSA-N 2 0 352.479 -0.281 20 0 FBADRP COC[C@]1(C(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC[NH2+]C1 ZINC000563038422 483431204 /nfs/dbraw/zinc/43/12/04/483431204.db2.gz OVBIKLBILMNUBX-VKJFTORMSA-N 2 0 352.479 -0.281 20 0 FBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)COC2CCC([NH3+])CC2)cn1 ZINC000563083637 483770679 /nfs/dbraw/zinc/77/06/79/483770679.db2.gz TUFQPPOYJSAPIQ-UHFFFAOYSA-N 2 0 366.466 -0.214 20 0 FBADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000563109594 483859297 /nfs/dbraw/zinc/85/92/97/483859297.db2.gz RALBSLZZUNBHKC-KBPBESRZSA-N 2 0 353.467 -0.909 20 0 FBADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000563109595 483859203 /nfs/dbraw/zinc/85/92/03/483859203.db2.gz RALBSLZZUNBHKC-KGLIPLIRSA-N 2 0 353.467 -0.909 20 0 FBADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000563109596 483859059 /nfs/dbraw/zinc/85/90/59/483859059.db2.gz RALBSLZZUNBHKC-UONOGXRCSA-N 2 0 353.467 -0.909 20 0 FBADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000563109597 483859037 /nfs/dbraw/zinc/85/90/37/483859037.db2.gz RALBSLZZUNBHKC-ZIAGYGMSSA-N 2 0 353.467 -0.909 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N(C)CCC[NH+](C)C)CC1 ZINC000563131531 483864861 /nfs/dbraw/zinc/86/48/61/483864861.db2.gz RQFMLYTUSXRAIM-UHFFFAOYSA-N 2 0 369.510 -0.591 20 0 FBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@H]2C[C@H](O)CN2Cc2ccccc2)CC1 ZINC000563138084 483865167 /nfs/dbraw/zinc/86/51/67/483865167.db2.gz NAESHHGVIMTUOB-HSALFYBXSA-N 2 0 362.518 -0.180 20 0 FBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@@H]2C[C@H](O)CN2Cc2ccccc2)CC1 ZINC000563138088 483865235 /nfs/dbraw/zinc/86/52/35/483865235.db2.gz NAESHHGVIMTUOB-SLFFLAALSA-N 2 0 362.518 -0.180 20 0 FBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@H]2C[C@@H](O)CN2Cc2ccccc2)CC1 ZINC000563138090 483865435 /nfs/dbraw/zinc/86/54/35/483865435.db2.gz NAESHHGVIMTUOB-VAMGGRTRSA-N 2 0 362.518 -0.180 20 0 FBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@@H]2C[C@@H](O)CN2Cc2ccccc2)CC1 ZINC000563138094 483865300 /nfs/dbraw/zinc/86/53/00/483865300.db2.gz NAESHHGVIMTUOB-XUVXKRRUSA-N 2 0 362.518 -0.180 20 0 FBADRP CCOC(=O)CNC(=O)C1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000563155054 483868563 /nfs/dbraw/zinc/86/85/63/483868563.db2.gz ZGBABEJRTYKMDA-UHFFFAOYSA-N 2 0 354.451 -0.800 20 0 FBADRP C[C@@H]([NH2+]C1CC1)C(=O)N(C)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000563160832 483889629 /nfs/dbraw/zinc/88/96/29/483889629.db2.gz SVYNGTDTDINKBB-OAHLLOKOSA-N 2 0 365.522 -0.176 20 0 FBADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C1(n2cccn2)CC[NH2+]CC1 ZINC000563167228 483897813 /nfs/dbraw/zinc/89/78/13/483897813.db2.gz ZQKCPCCSRIYKBD-CYBMUJFWSA-N 2 0 374.411 -0.086 20 0 FBADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C1(n2cccn2)CC[NH2+]CC1 ZINC000563167230 483897407 /nfs/dbraw/zinc/89/74/07/483897407.db2.gz ZQKCPCCSRIYKBD-ZDUSSCGKSA-N 2 0 374.411 -0.086 20 0 FBADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCCN1CC[NH2+]CC1 ZINC000563210056 483917270 /nfs/dbraw/zinc/91/72/70/483917270.db2.gz BVTTXCFJQHUZCJ-UHFFFAOYSA-N 2 0 358.512 -0.755 20 0 FBADRP CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000563214926 483921154 /nfs/dbraw/zinc/92/11/54/483921154.db2.gz KSMDNGXZYOJSEG-DLBZAZTESA-N 2 0 365.522 -0.460 20 0 FBADRP CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000563214931 483920787 /nfs/dbraw/zinc/92/07/87/483920787.db2.gz KSMDNGXZYOJSEG-IAGOWNOFSA-N 2 0 365.522 -0.460 20 0 FBADRP CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000563214933 483919903 /nfs/dbraw/zinc/91/99/03/483919903.db2.gz KSMDNGXZYOJSEG-IRXDYDNUSA-N 2 0 365.522 -0.460 20 0 FBADRP CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000563214935 483920486 /nfs/dbraw/zinc/92/04/86/483920486.db2.gz KSMDNGXZYOJSEG-SJORKVTESA-N 2 0 365.522 -0.460 20 0 FBADRP CC(C)[C@H](CNC(=O)C(=O)N1CCC(CC[NH3+])CC1)N1CC[NH+](C)CC1 ZINC000563292414 483966517 /nfs/dbraw/zinc/96/65/17/483966517.db2.gz PANWUSUFYLBTBO-KRWDZBQOSA-N 2 0 367.538 -0.038 20 0 FBADRP CC(C)[C@@H](CNC(=O)C(=O)N1CCC(CC[NH3+])CC1)N1CC[NH+](C)CC1 ZINC000563292416 483965974 /nfs/dbraw/zinc/96/59/74/483965974.db2.gz PANWUSUFYLBTBO-QGZVFWFLSA-N 2 0 367.538 -0.038 20 0 FBADRP COCC[NH2+]C1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000563302942 483974356 /nfs/dbraw/zinc/97/43/56/483974356.db2.gz QFCDKKXRPHDHNT-INIZCTEOSA-N 2 0 352.479 -0.092 20 0 FBADRP COCC[NH2+]C1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000563302945 483974697 /nfs/dbraw/zinc/97/46/97/483974697.db2.gz QFCDKKXRPHDHNT-MRXNPFEDSA-N 2 0 352.479 -0.092 20 0 FBADRP C[C@@H](CNC(=O)C(=O)NCC[N@H+](C)C1CCCC1)C[NH+]1CCN(C)CC1 ZINC000563321768 484060166 /nfs/dbraw/zinc/06/01/66/484060166.db2.gz SDCPXYNRUXGJPY-INIZCTEOSA-N 2 0 367.538 -0.023 20 0 FBADRP C[C@H](CNC(=O)C(=O)NCC[N@H+](C)C1CCCC1)C[NH+]1CCN(C)CC1 ZINC000563321770 484061210 /nfs/dbraw/zinc/06/12/10/484061210.db2.gz SDCPXYNRUXGJPY-MRXNPFEDSA-N 2 0 367.538 -0.023 20 0 FBADRP COC[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC000563386710 484076141 /nfs/dbraw/zinc/07/61/41/484076141.db2.gz JZQWZZDWMXQLPE-JYJNAYRXSA-N 2 0 354.495 -0.083 20 0 FBADRP COC[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC000563386712 484075859 /nfs/dbraw/zinc/07/58/59/484075859.db2.gz JZQWZZDWMXQLPE-OAGGEKHMSA-N 2 0 354.495 -0.083 20 0 FBADRP COC[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC000563386714 484075900 /nfs/dbraw/zinc/07/59/00/484075900.db2.gz JZQWZZDWMXQLPE-PMPSAXMXSA-N 2 0 354.495 -0.083 20 0 FBADRP COC[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC000563386717 484075556 /nfs/dbraw/zinc/07/55/56/484075556.db2.gz JZQWZZDWMXQLPE-XHSDSOJGSA-N 2 0 354.495 -0.083 20 0 FBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000563453888 484107564 /nfs/dbraw/zinc/10/75/64/484107564.db2.gz HWCCMYSFYGSQLW-HNNXBMFYSA-N 3 0 360.462 -0.812 20 0 FBADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000563457568 484107328 /nfs/dbraw/zinc/10/73/28/484107328.db2.gz MEQGDWCVZANPTC-JYJNAYRXSA-N 2 0 351.495 -0.519 20 0 FBADRP Cc1cc(C[C@@H](C)NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)[nH]n1 ZINC000563467736 484121252 /nfs/dbraw/zinc/12/12/52/484121252.db2.gz CKTXJFFFMGREQY-CYBMUJFWSA-N 2 0 352.483 -0.283 20 0 FBADRP Cc1cc(C[C@H](C)NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)[nH]n1 ZINC000563467740 484121196 /nfs/dbraw/zinc/12/11/96/484121196.db2.gz CKTXJFFFMGREQY-ZDUSSCGKSA-N 2 0 352.483 -0.283 20 0 FBADRP COC(=O)C[C@H]([NH3+])C(=O)NCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000563534000 484140432 /nfs/dbraw/zinc/14/04/32/484140432.db2.gz IXFPGNIKKXSECL-AWEZNQCLSA-N 2 0 350.419 -0.515 20 0 FBADRP NC(=O)Cn1cc(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000563535310 484140328 /nfs/dbraw/zinc/14/03/28/484140328.db2.gz VIVQUAAIJWKLHU-UHFFFAOYSA-N 2 0 371.445 -0.513 20 0 FBADRP CN(CCC[NH3+])C(=O)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000563548343 484141549 /nfs/dbraw/zinc/14/15/49/484141549.db2.gz CKAALRGIIYDFCP-UHFFFAOYSA-N 2 0 363.462 -0.599 20 0 FBADRP O=C(CNC(=O)N1CCC(CC[NH+]2CCOCC2)CC1)N1CC[NH2+]CC1 ZINC000563595184 484149271 /nfs/dbraw/zinc/14/92/71/484149271.db2.gz PYJVWYVHPCDAQF-UHFFFAOYSA-N 2 0 367.494 -0.438 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000563609998 484150487 /nfs/dbraw/zinc/15/04/87/484150487.db2.gz VEYBQZPFQDZVSY-HNNXBMFYSA-N 2 0 355.483 -0.440 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000563609999 484150302 /nfs/dbraw/zinc/15/03/02/484150302.db2.gz VEYBQZPFQDZVSY-OAHLLOKOSA-N 2 0 355.483 -0.440 20 0 FBADRP CN1CCN(C(=O)C(=O)NCCCCC[NH+]2CCCCC2)[C@@H](C[NH3+])C1 ZINC000563611252 484150450 /nfs/dbraw/zinc/15/04/50/484150450.db2.gz RVZAYGGCROUQFQ-INIZCTEOSA-N 2 0 353.511 -0.140 20 0 FBADRP CN1CCN(C(=O)C(=O)NCCCCC[NH+]2CCCCC2)[C@H](C[NH3+])C1 ZINC000563611255 484150393 /nfs/dbraw/zinc/15/03/93/484150393.db2.gz RVZAYGGCROUQFQ-MRXNPFEDSA-N 2 0 353.511 -0.140 20 0 FBADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1)CC(C)C ZINC000563615417 484153845 /nfs/dbraw/zinc/15/38/45/484153845.db2.gz NGDXPUYYLITWLU-HNNXBMFYSA-N 2 0 369.510 -0.593 20 0 FBADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1)CC(C)C ZINC000563615419 484154066 /nfs/dbraw/zinc/15/40/66/484154066.db2.gz NGDXPUYYLITWLU-OAHLLOKOSA-N 2 0 369.510 -0.593 20 0 FBADRP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)C[C@@H]2CSCC[NH2+]2)c1 ZINC000563623127 484165601 /nfs/dbraw/zinc/16/56/01/484165601.db2.gz FRRDCNBXNYYULF-GFCCVEGCSA-N 2 0 358.489 -0.043 20 0 FBADRP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)C[C@H]2CSCC[NH2+]2)c1 ZINC000563623137 484165330 /nfs/dbraw/zinc/16/53/30/484165330.db2.gz FRRDCNBXNYYULF-LBPRGKRZSA-N 2 0 358.489 -0.043 20 0 FBADRP CN1CCN(C(=O)C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)[C@@H](C[NH3+])C1 ZINC000563633453 484178957 /nfs/dbraw/zinc/17/89/57/484178957.db2.gz KAFJJTBXBDQKLJ-KRWDZBQOSA-N 2 0 374.489 -0.485 20 0 FBADRP CN1CCN(C(=O)C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)[C@H](C[NH3+])C1 ZINC000563633459 484177958 /nfs/dbraw/zinc/17/79/58/484177958.db2.gz KAFJJTBXBDQKLJ-QGZVFWFLSA-N 2 0 374.489 -0.485 20 0 FBADRP Cc1cccc(N2CC[NH+](CCCNC(=O)C(=O)NC3C[NH2+]C3)CC2)c1 ZINC000563644628 484182339 /nfs/dbraw/zinc/18/23/39/484182339.db2.gz KNWALQCEAXELNF-UHFFFAOYSA-N 2 0 359.474 -0.289 20 0 FBADRP C[N@H+](CCN1CCN(C(=O)C(=O)NC2C[NH2+]C2)CC1)Cc1ccccc1 ZINC000563645482 484182392 /nfs/dbraw/zinc/18/23/92/484182392.db2.gz WAKMHAOEMPLJOD-UHFFFAOYSA-N 2 0 359.474 -0.649 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000563647540 484182415 /nfs/dbraw/zinc/18/24/15/484182415.db2.gz IOTODPHIBWLQLS-ARFHVFGLSA-N 3 0 353.511 -0.558 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000563647566 484182013 /nfs/dbraw/zinc/18/20/13/484182013.db2.gz IOTODPHIBWLQLS-BZUAXINKSA-N 3 0 353.511 -0.558 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000563647567 484181809 /nfs/dbraw/zinc/18/18/09/484181809.db2.gz IOTODPHIBWLQLS-HRCADAONSA-N 3 0 353.511 -0.558 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000563647570 484182460 /nfs/dbraw/zinc/18/24/60/484182460.db2.gz IOTODPHIBWLQLS-OWCLPIDISA-N 3 0 353.511 -0.558 20 0 FBADRP C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000563652098 484184191 /nfs/dbraw/zinc/18/41/91/484184191.db2.gz TVTQWLKIXIXULZ-HNNXBMFYSA-N 2 0 355.527 -0.086 20 0 FBADRP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000563652100 484183751 /nfs/dbraw/zinc/18/37/51/484183751.db2.gz TVTQWLKIXIXULZ-OAHLLOKOSA-N 2 0 355.527 -0.086 20 0 FBADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000563653492 484184118 /nfs/dbraw/zinc/18/41/18/484184118.db2.gz IFIHQJLFXUQLBA-KBPBESRZSA-N 3 0 357.499 -0.833 20 0 FBADRP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000563653499 484184964 /nfs/dbraw/zinc/18/49/64/484184964.db2.gz IFIHQJLFXUQLBA-KGLIPLIRSA-N 3 0 357.499 -0.833 20 0 FBADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000563653500 484184097 /nfs/dbraw/zinc/18/40/97/484184097.db2.gz IFIHQJLFXUQLBA-UONOGXRCSA-N 3 0 357.499 -0.833 20 0 FBADRP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000563653501 484184377 /nfs/dbraw/zinc/18/43/77/484184377.db2.gz IFIHQJLFXUQLBA-ZIAGYGMSSA-N 3 0 357.499 -0.833 20 0 FBADRP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000563660172 484186531 /nfs/dbraw/zinc/18/65/31/484186531.db2.gz IUCMPIACKQKXDI-UHFFFAOYSA-N 2 0 367.538 -0.023 20 0 FBADRP CC[NH2+]CCCNC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000563660801 484186747 /nfs/dbraw/zinc/18/67/47/484186747.db2.gz OQCLIXRKDOHQJV-INIZCTEOSA-N 2 0 353.511 -0.269 20 0 FBADRP CC[NH2+]CCCNC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000563660823 484185968 /nfs/dbraw/zinc/18/59/68/484185968.db2.gz OQCLIXRKDOHQJV-MRXNPFEDSA-N 2 0 353.511 -0.269 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCC2CC[NH2+]CC2)CC1 ZINC000563661435 484186638 /nfs/dbraw/zinc/18/66/38/484186638.db2.gz XJYHWTJMZUJYOL-UHFFFAOYSA-N 2 0 367.494 -0.885 20 0 FBADRP C[NH+]1CCN(c2ccc(CNC(=O)CCNC(=O)[C@@H]3CCC[NH2+]3)cn2)CC1 ZINC000563709813 484020773 /nfs/dbraw/zinc/02/07/73/484020773.db2.gz XVJBQZSJMDIJJO-INIZCTEOSA-N 2 0 374.489 -0.292 20 0 FBADRP C[NH+]1CCN(c2ccc(CNC(=O)CCNC(=O)[C@H]3CCC[NH2+]3)cn2)CC1 ZINC000563709822 484020522 /nfs/dbraw/zinc/02/05/22/484020522.db2.gz XVJBQZSJMDIJJO-MRXNPFEDSA-N 2 0 374.489 -0.292 20 0 FBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC1(C)C ZINC000563743790 484038963 /nfs/dbraw/zinc/03/89/63/484038963.db2.gz VBLXCYLMXQWJCG-INIZCTEOSA-N 2 0 365.522 -0.175 20 0 FBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC1(C)C ZINC000563743791 484039161 /nfs/dbraw/zinc/03/91/61/484039161.db2.gz VBLXCYLMXQWJCG-MRXNPFEDSA-N 2 0 365.522 -0.175 20 0 FBADRP CNS(=O)(=O)c1ccc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)nc1 ZINC000563763067 484040051 /nfs/dbraw/zinc/04/00/51/484040051.db2.gz ZMNAEWDKYGPISH-UHFFFAOYSA-N 2 0 372.495 -0.053 20 0 FBADRP CCn1nccc1N1CCC[C@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C1=O ZINC000563805461 484050821 /nfs/dbraw/zinc/05/08/21/484050821.db2.gz HCQXFSMSJUHHFL-CVEARBPZSA-N 2 0 364.494 -0.404 20 0 FBADRP CCn1nccc1N1CCC[C@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)C1=O ZINC000563805462 484050404 /nfs/dbraw/zinc/05/04/04/484050404.db2.gz HCQXFSMSJUHHFL-HOTGVXAUSA-N 2 0 364.494 -0.404 20 0 FBADRP CCn1nccc1N1CCC[C@@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C1=O ZINC000563805463 484050911 /nfs/dbraw/zinc/05/09/11/484050911.db2.gz HCQXFSMSJUHHFL-HZPDHXFCSA-N 2 0 364.494 -0.404 20 0 FBADRP CCn1nccc1N1CCC[C@@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)C1=O ZINC000563805464 484050747 /nfs/dbraw/zinc/05/07/47/484050747.db2.gz HCQXFSMSJUHHFL-JKSUJKDBSA-N 2 0 364.494 -0.404 20 0 FBADRP CC[NH+](CC)CC(=O)NC[C@H]1CN(C(=O)C[NH+](CC)CC)CCN1C ZINC000563816980 484052260 /nfs/dbraw/zinc/05/22/60/484052260.db2.gz TVOLMNNBUSXWNS-INIZCTEOSA-N 2 0 355.527 -0.071 20 0 FBADRP CC[NH+](CC)CC(=O)NC[C@@H]1CN(C(=O)C[NH+](CC)CC)CCN1C ZINC000563816985 484052587 /nfs/dbraw/zinc/05/25/87/484052587.db2.gz TVOLMNNBUSXWNS-MRXNPFEDSA-N 2 0 355.527 -0.071 20 0 FBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000563875993 484075105 /nfs/dbraw/zinc/07/51/05/484075105.db2.gz SCOOVIWEHHCEJI-CRAIPNDOSA-N 2 0 352.479 -0.185 20 0 FBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000563875994 484074895 /nfs/dbraw/zinc/07/48/95/484074895.db2.gz SCOOVIWEHHCEJI-MAUKXSAKSA-N 2 0 352.479 -0.185 20 0 FBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000563875995 484074916 /nfs/dbraw/zinc/07/49/16/484074916.db2.gz SCOOVIWEHHCEJI-QAPCUYQASA-N 2 0 352.479 -0.185 20 0 FBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000563875996 484075442 /nfs/dbraw/zinc/07/54/42/484075442.db2.gz SCOOVIWEHHCEJI-YJBOKZPZSA-N 2 0 352.479 -0.185 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN(C)C[C@H]2C[NH3+])CC1=O ZINC000563888347 484085330 /nfs/dbraw/zinc/08/53/30/484085330.db2.gz JHBXADSAAFPERF-ARFHVFGLSA-N 2 0 351.495 -0.580 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN(C)C[C@H]2C[NH3+])CC1=O ZINC000563888348 484084196 /nfs/dbraw/zinc/08/41/96/484084196.db2.gz JHBXADSAAFPERF-BZUAXINKSA-N 2 0 351.495 -0.580 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN(C)C[C@@H]2C[NH3+])CC1=O ZINC000563888349 484084306 /nfs/dbraw/zinc/08/43/06/484084306.db2.gz JHBXADSAAFPERF-OAGGEKHMSA-N 2 0 351.495 -0.580 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN(C)C[C@@H]2C[NH3+])CC1=O ZINC000563888351 484084371 /nfs/dbraw/zinc/08/43/71/484084371.db2.gz JHBXADSAAFPERF-XHSDSOJGSA-N 2 0 351.495 -0.580 20 0 FBADRP COCC[NH2+]C1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000563893528 484157586 /nfs/dbraw/zinc/15/75/86/484157586.db2.gz CQOHMWJVDPNFLJ-CVEARBPZSA-N 2 0 352.479 -0.092 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1ccccc1S(N)(=O)=O ZINC000563958127 484535854 /nfs/dbraw/zinc/53/58/54/484535854.db2.gz SDCSDSCHJOWUKN-UHFFFAOYSA-N 2 0 371.507 -0.031 20 0 FBADRP NC(=O)C[C@@H]1COCC[NH+]1CCCCC[N@H+]1CCOC[C@@H]1CC(N)=O ZINC000563971308 484536012 /nfs/dbraw/zinc/53/60/12/484536012.db2.gz OSGSJNWKLKMEGS-GASCZTMLSA-N 2 0 356.467 -0.691 20 0 FBADRP NC(=O)C[C@H]1COCC[NH+]1CCCCC[N@H+]1CCOC[C@@H]1CC(N)=O ZINC000563971315 484535350 /nfs/dbraw/zinc/53/53/50/484535350.db2.gz OSGSJNWKLKMEGS-GJZGRUSLSA-N 2 0 356.467 -0.691 20 0 FBADRP NC(=O)C[C@@H]1COCC[NH+]1CCCCC[N@H+]1CCOC[C@H]1CC(N)=O ZINC000563971316 484535292 /nfs/dbraw/zinc/53/52/92/484535292.db2.gz OSGSJNWKLKMEGS-HUUCEWRRSA-N 2 0 356.467 -0.691 20 0 FBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000563985512 484539178 /nfs/dbraw/zinc/53/91/78/484539178.db2.gz DOCPNPBZZBAZBD-CVEARBPZSA-N 2 0 352.479 -0.090 20 0 FBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000563985515 484539429 /nfs/dbraw/zinc/53/94/29/484539429.db2.gz DOCPNPBZZBAZBD-HOTGVXAUSA-N 2 0 352.479 -0.090 20 0 FBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000563985516 484538871 /nfs/dbraw/zinc/53/88/71/484538871.db2.gz DOCPNPBZZBAZBD-HZPDHXFCSA-N 2 0 352.479 -0.090 20 0 FBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000563985517 484539220 /nfs/dbraw/zinc/53/92/20/484539220.db2.gz DOCPNPBZZBAZBD-JKSUJKDBSA-N 2 0 352.479 -0.090 20 0 FBADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)NC3C[NH2+]C3)cc2)CC1 ZINC000564064814 484675226 /nfs/dbraw/zinc/67/52/26/484675226.db2.gz JXOMTNXFXLJXLD-UHFFFAOYSA-N 2 0 359.474 -0.472 20 0 FBADRP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+](C)CCCN(C)CC[NH+](C)C)CC1 ZINC000564123537 484686176 /nfs/dbraw/zinc/68/61/76/484686176.db2.gz JCOFPIAYWDKDFT-INIZCTEOSA-N 2 0 355.527 -0.119 20 0 FBADRP CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+](C)CCCN(C)CC[NH+](C)C)CC1 ZINC000564123538 484686488 /nfs/dbraw/zinc/68/64/88/484686488.db2.gz JCOFPIAYWDKDFT-MRXNPFEDSA-N 2 0 355.527 -0.119 20 0 FBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000564206155 484545084 /nfs/dbraw/zinc/54/50/84/484545084.db2.gz SZIIEPAMOATEQH-CABCVRRESA-N 2 0 367.494 -0.696 20 0 FBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000564206156 484544773 /nfs/dbraw/zinc/54/47/73/484544773.db2.gz SZIIEPAMOATEQH-GJZGRUSLSA-N 2 0 367.494 -0.696 20 0 FBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000564206157 484545425 /nfs/dbraw/zinc/54/54/25/484545425.db2.gz SZIIEPAMOATEQH-HUUCEWRRSA-N 2 0 367.494 -0.696 20 0 FBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000564206158 484545386 /nfs/dbraw/zinc/54/53/86/484545386.db2.gz SZIIEPAMOATEQH-LSDHHAIUSA-N 2 0 367.494 -0.696 20 0 FBADRP C[NH+]1CCN(c2cc(C(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)ccn2)CC1 ZINC000564228333 484590346 /nfs/dbraw/zinc/59/03/46/484590346.db2.gz ZVEHRVFWOUOLJM-CABCVRRESA-N 2 0 358.446 -0.783 20 0 FBADRP C[NH+]1CCN(c2cc(C(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)ccn2)CC1 ZINC000564228334 484591099 /nfs/dbraw/zinc/59/10/99/484591099.db2.gz ZVEHRVFWOUOLJM-GJZGRUSLSA-N 2 0 358.446 -0.783 20 0 FBADRP C[NH+]1CCN(c2cc(C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)ccn2)CC1 ZINC000564228335 484591204 /nfs/dbraw/zinc/59/12/04/484591204.db2.gz ZVEHRVFWOUOLJM-HUUCEWRRSA-N 2 0 358.446 -0.783 20 0 FBADRP C[NH+]1CCN(c2cc(C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)ccn2)CC1 ZINC000564228336 484590979 /nfs/dbraw/zinc/59/09/79/484590979.db2.gz ZVEHRVFWOUOLJM-LSDHHAIUSA-N 2 0 358.446 -0.783 20 0 FBADRP C[C@@H](CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)C[NH+]1CCN(C)CC1 ZINC000564232204 484599571 /nfs/dbraw/zinc/59/95/71/484599571.db2.gz ILZZSFABABPAPE-DLBZAZTESA-N 2 0 365.522 -0.317 20 0 FBADRP C[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)C[NH+]1CCN(C)CC1 ZINC000564232211 484599998 /nfs/dbraw/zinc/59/99/98/484599998.db2.gz ILZZSFABABPAPE-IAGOWNOFSA-N 2 0 365.522 -0.317 20 0 FBADRP C[C@@H](CNC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1)C[NH+]1CCN(C)CC1 ZINC000564232212 484599879 /nfs/dbraw/zinc/59/98/79/484599879.db2.gz ILZZSFABABPAPE-IRXDYDNUSA-N 2 0 365.522 -0.317 20 0 FBADRP C[C@H](CNC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1)C[NH+]1CCN(C)CC1 ZINC000564232214 484600039 /nfs/dbraw/zinc/60/00/39/484600039.db2.gz ILZZSFABABPAPE-SJORKVTESA-N 2 0 365.522 -0.317 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCn2ccnc2C1 ZINC000564273042 484679955 /nfs/dbraw/zinc/67/99/55/484679955.db2.gz RVGNGPJATQLIKO-AWEZNQCLSA-N 2 0 350.467 -0.734 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCn2ccnc2C1 ZINC000564273091 484679797 /nfs/dbraw/zinc/67/97/97/484679797.db2.gz RVGNGPJATQLIKO-CQSZACIVSA-N 2 0 350.467 -0.734 20 0 FBADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)c1 ZINC000564469741 483799320 /nfs/dbraw/zinc/79/93/20/483799320.db2.gz BKLHAMGFQCGEDM-HNNXBMFYSA-N 2 0 361.446 -0.928 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000564543482 485152532 /nfs/dbraw/zinc/15/25/32/485152532.db2.gz SAWZMHUKIFPBCB-INIZCTEOSA-N 3 0 351.495 -0.589 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000564543483 485152304 /nfs/dbraw/zinc/15/23/04/485152304.db2.gz SAWZMHUKIFPBCB-MRXNPFEDSA-N 3 0 351.495 -0.589 20 0 FBADRP COC(=O)c1cc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cn1C ZINC000564702623 485155564 /nfs/dbraw/zinc/15/55/64/485155564.db2.gz XNYPCRHBCYECNQ-UHFFFAOYSA-N 2 0 367.450 -0.298 20 0 FBADRP CN1CCN(C(=O)C(=O)NCCC[N@H+](C)Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000564715542 483918438 /nfs/dbraw/zinc/91/84/38/483918438.db2.gz LMFKVZWVMJZHFX-KRWDZBQOSA-N 2 0 361.490 -0.274 20 0 FBADRP CN1CCN(C(=O)C(=O)NCCC[N@H+](C)Cc2ccccc2)[C@H](C[NH3+])C1 ZINC000564715546 483918865 /nfs/dbraw/zinc/91/88/65/483918865.db2.gz LMFKVZWVMJZHFX-QGZVFWFLSA-N 2 0 361.490 -0.274 20 0 FBADRP C[C@H]1C[NH+](CC2CCN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000564739122 485156921 /nfs/dbraw/zinc/15/69/21/485156921.db2.gz BLMVBZYBXZBJTD-DZKIICNBSA-N 2 0 352.479 -0.188 20 0 FBADRP CN(Cc1c[nH]cn1)C(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000564739135 483994657 /nfs/dbraw/zinc/99/46/57/483994657.db2.gz BXAXLBPHOFBOFX-UHFFFAOYSA-N 2 0 362.434 -0.865 20 0 FBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCNS(=O)(=O)c2cccs2)CC1 ZINC000564793796 485157303 /nfs/dbraw/zinc/15/73/03/485157303.db2.gz VVQHEHVADZQZEI-CYBMUJFWSA-N 2 0 362.521 -0.776 20 0 FBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCNS(=O)(=O)c2cccs2)CC1 ZINC000564793801 485157563 /nfs/dbraw/zinc/15/75/63/485157563.db2.gz VVQHEHVADZQZEI-ZDUSSCGKSA-N 2 0 362.521 -0.776 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000564825317 485157642 /nfs/dbraw/zinc/15/76/42/485157642.db2.gz YEPTTXJTFRXOKG-ARFHVFGLSA-N 3 0 353.511 -0.476 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000564825318 485157614 /nfs/dbraw/zinc/15/76/14/485157614.db2.gz YEPTTXJTFRXOKG-HRCADAONSA-N 3 0 353.511 -0.476 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000564825319 485157345 /nfs/dbraw/zinc/15/73/45/485157345.db2.gz YEPTTXJTFRXOKG-JYJNAYRXSA-N 3 0 353.511 -0.476 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000564825320 485158075 /nfs/dbraw/zinc/15/80/75/485158075.db2.gz YEPTTXJTFRXOKG-XHSDSOJGSA-N 3 0 353.511 -0.476 20 0 FBADRP CN1CCN(C(=O)C(=O)N2CC[NH+](CCC(C)(C)C)CC2)[C@@H](C[NH3+])C1 ZINC000564827267 485157627 /nfs/dbraw/zinc/15/76/27/485157627.db2.gz SWRBANPCTUUMIR-HNNXBMFYSA-N 2 0 353.511 -0.332 20 0 FBADRP CN1CCN(C(=O)C(=O)N2CC[NH+](CCC(C)(C)C)CC2)[C@H](C[NH3+])C1 ZINC000564827268 485157993 /nfs/dbraw/zinc/15/79/93/485157993.db2.gz SWRBANPCTUUMIR-OAHLLOKOSA-N 2 0 353.511 -0.332 20 0 FBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@]2(N3CCOCC3)CCSC2)CC1 ZINC000564848779 483685339 /nfs/dbraw/zinc/68/53/39/483685339.db2.gz YUNKSUDASNYNGB-DLBZAZTESA-N 2 0 358.552 -0.608 20 0 FBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@]2(N3CCOCC3)CCSC2)CC1 ZINC000564848780 483685113 /nfs/dbraw/zinc/68/51/13/483685113.db2.gz YUNKSUDASNYNGB-IAGOWNOFSA-N 2 0 358.552 -0.608 20 0 FBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@@]2(N3CCOCC3)CCSC2)CC1 ZINC000564848781 483685369 /nfs/dbraw/zinc/68/53/69/483685369.db2.gz YUNKSUDASNYNGB-IRXDYDNUSA-N 2 0 358.552 -0.608 20 0 FBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@@]2(N3CCOCC3)CCSC2)CC1 ZINC000564848782 483684807 /nfs/dbraw/zinc/68/48/07/483684807.db2.gz YUNKSUDASNYNGB-SJORKVTESA-N 2 0 358.552 -0.608 20 0 FBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCN2CCN(C(=O)C3CCC3)CC2)CC1 ZINC000564856499 485158332 /nfs/dbraw/zinc/15/83/32/485158332.db2.gz MCKKRBOTALZMDE-GOSISDBHSA-N 2 0 367.538 -0.871 20 0 FBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCN2CCN(C(=O)C3CCC3)CC2)CC1 ZINC000564856506 485159354 /nfs/dbraw/zinc/15/93/54/485159354.db2.gz MCKKRBOTALZMDE-SFHVURJKSA-N 2 0 367.538 -0.871 20 0 FBADRP CN(C)S(=O)(=O)c1cccc(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)c1 ZINC000564870418 485159228 /nfs/dbraw/zinc/15/92/28/485159228.db2.gz AGNXKDAFZNDSBJ-INIZCTEOSA-N 2 0 370.519 -0.365 20 0 FBADRP CN(C)S(=O)(=O)c1cccc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)c1 ZINC000564870420 485158400 /nfs/dbraw/zinc/15/84/00/485158400.db2.gz AGNXKDAFZNDSBJ-MRXNPFEDSA-N 2 0 370.519 -0.365 20 0 FBADRP COC(=O)C1CC[NH+](CCCNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000564918214 485159886 /nfs/dbraw/zinc/15/98/86/485159886.db2.gz OUUQKXHDWSPPDY-AWEZNQCLSA-N 2 0 354.451 -0.754 20 0 FBADRP COC(=O)C1CC[NH+](CCCNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000564918226 485160395 /nfs/dbraw/zinc/16/03/95/485160395.db2.gz OUUQKXHDWSPPDY-CQSZACIVSA-N 2 0 354.451 -0.754 20 0 FBADRP COC(=O)C[C@H]([NH3+])C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000564922172 485160344 /nfs/dbraw/zinc/16/03/44/485160344.db2.gz VIEPWXVLVNYPCJ-AWEZNQCLSA-N 2 0 364.450 -0.615 20 0 FBADRP C[C@@H](NC(=O)c1cn(CCC[NH3+])nn1)C(=O)NCC[NH+]1CCCCC1 ZINC000564936304 485161369 /nfs/dbraw/zinc/16/13/69/485161369.db2.gz CFPPBZQTKJZKIP-CYBMUJFWSA-N 2 0 351.455 -0.653 20 0 FBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000564949320 485161555 /nfs/dbraw/zinc/16/15/55/485161555.db2.gz FEOXAHBZACJHNW-NEPJUHHUSA-N 2 0 365.400 -0.803 20 0 FBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000564949323 485160945 /nfs/dbraw/zinc/16/09/45/485160945.db2.gz FEOXAHBZACJHNW-NWDGAFQWSA-N 2 0 365.400 -0.803 20 0 FBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000564949324 485161457 /nfs/dbraw/zinc/16/14/57/485161457.db2.gz FEOXAHBZACJHNW-RYUDHWBXSA-N 2 0 365.400 -0.803 20 0 FBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000564949325 485161258 /nfs/dbraw/zinc/16/12/58/485161258.db2.gz FEOXAHBZACJHNW-VXGBXAGGSA-N 2 0 365.400 -0.803 20 0 FBADRP CN(CC(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)S(C)(=O)=O ZINC000564950915 485160951 /nfs/dbraw/zinc/16/09/51/485160951.db2.gz FLLOIOUCROOTRP-UHFFFAOYSA-N 2 0 368.503 -0.013 20 0 FBADRP C[C@@H](CC(=O)N1CC(S(=O)(=O)N2CCNCC2)C1)C1CC[NH2+]CC1 ZINC000564951438 483850634 /nfs/dbraw/zinc/85/06/34/483850634.db2.gz MAKMTKQZFOKTTJ-ZDUSSCGKSA-N 2 0 358.508 -0.542 20 0 FBADRP O=C(NC1CCC(N2CC[NH2+]CC2)CC1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000564956091 485161017 /nfs/dbraw/zinc/16/10/17/485161017.db2.gz GRZNUFZQXJOGOS-HWOWSKLDSA-N 2 0 361.494 -0.024 20 0 FBADRP O=C(NC1CCC(N2CC[NH2+]CC2)CC1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000564956096 485161167 /nfs/dbraw/zinc/16/11/67/485161167.db2.gz GRZNUFZQXJOGOS-PCKAHOCUSA-N 2 0 361.494 -0.024 20 0 FBADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C1 ZINC000564974678 485162540 /nfs/dbraw/zinc/16/25/40/485162540.db2.gz FWSHZYMOUBCKRS-BBWFWOEESA-N 3 0 365.522 -0.236 20 0 FBADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C1 ZINC000564974679 485162462 /nfs/dbraw/zinc/16/24/62/485162462.db2.gz FWSHZYMOUBCKRS-BRWVUGGUSA-N 3 0 365.522 -0.236 20 0 FBADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C1 ZINC000564974680 485162230 /nfs/dbraw/zinc/16/22/30/485162230.db2.gz FWSHZYMOUBCKRS-GVDBMIGSSA-N 3 0 365.522 -0.236 20 0 FBADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C1 ZINC000564974681 485162172 /nfs/dbraw/zinc/16/21/72/485162172.db2.gz FWSHZYMOUBCKRS-ZACQAIPSSA-N 3 0 365.522 -0.236 20 0 FBADRP O=C(CC[NH+]1CCN(c2ccccc2)CC1)NCC(=O)N1CC[NH2+]CC1 ZINC000565033299 485164096 /nfs/dbraw/zinc/16/40/96/485164096.db2.gz CNJOHHXICSVTIB-UHFFFAOYSA-N 2 0 359.474 -0.253 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000565076782 485166195 /nfs/dbraw/zinc/16/61/95/485166195.db2.gz JSDVXDDQBHFLPM-INIZCTEOSA-N 2 0 353.511 -0.271 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000565076787 485166039 /nfs/dbraw/zinc/16/60/39/485166039.db2.gz JSDVXDDQBHFLPM-MRXNPFEDSA-N 2 0 353.511 -0.271 20 0 FBADRP O=C(CC(O)CC(=O)NCC[N@H+]1CC=CCC1)NCC[NH+]1CC=CCC1 ZINC000565202268 485170927 /nfs/dbraw/zinc/17/09/27/485170927.db2.gz YIEUQCCBHSQPCQ-UHFFFAOYSA-N 2 0 364.490 -0.116 20 0 FBADRP CSC1(CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC[NH+](C)CC1 ZINC000565250277 485173904 /nfs/dbraw/zinc/17/39/04/485173904.db2.gz KVQSBHSWKDALPT-CHWSQXEVSA-N 2 0 355.508 -0.233 20 0 FBADRP CSC1(CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC[NH+](C)CC1 ZINC000565250278 485174520 /nfs/dbraw/zinc/17/45/20/485174520.db2.gz KVQSBHSWKDALPT-OLZOCXBDSA-N 2 0 355.508 -0.233 20 0 FBADRP CSC1(CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC[NH+](C)CC1 ZINC000565250279 485174065 /nfs/dbraw/zinc/17/40/65/485174065.db2.gz KVQSBHSWKDALPT-QWHCGFSZSA-N 2 0 355.508 -0.233 20 0 FBADRP CSC1(CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC[NH+](C)CC1 ZINC000565250280 485174723 /nfs/dbraw/zinc/17/47/23/485174723.db2.gz KVQSBHSWKDALPT-STQMWFEESA-N 2 0 355.508 -0.233 20 0 FBADRP CC(C)OCC[NH+]1CCC(NC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC1 ZINC000565255821 485175816 /nfs/dbraw/zinc/17/58/16/485175816.db2.gz VFZBCVMGJRVFTC-CVEARBPZSA-N 2 0 367.494 -0.171 20 0 FBADRP CC(C)OCC[NH+]1CCC(NC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC1 ZINC000565255824 485175051 /nfs/dbraw/zinc/17/50/51/485175051.db2.gz VFZBCVMGJRVFTC-HOTGVXAUSA-N 2 0 367.494 -0.171 20 0 FBADRP CC(C)OCC[NH+]1CCC(NC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC1 ZINC000565255826 485175394 /nfs/dbraw/zinc/17/53/94/485175394.db2.gz VFZBCVMGJRVFTC-HZPDHXFCSA-N 2 0 367.494 -0.171 20 0 FBADRP CC(C)OCC[NH+]1CCC(NC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC1 ZINC000565255828 485175682 /nfs/dbraw/zinc/17/56/82/485175682.db2.gz VFZBCVMGJRVFTC-JKSUJKDBSA-N 2 0 367.494 -0.171 20 0 FBADRP C[NH+]1CCN(C[C@@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C2)c2ccccc2)CC1 ZINC000565256055 485175121 /nfs/dbraw/zinc/17/51/21/485175121.db2.gz ZAVVJXTZSPAKGJ-DLBZAZTESA-N 2 0 359.474 -0.431 20 0 FBADRP C[NH+]1CCN(C[C@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C2)c2ccccc2)CC1 ZINC000565256056 485175753 /nfs/dbraw/zinc/17/57/53/485175753.db2.gz ZAVVJXTZSPAKGJ-IRXDYDNUSA-N 2 0 359.474 -0.431 20 0 FBADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000565293950 485176679 /nfs/dbraw/zinc/17/66/79/485176679.db2.gz FHVGZXQIOSYOSF-INIZCTEOSA-N 2 0 366.510 -0.770 20 0 FBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000565293951 485177138 /nfs/dbraw/zinc/17/71/38/485177138.db2.gz FHVGZXQIOSYOSF-MRXNPFEDSA-N 2 0 366.510 -0.770 20 0 FBADRP O=C(CCOC1C[NH2+]C1)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000565301342 485176573 /nfs/dbraw/zinc/17/65/73/485176573.db2.gz UCPUAIWMHOTFTL-UHFFFAOYSA-N 2 0 362.478 -0.127 20 0 FBADRP CN1CC[NH+](CCCCNC(=O)C(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000565321659 485178537 /nfs/dbraw/zinc/17/85/37/485178537.db2.gz ZTHIKWMTPWRRIY-UHFFFAOYSA-N 2 0 353.511 -0.269 20 0 FBADRP C[NH+]1CCN(c2ccc(CNC(=O)c3cn(CCC[NH3+])nn3)cn2)CC1 ZINC000565361677 485179002 /nfs/dbraw/zinc/17/90/02/485179002.db2.gz XPHSKVRVQHQWCH-UHFFFAOYSA-N 2 0 358.450 -0.296 20 0 FBADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])CC1 ZINC000565470904 485182829 /nfs/dbraw/zinc/18/28/29/485182829.db2.gz CVYRHUPMVOHYAM-AWEZNQCLSA-N 2 0 369.510 -0.907 20 0 FBADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])CC1 ZINC000565470905 485183164 /nfs/dbraw/zinc/18/31/64/485183164.db2.gz CVYRHUPMVOHYAM-CQSZACIVSA-N 2 0 369.510 -0.907 20 0 FBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@H](N2CCOCC2)C(F)(F)F)CC1 ZINC000565478962 483598389 /nfs/dbraw/zinc/59/83/89/483598389.db2.gz ZOLKENZZSPORIV-KBPBESRZSA-N 2 0 354.417 -0.553 20 0 FBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@H](N2CCOCC2)C(F)(F)F)CC1 ZINC000565478963 483598404 /nfs/dbraw/zinc/59/84/04/483598404.db2.gz ZOLKENZZSPORIV-KGLIPLIRSA-N 2 0 354.417 -0.553 20 0 FBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)CC1 ZINC000565478964 483597702 /nfs/dbraw/zinc/59/77/02/483597702.db2.gz ZOLKENZZSPORIV-UONOGXRCSA-N 2 0 354.417 -0.553 20 0 FBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)CC1 ZINC000565478965 483598280 /nfs/dbraw/zinc/59/82/80/483598280.db2.gz ZOLKENZZSPORIV-ZIAGYGMSSA-N 2 0 354.417 -0.553 20 0 FBADRP Cc1nc2ccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cn2n1 ZINC000565570016 485186496 /nfs/dbraw/zinc/18/64/96/485186496.db2.gz RZRDHWVPIYKMMO-UHFFFAOYSA-N 2 0 361.450 -0.072 20 0 FBADRP O=C(CNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1)N1CC[NH2+]CC1 ZINC000565589304 485187880 /nfs/dbraw/zinc/18/78/80/485187880.db2.gz PWZXFIQBQYJFAE-HNNXBMFYSA-N 2 0 365.478 -0.989 20 0 FBADRP O=C(CNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)N1CC[NH2+]CC1 ZINC000565589305 485187548 /nfs/dbraw/zinc/18/75/48/485187548.db2.gz PWZXFIQBQYJFAE-OAHLLOKOSA-N 2 0 365.478 -0.989 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000565589495 485187579 /nfs/dbraw/zinc/18/75/79/485187579.db2.gz KWRALAIKGMSQCI-HNNXBMFYSA-N 3 0 355.527 -0.167 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000565589496 485187748 /nfs/dbraw/zinc/18/77/48/485187748.db2.gz KWRALAIKGMSQCI-OAHLLOKOSA-N 3 0 355.527 -0.167 20 0 FBADRP COC(=O)C[C@H]([NH3+])C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000565595151 485187016 /nfs/dbraw/zinc/18/70/16/485187016.db2.gz AYVYKXKDKKRPQT-ZDUSSCGKSA-N 2 0 356.467 -0.380 20 0 FBADRP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000565597994 485187525 /nfs/dbraw/zinc/18/75/25/485187525.db2.gz WMAOKGJRMWHKID-BFYDXBDKSA-N 2 0 352.479 -0.010 20 0 FBADRP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000565598003 485187657 /nfs/dbraw/zinc/18/76/57/485187657.db2.gz WMAOKGJRMWHKID-HLLBOEOZSA-N 2 0 352.479 -0.010 20 0 FBADRP [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000565598005 485187703 /nfs/dbraw/zinc/18/77/03/485187703.db2.gz WMAOKGJRMWHKID-INMHGKMJSA-N 2 0 352.479 -0.010 20 0 FBADRP [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000565598007 485187463 /nfs/dbraw/zinc/18/74/63/485187463.db2.gz WMAOKGJRMWHKID-VYDXJSESSA-N 2 0 352.479 -0.010 20 0 FBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000565604683 485187716 /nfs/dbraw/zinc/18/77/16/485187716.db2.gz UWPPXIHJERWHIR-UHFFFAOYSA-N 2 0 353.511 -0.317 20 0 FBADRP CN1CCN(C(=O)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@H](C[NH3+])C1 ZINC000565647713 485188387 /nfs/dbraw/zinc/18/83/87/485188387.db2.gz CBSJRBZQPLLHJC-GOSISDBHSA-N 2 0 373.501 0.000 20 0 FBADRP CN1CCN(C(=O)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@@H](C[NH3+])C1 ZINC000565647714 485188833 /nfs/dbraw/zinc/18/88/33/485188833.db2.gz CBSJRBZQPLLHJC-SFHVURJKSA-N 2 0 373.501 0.000 20 0 FBADRP Cc1ccc(S(=O)(=O)NCC[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000565652480 485189707 /nfs/dbraw/zinc/18/97/07/485189707.db2.gz QLYGSSQPOMHSCZ-INIZCTEOSA-N 2 0 370.519 -0.529 20 0 FBADRP Cc1ccc(S(=O)(=O)NCC[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000565652481 485189442 /nfs/dbraw/zinc/18/94/42/485189442.db2.gz QLYGSSQPOMHSCZ-MRXNPFEDSA-N 2 0 370.519 -0.529 20 0 FBADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000565712890 485191127 /nfs/dbraw/zinc/19/11/27/485191127.db2.gz VMTLKDZDNIHPIN-CABCVRRESA-N 2 0 360.458 -0.131 20 0 FBADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000565712891 485190864 /nfs/dbraw/zinc/19/08/64/485190864.db2.gz VMTLKDZDNIHPIN-GJZGRUSLSA-N 2 0 360.458 -0.131 20 0 FBADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000565712893 485190849 /nfs/dbraw/zinc/19/08/49/485190849.db2.gz VMTLKDZDNIHPIN-HUUCEWRRSA-N 2 0 360.458 -0.131 20 0 FBADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000565712895 485191276 /nfs/dbraw/zinc/19/12/76/485191276.db2.gz VMTLKDZDNIHPIN-LSDHHAIUSA-N 2 0 360.458 -0.131 20 0 FBADRP COCC[N@H+](C)C[C@H](O)CN1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000565843039 485195395 /nfs/dbraw/zinc/19/53/95/485195395.db2.gz WYKXYTWFDBIDJF-AEFFLSMTSA-N 2 0 370.538 -0.010 20 0 FBADRP COCC[N@H+](C)C[C@@H](O)CN1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000565843041 485195558 /nfs/dbraw/zinc/19/55/58/485195558.db2.gz WYKXYTWFDBIDJF-FUHWJXTLSA-N 2 0 370.538 -0.010 20 0 FBADRP COCC[N@H+](C)C[C@@H](O)CN1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000565843042 485195280 /nfs/dbraw/zinc/19/52/80/485195280.db2.gz WYKXYTWFDBIDJF-SJLPKXTDSA-N 2 0 370.538 -0.010 20 0 FBADRP COCC[N@H+](C)C[C@H](O)CN1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000565843043 485195065 /nfs/dbraw/zinc/19/50/65/485195065.db2.gz WYKXYTWFDBIDJF-WMZOPIPTSA-N 2 0 370.538 -0.010 20 0 FBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1 ZINC000565893140 485197599 /nfs/dbraw/zinc/19/75/99/485197599.db2.gz SCAKOFBUBAQMQP-DZKIICNBSA-N 2 0 368.457 -0.452 20 0 FBADRP Cc1ccc(S(=O)(=O)NCCN2CC[NH+](CCOCC[NH3+])CC2)cc1 ZINC000565894170 485197467 /nfs/dbraw/zinc/19/74/67/485197467.db2.gz FJWDLKDFEPCKDE-UHFFFAOYSA-N 2 0 370.519 -0.134 20 0 FBADRP C[NH+](C)CCOc1ccc(CNC(=O)NCC(=O)N2CC[NH2+]CC2)cc1 ZINC000565999203 485200639 /nfs/dbraw/zinc/20/06/39/485200639.db2.gz UNVLPEBVJZAJHQ-UHFFFAOYSA-N 2 0 363.462 -0.142 20 0 FBADRP C[C@@H]1C[N@H+](CCCNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CCCO1 ZINC000566021335 485201726 /nfs/dbraw/zinc/20/17/26/485201726.db2.gz UZHXCEDQRVTKLG-ILXRZTDVSA-N 2 0 353.467 -0.559 20 0 FBADRP C[C@@H]1C[N@H+](CCCNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CCCO1 ZINC000566021336 485202050 /nfs/dbraw/zinc/20/20/50/485202050.db2.gz UZHXCEDQRVTKLG-KFWWJZLASA-N 2 0 353.467 -0.559 20 0 FBADRP C[C@@H]1C[N@H+](CCCNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CCCO1 ZINC000566021337 485201852 /nfs/dbraw/zinc/20/18/52/485201852.db2.gz UZHXCEDQRVTKLG-QLFBSQMISA-N 2 0 353.467 -0.559 20 0 FBADRP C[C@@H]1C[N@H+](CCCNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CCCO1 ZINC000566021338 485201469 /nfs/dbraw/zinc/20/14/69/485201469.db2.gz UZHXCEDQRVTKLG-RBSFLKMASA-N 2 0 353.467 -0.559 20 0 FBADRP CC(C)[C@H](CNC(=O)C(=O)N[C@H](C)CC[NH+](C)C)N1CC[NH+](C)CC1 ZINC000566023494 485201640 /nfs/dbraw/zinc/20/16/40/485201640.db2.gz FTOUUGDDZKDEFX-CVEARBPZSA-N 2 0 355.527 -0.169 20 0 FBADRP CC(C)[C@H](CNC(=O)C(=O)N[C@@H](C)CC[NH+](C)C)N1CC[NH+](C)CC1 ZINC000566023495 485201610 /nfs/dbraw/zinc/20/16/10/485201610.db2.gz FTOUUGDDZKDEFX-HOTGVXAUSA-N 2 0 355.527 -0.169 20 0 FBADRP CC(C)[C@@H](CNC(=O)C(=O)N[C@H](C)CC[NH+](C)C)N1CC[NH+](C)CC1 ZINC000566023496 485202208 /nfs/dbraw/zinc/20/22/08/485202208.db2.gz FTOUUGDDZKDEFX-HZPDHXFCSA-N 2 0 355.527 -0.169 20 0 FBADRP CC(C)[C@@H](CNC(=O)C(=O)N[C@@H](C)CC[NH+](C)C)N1CC[NH+](C)CC1 ZINC000566023497 485201804 /nfs/dbraw/zinc/20/18/04/485201804.db2.gz FTOUUGDDZKDEFX-JKSUJKDBSA-N 2 0 355.527 -0.169 20 0 FBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)n1 ZINC000566048765 484098524 /nfs/dbraw/zinc/09/85/24/484098524.db2.gz NDZHZACFZLOWIV-UHFFFAOYSA-N 2 0 362.478 0.374 20 0 FBADRP Cc1cnn([C@H]2CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C2)c1 ZINC000566054832 485202773 /nfs/dbraw/zinc/20/27/73/485202773.db2.gz KPLVBZWBFYHZMI-INIZCTEOSA-N 2 0 364.494 -0.083 20 0 FBADRP Cc1cnn([C@@H]2CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C2)c1 ZINC000566054833 485202865 /nfs/dbraw/zinc/20/28/65/485202865.db2.gz KPLVBZWBFYHZMI-MRXNPFEDSA-N 2 0 364.494 -0.083 20 0 FBADRP C[NH+]1CCN(c2ncccc2CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000566065720 485203574 /nfs/dbraw/zinc/20/35/74/485203574.db2.gz GBTMUHPCADSFMQ-HNNXBMFYSA-N 2 0 360.462 -0.682 20 0 FBADRP C[NH+]1CCN(c2ncccc2CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000566065721 485202848 /nfs/dbraw/zinc/20/28/48/485202848.db2.gz GBTMUHPCADSFMQ-OAHLLOKOSA-N 2 0 360.462 -0.682 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000566090457 485203512 /nfs/dbraw/zinc/20/35/12/485203512.db2.gz XWQVOULCIWICNL-GOSISDBHSA-N 3 0 353.511 -0.460 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000566090458 485203230 /nfs/dbraw/zinc/20/32/30/485203230.db2.gz XWQVOULCIWICNL-SFHVURJKSA-N 3 0 353.511 -0.460 20 0 FBADRP CC[NH+]1CCC(CNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CC1 ZINC000566105466 485204265 /nfs/dbraw/zinc/20/42/65/485204265.db2.gz RBDFRDMYAGCPGG-JKSUJKDBSA-N 2 0 362.478 -0.479 20 0 FBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCOc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000566108037 485204382 /nfs/dbraw/zinc/20/43/82/485204382.db2.gz UBRNHOCWYMHGTO-HNNXBMFYSA-N 2 0 371.503 -0.333 20 0 FBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCOc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000566108040 485204575 /nfs/dbraw/zinc/20/45/75/485204575.db2.gz UBRNHOCWYMHGTO-OAHLLOKOSA-N 2 0 371.503 -0.333 20 0 FBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)C1 ZINC000566156974 485205681 /nfs/dbraw/zinc/20/56/81/485205681.db2.gz AWORTLUTCGFVOA-KBPBESRZSA-N 2 0 363.466 -0.653 20 0 FBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)C1 ZINC000566156978 485205340 /nfs/dbraw/zinc/20/53/40/485205340.db2.gz AWORTLUTCGFVOA-KGLIPLIRSA-N 2 0 363.466 -0.653 20 0 FBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)C1 ZINC000566156979 485205569 /nfs/dbraw/zinc/20/55/69/485205569.db2.gz AWORTLUTCGFVOA-UONOGXRCSA-N 2 0 363.466 -0.653 20 0 FBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)C1 ZINC000566156981 485205702 /nfs/dbraw/zinc/20/57/02/485205702.db2.gz AWORTLUTCGFVOA-ZIAGYGMSSA-N 2 0 363.466 -0.653 20 0 FBADRP C[NH+]1CCN(c2cc(CNC(=O)CNC(=O)[C@@H]3CCC[NH2+]3)ccn2)CC1 ZINC000566167684 485205622 /nfs/dbraw/zinc/20/56/22/485205622.db2.gz HJISBQMCJARGHX-HNNXBMFYSA-N 2 0 360.462 -0.682 20 0 FBADRP C[NH+]1CCN(c2cc(CNC(=O)CNC(=O)[C@H]3CCC[NH2+]3)ccn2)CC1 ZINC000566167685 485205048 /nfs/dbraw/zinc/20/50/48/485205048.db2.gz HJISBQMCJARGHX-OAHLLOKOSA-N 2 0 360.462 -0.682 20 0 FBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000566168045 485205526 /nfs/dbraw/zinc/20/55/26/485205526.db2.gz OLZKZNPPGZANSX-INIZCTEOSA-N 2 0 352.479 -0.185 20 0 FBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000566168055 485205212 /nfs/dbraw/zinc/20/52/12/485205212.db2.gz OLZKZNPPGZANSX-MRXNPFEDSA-N 2 0 352.479 -0.185 20 0 FBADRP C[NH+]1CCN(Cc2ccc(CNC(=O)CNC(=O)[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000566168853 485205815 /nfs/dbraw/zinc/20/58/15/485205815.db2.gz RADPORRTCUTVOE-GOSISDBHSA-N 2 0 373.501 -0.082 20 0 FBADRP C[NH+]1CCN(Cc2ccc(CNC(=O)CNC(=O)[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000566168854 485205182 /nfs/dbraw/zinc/20/51/82/485205182.db2.gz RADPORRTCUTVOE-SFHVURJKSA-N 2 0 373.501 -0.082 20 0 FBADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000566178763 485206249 /nfs/dbraw/zinc/20/62/49/485206249.db2.gz BBYJNKDBWVOROL-DLBZAZTESA-N 2 0 365.522 -0.127 20 0 FBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000566178766 485206597 /nfs/dbraw/zinc/20/65/97/485206597.db2.gz BBYJNKDBWVOROL-IAGOWNOFSA-N 2 0 365.522 -0.127 20 0 FBADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000566178767 485206343 /nfs/dbraw/zinc/20/63/43/485206343.db2.gz BBYJNKDBWVOROL-IRXDYDNUSA-N 2 0 365.522 -0.127 20 0 FBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000566178768 485206158 /nfs/dbraw/zinc/20/61/58/485206158.db2.gz BBYJNKDBWVOROL-SJORKVTESA-N 2 0 365.522 -0.127 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000566178899 485206923 /nfs/dbraw/zinc/20/69/23/485206923.db2.gz INEQKKAUZDUJSX-HNNXBMFYSA-N 2 0 367.494 -0.743 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000566178900 485206430 /nfs/dbraw/zinc/20/64/30/485206430.db2.gz INEQKKAUZDUJSX-OAHLLOKOSA-N 2 0 367.494 -0.743 20 0 FBADRP CC(C)[C@H](CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)[NH+]1CCN(C)CC1 ZINC000566181295 485206825 /nfs/dbraw/zinc/20/68/25/485206825.db2.gz RIEXRQIUNVIWAZ-CVEARBPZSA-N 2 0 353.511 -0.367 20 0 FBADRP CC(C)[C@H](CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)[NH+]1CCN(C)CC1 ZINC000566181296 485206692 /nfs/dbraw/zinc/20/66/92/485206692.db2.gz RIEXRQIUNVIWAZ-HOTGVXAUSA-N 2 0 353.511 -0.367 20 0 FBADRP CC(C)[C@@H](CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)[NH+]1CCN(C)CC1 ZINC000566181297 485206884 /nfs/dbraw/zinc/20/68/84/485206884.db2.gz RIEXRQIUNVIWAZ-HZPDHXFCSA-N 2 0 353.511 -0.367 20 0 FBADRP CC(C)[C@@H](CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)[NH+]1CCN(C)CC1 ZINC000566181298 485206637 /nfs/dbraw/zinc/20/66/37/485206637.db2.gz RIEXRQIUNVIWAZ-JKSUJKDBSA-N 2 0 353.511 -0.367 20 0 FBADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000566203659 485207781 /nfs/dbraw/zinc/20/77/81/485207781.db2.gz YIFOBIWDQBBOQC-FLTUCWPJSA-N 2 0 352.479 -0.168 20 0 FBADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000566203660 485207530 /nfs/dbraw/zinc/20/75/30/485207530.db2.gz YIFOBIWDQBBOQC-KYZVSKTDSA-N 2 0 352.479 -0.168 20 0 FBADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000566203661 485207697 /nfs/dbraw/zinc/20/76/97/485207697.db2.gz YIFOBIWDQBBOQC-NPSOMJIGSA-N 2 0 352.479 -0.168 20 0 FBADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000566203662 485207772 /nfs/dbraw/zinc/20/77/72/485207772.db2.gz YIFOBIWDQBBOQC-UYAYXHRUSA-N 2 0 352.479 -0.168 20 0 FBADRP [NH3+]CCCCn1cc(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)nn1 ZINC000566205612 485208014 /nfs/dbraw/zinc/20/80/14/485208014.db2.gz HBANTMTWSNVRBY-GFCCVEGCSA-N 2 0 363.388 -0.417 20 0 FBADRP [NH3+]CCCCn1cc(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)nn1 ZINC000566205614 485207539 /nfs/dbraw/zinc/20/75/39/485207539.db2.gz HBANTMTWSNVRBY-LBPRGKRZSA-N 2 0 363.388 -0.417 20 0 FBADRP [NH3+]C1(CNC(=O)CN2CC(=O)NC2=O)CC[NH+](Cc2ccccc2)CC1 ZINC000566207499 485208145 /nfs/dbraw/zinc/20/81/45/485208145.db2.gz GDLGKMJOEDOTNL-UHFFFAOYSA-N 2 0 359.430 -0.352 20 0 FBADRP O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000566212513 485208854 /nfs/dbraw/zinc/20/88/54/485208854.db2.gz WJYIOSONRZWGEE-OWCLPIDISA-N 2 0 350.463 -0.623 20 0 FBADRP O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000566212514 485208603 /nfs/dbraw/zinc/20/86/03/485208603.db2.gz WJYIOSONRZWGEE-XHSDSOJGSA-N 2 0 350.463 -0.623 20 0 FBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000566237055 485209822 /nfs/dbraw/zinc/20/98/22/485209822.db2.gz JQRJGRXEZIBDAW-KBPBESRZSA-N 2 0 362.478 -0.308 20 0 FBADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000566237056 485210107 /nfs/dbraw/zinc/21/01/07/485210107.db2.gz JQRJGRXEZIBDAW-KGLIPLIRSA-N 2 0 362.478 -0.308 20 0 FBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000566237057 485209633 /nfs/dbraw/zinc/20/96/33/485209633.db2.gz JQRJGRXEZIBDAW-UONOGXRCSA-N 2 0 362.478 -0.308 20 0 FBADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000566237058 485209815 /nfs/dbraw/zinc/20/98/15/485209815.db2.gz JQRJGRXEZIBDAW-ZIAGYGMSSA-N 2 0 362.478 -0.308 20 0 FBADRP C[C@@H]1CN(C(=O)C[C@]2(C(=O)N3C[C@H](C)[NH2+][C@@H](C)C3)CC[NH2+]C2)C[C@@H](C)[NH2+]1 ZINC000566247108 485209780 /nfs/dbraw/zinc/20/97/80/485209780.db2.gz XARVAYOMEFDUGE-MZZPOWALSA-N 3 0 365.522 -0.226 20 0 FBADRP C[C@@H]1CN(C(=O)C[C@]2(C(=O)N3C[C@H](C)[NH2+][C@@H](C)C3)CC[NH2+]C2)C[C@H](C)[NH2+]1 ZINC000566247109 485210086 /nfs/dbraw/zinc/21/00/86/485210086.db2.gz XARVAYOMEFDUGE-ZHEXZJMTSA-N 3 0 365.522 -0.226 20 0 FBADRP CC[NH+](CC)CCN(C(=O)C[C@@H]1COCC[NH2+]1)[C@H]1CCS(=O)(=O)C1 ZINC000566251114 485210576 /nfs/dbraw/zinc/21/05/76/485210576.db2.gz MLOVFISBQRQUSY-CABCVRRESA-N 2 0 361.508 -0.278 20 0 FBADRP CC[NH+](CC)CCN(C(=O)C[C@H]1COCC[NH2+]1)[C@H]1CCS(=O)(=O)C1 ZINC000566251115 485210835 /nfs/dbraw/zinc/21/08/35/485210835.db2.gz MLOVFISBQRQUSY-GJZGRUSLSA-N 2 0 361.508 -0.278 20 0 FBADRP CC[NH+](CC)CCN(C(=O)C[C@@H]1COCC[NH2+]1)[C@@H]1CCS(=O)(=O)C1 ZINC000566251165 485210533 /nfs/dbraw/zinc/21/05/33/485210533.db2.gz MLOVFISBQRQUSY-HUUCEWRRSA-N 2 0 361.508 -0.278 20 0 FBADRP CC[NH+](CC)CCN(C(=O)C[C@H]1COCC[NH2+]1)[C@@H]1CCS(=O)(=O)C1 ZINC000566251167 485211057 /nfs/dbraw/zinc/21/10/57/485211057.db2.gz MLOVFISBQRQUSY-LSDHHAIUSA-N 2 0 361.508 -0.278 20 0 FBADRP [NH3+]CC1(O)CCN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000566300822 485212449 /nfs/dbraw/zinc/21/24/49/485212449.db2.gz OXZURXRHBVAODM-UHFFFAOYSA-N 2 0 368.522 -0.077 20 0 FBADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CCC(CC[NH3+])CC2)CC1 ZINC000566379972 485215365 /nfs/dbraw/zinc/21/53/65/485215365.db2.gz YCSSPWKCAABUSI-UHFFFAOYSA-N 2 0 353.511 -0.284 20 0 FBADRP C[NH+]1CCC(NC(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)CC1 ZINC000566391670 485215057 /nfs/dbraw/zinc/21/50/57/485215057.db2.gz MLMFGPJRVIFALK-UHFFFAOYSA-N 2 0 374.489 -0.340 20 0 FBADRP C[NH+](C)CCn1ccc(C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC000566441034 485218286 /nfs/dbraw/zinc/21/82/86/485218286.db2.gz ZETIQYBBDYBZRW-INIZCTEOSA-N 2 0 362.478 -0.177 20 0 FBADRP C[NH+](C)CCn1ccc(C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC000566441035 485218076 /nfs/dbraw/zinc/21/80/76/485218076.db2.gz ZETIQYBBDYBZRW-MRXNPFEDSA-N 2 0 362.478 -0.177 20 0 FBADRP CN1CC[C@H]([NH+]2CCC(NC(=O)c3ccn(CC[NH+](C)C)n3)CC2)C1=O ZINC000566453789 485217612 /nfs/dbraw/zinc/21/76/12/485217612.db2.gz LLZZLYXETHBRLW-INIZCTEOSA-N 2 0 362.478 -0.130 20 0 FBADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)c3ccn(CC[NH+](C)C)n3)CC2)C1=O ZINC000566453790 485217629 /nfs/dbraw/zinc/21/76/29/485217629.db2.gz LLZZLYXETHBRLW-MRXNPFEDSA-N 2 0 362.478 -0.130 20 0 FBADRP Cc1cc(NC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)ccc1C[NH+](C)C ZINC000566504212 485221545 /nfs/dbraw/zinc/22/15/45/485221545.db2.gz AFYCVSVFXZCLNY-CVEARBPZSA-N 2 0 373.457 -0.234 20 0 FBADRP Cc1cc(NC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)ccc1C[NH+](C)C ZINC000566504214 485221510 /nfs/dbraw/zinc/22/15/10/485221510.db2.gz AFYCVSVFXZCLNY-HOTGVXAUSA-N 2 0 373.457 -0.234 20 0 FBADRP Cc1cc(NC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)ccc1C[NH+](C)C ZINC000566504216 485221679 /nfs/dbraw/zinc/22/16/79/485221679.db2.gz AFYCVSVFXZCLNY-HZPDHXFCSA-N 2 0 373.457 -0.234 20 0 FBADRP Cc1cc(NC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)ccc1C[NH+](C)C ZINC000566504217 485221853 /nfs/dbraw/zinc/22/18/53/485221853.db2.gz AFYCVSVFXZCLNY-JKSUJKDBSA-N 2 0 373.457 -0.234 20 0 FBADRP C[N@H+](CCNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)Cc1ccccc1 ZINC000566510978 485221699 /nfs/dbraw/zinc/22/16/99/485221699.db2.gz FYMOHAKWQWTKFF-CVEARBPZSA-N 2 0 373.457 -0.995 20 0 FBADRP C[N@H+](CCNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)Cc1ccccc1 ZINC000566510979 485220909 /nfs/dbraw/zinc/22/09/09/485220909.db2.gz FYMOHAKWQWTKFF-HOTGVXAUSA-N 2 0 373.457 -0.995 20 0 FBADRP C[N@H+](CCNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)Cc1ccccc1 ZINC000566510980 485220789 /nfs/dbraw/zinc/22/07/89/485220789.db2.gz FYMOHAKWQWTKFF-HZPDHXFCSA-N 2 0 373.457 -0.995 20 0 FBADRP C[N@H+](CCNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)Cc1ccccc1 ZINC000566510981 485221647 /nfs/dbraw/zinc/22/16/47/485221647.db2.gz FYMOHAKWQWTKFF-JKSUJKDBSA-N 2 0 373.457 -0.995 20 0 FBADRP CCC[NH+](CCC)CCCNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000566511290 485222493 /nfs/dbraw/zinc/22/24/93/485222493.db2.gz OHGSVZFGNCIFAD-CABCVRRESA-N 2 0 367.494 -0.615 20 0 FBADRP CCC[NH+](CCC)CCCNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000566511291 485222371 /nfs/dbraw/zinc/22/23/71/485222371.db2.gz OHGSVZFGNCIFAD-GJZGRUSLSA-N 2 0 367.494 -0.615 20 0 FBADRP CCC[NH+](CCC)CCCNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000566511292 485222941 /nfs/dbraw/zinc/22/29/41/485222941.db2.gz OHGSVZFGNCIFAD-HUUCEWRRSA-N 2 0 367.494 -0.615 20 0 FBADRP CCC[NH+](CCC)CCCNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000566511293 485223017 /nfs/dbraw/zinc/22/30/17/485223017.db2.gz OHGSVZFGNCIFAD-LSDHHAIUSA-N 2 0 367.494 -0.615 20 0 FBADRP CN(CCC[NH3+])C(=O)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000566511438 485222842 /nfs/dbraw/zinc/22/28/42/485222842.db2.gz SAJLRDBGSHEPNG-UHFFFAOYSA-N 2 0 369.510 -0.464 20 0 FBADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)NCC[N@@H+]3CCc4ccccc4C3)CCN2C1=O ZINC000566512367 485222961 /nfs/dbraw/zinc/22/29/61/485222961.db2.gz DYYCPTJIDAMERZ-DLBZAZTESA-N 2 0 357.458 -0.002 20 0 FBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NCC[N@@H+]3CCc4ccccc4C3)CCN2C1=O ZINC000566512369 485222806 /nfs/dbraw/zinc/22/28/06/485222806.db2.gz DYYCPTJIDAMERZ-IAGOWNOFSA-N 2 0 357.458 -0.002 20 0 FBADRP [NH3+][C@H]1C[C@H]2CN(C(=O)NCC[N@@H+]3CCc4ccccc4C3)CCN2C1=O ZINC000566512373 485222581 /nfs/dbraw/zinc/22/25/81/485222581.db2.gz DYYCPTJIDAMERZ-IRXDYDNUSA-N 2 0 357.458 -0.002 20 0 FBADRP [NH3+][C@H]1C[C@@H]2CN(C(=O)NCC[N@@H+]3CCc4ccccc4C3)CCN2C1=O ZINC000566512374 485222653 /nfs/dbraw/zinc/22/26/53/485222653.db2.gz DYYCPTJIDAMERZ-SJORKVTESA-N 2 0 357.458 -0.002 20 0 FBADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)NC3CC[NH+](Cc4ccccn4)CC3)CCN2C1=O ZINC000566513238 485223093 /nfs/dbraw/zinc/22/30/93/485223093.db2.gz ORLXEWVNZODWGD-DLBZAZTESA-N 2 0 372.473 -0.001 20 0 FBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NC3CC[NH+](Cc4ccccn4)CC3)CCN2C1=O ZINC000566513239 485222300 /nfs/dbraw/zinc/22/23/00/485222300.db2.gz ORLXEWVNZODWGD-IAGOWNOFSA-N 2 0 372.473 -0.001 20 0 FBADRP [NH3+][C@H]1C[C@H]2CN(C(=O)NC3CC[NH+](Cc4ccccn4)CC3)CCN2C1=O ZINC000566513240 485222424 /nfs/dbraw/zinc/22/24/24/485222424.db2.gz ORLXEWVNZODWGD-IRXDYDNUSA-N 2 0 372.473 -0.001 20 0 FBADRP [NH3+][C@H]1C[C@@H]2CN(C(=O)NC3CC[NH+](Cc4ccccn4)CC3)CCN2C1=O ZINC000566513242 485222706 /nfs/dbraw/zinc/22/27/06/485222706.db2.gz ORLXEWVNZODWGD-SJORKVTESA-N 2 0 372.473 -0.001 20 0 FBADRP CN(C(=O)C1([NH3+])CCC1)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000566620925 485226386 /nfs/dbraw/zinc/22/63/86/485226386.db2.gz IPQINJDUASXQEG-UHFFFAOYSA-N 3 0 351.495 -0.435 20 0 FBADRP Cn1ccnc1CN1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000566635192 485226226 /nfs/dbraw/zinc/22/62/26/485226226.db2.gz PULJKSAMFKIEDS-HNNXBMFYSA-N 2 0 374.489 -0.335 20 0 FBADRP Cn1ccnc1CN1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000566635194 485226206 /nfs/dbraw/zinc/22/62/06/485226206.db2.gz PULJKSAMFKIEDS-OAHLLOKOSA-N 2 0 374.489 -0.335 20 0 FBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000566676772 485227114 /nfs/dbraw/zinc/22/71/14/485227114.db2.gz DTIUXVPUUMDSMP-INIZCTEOSA-N 2 0 352.479 -0.185 20 0 FBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000566676773 485227033 /nfs/dbraw/zinc/22/70/33/485227033.db2.gz DTIUXVPUUMDSMP-MRXNPFEDSA-N 2 0 352.479 -0.185 20 0 FBADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000566679416 485227508 /nfs/dbraw/zinc/22/75/08/485227508.db2.gz VBZFFPMTZJABBY-CABCVRRESA-N 2 0 353.511 -0.286 20 0 FBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000566679419 485227813 /nfs/dbraw/zinc/22/78/13/485227813.db2.gz VBZFFPMTZJABBY-GJZGRUSLSA-N 2 0 353.511 -0.286 20 0 FBADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000566679420 485226990 /nfs/dbraw/zinc/22/69/90/485226990.db2.gz VBZFFPMTZJABBY-HUUCEWRRSA-N 2 0 353.511 -0.286 20 0 FBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000566679422 485227022 /nfs/dbraw/zinc/22/70/22/485227022.db2.gz VBZFFPMTZJABBY-LSDHHAIUSA-N 2 0 353.511 -0.286 20 0 FBADRP O=C(CNC(=O)C(=O)N1CCC[N@@H+](C2CCCC2)CC1)N1CC[NH2+]CC1 ZINC000566728578 485228896 /nfs/dbraw/zinc/22/88/96/485228896.db2.gz HEWCFFFMHOTPPO-UHFFFAOYSA-N 2 0 365.478 -0.989 20 0 FBADRP CN(C)S(=O)(=O)c1ccc(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000566733114 485229752 /nfs/dbraw/zinc/22/97/52/485229752.db2.gz NRACOXVWMNTRHF-INIZCTEOSA-N 2 0 370.519 -0.365 20 0 FBADRP CN(C)S(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000566733116 485229677 /nfs/dbraw/zinc/22/96/77/485229677.db2.gz NRACOXVWMNTRHF-MRXNPFEDSA-N 2 0 370.519 -0.365 20 0 FBADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000566752442 485230591 /nfs/dbraw/zinc/23/05/91/485230591.db2.gz QIAGYMOHOVJBJR-INIZCTEOSA-N 3 0 355.527 -0.071 20 0 FBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000566752443 485230662 /nfs/dbraw/zinc/23/06/62/485230662.db2.gz QIAGYMOHOVJBJR-MRXNPFEDSA-N 3 0 355.527 -0.071 20 0 FBADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@H]2CC[NH+](C3CC3)C2)CCCO1 ZINC000566754233 485230394 /nfs/dbraw/zinc/23/03/94/485230394.db2.gz XSZNDSUOFRFJFP-CABCVRRESA-N 2 0 352.479 -0.044 20 0 FBADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N[C@H]2CC[NH+](C3CC3)C2)CCCO1 ZINC000566754234 485230937 /nfs/dbraw/zinc/23/09/37/485230937.db2.gz XSZNDSUOFRFJFP-GJZGRUSLSA-N 2 0 352.479 -0.044 20 0 FBADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@@H]2CC[NH+](C3CC3)C2)CCCO1 ZINC000566754235 485230756 /nfs/dbraw/zinc/23/07/56/485230756.db2.gz XSZNDSUOFRFJFP-HUUCEWRRSA-N 2 0 352.479 -0.044 20 0 FBADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N[C@@H]2CC[NH+](C3CC3)C2)CCCO1 ZINC000566754236 485231255 /nfs/dbraw/zinc/23/12/55/485231255.db2.gz XSZNDSUOFRFJFP-LSDHHAIUSA-N 2 0 352.479 -0.044 20 0 FBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000566819214 485232421 /nfs/dbraw/zinc/23/24/21/485232421.db2.gz YAEPOVJUMIGGGT-BMFZPTHFSA-N 2 0 354.495 -0.063 20 0 FBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000566819215 485231855 /nfs/dbraw/zinc/23/18/55/485231855.db2.gz YAEPOVJUMIGGGT-FVQBIDKESA-N 2 0 354.495 -0.063 20 0 FBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000566819216 485231781 /nfs/dbraw/zinc/23/17/81/485231781.db2.gz YAEPOVJUMIGGGT-KBMXLJTQSA-N 2 0 354.495 -0.063 20 0 FBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000566819217 485232370 /nfs/dbraw/zinc/23/23/70/485232370.db2.gz YAEPOVJUMIGGGT-VNQPRFMTSA-N 2 0 354.495 -0.063 20 0 FBADRP C[NH+](C)CCN1CCC(NC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000566822863 485231626 /nfs/dbraw/zinc/23/16/26/485231626.db2.gz AJIBAFMERZDXLE-INIZCTEOSA-N 2 0 368.526 -0.349 20 0 FBADRP C[NH+](C)CCN1CCC(NC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000566822869 485231664 /nfs/dbraw/zinc/23/16/64/485231664.db2.gz AJIBAFMERZDXLE-MRXNPFEDSA-N 2 0 368.526 -0.349 20 0 FBADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000566852439 485233813 /nfs/dbraw/zinc/23/38/13/485233813.db2.gz FOTQQESPAFLDSB-GOSISDBHSA-N 2 0 373.501 -0.211 20 0 FBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000566852440 485233339 /nfs/dbraw/zinc/23/33/39/485233339.db2.gz FOTQQESPAFLDSB-SFHVURJKSA-N 2 0 373.501 -0.211 20 0 FBADRP CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000566858381 485232953 /nfs/dbraw/zinc/23/29/53/485232953.db2.gz NGMATCQJGAVROI-ARFHVFGLSA-N 2 0 351.495 -0.722 20 0 FBADRP CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000566858387 485233792 /nfs/dbraw/zinc/23/37/92/485233792.db2.gz NGMATCQJGAVROI-HRCADAONSA-N 2 0 351.495 -0.722 20 0 FBADRP CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000566858388 485232742 /nfs/dbraw/zinc/23/27/42/485232742.db2.gz NGMATCQJGAVROI-JYJNAYRXSA-N 2 0 351.495 -0.722 20 0 FBADRP CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000566858389 485233013 /nfs/dbraw/zinc/23/30/13/485233013.db2.gz NGMATCQJGAVROI-XHSDSOJGSA-N 2 0 351.495 -0.722 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@H](CO)C2CCOCC2)C1 ZINC000566875459 485234461 /nfs/dbraw/zinc/23/44/61/485234461.db2.gz BQMTZGVLBIDQPC-DLBZAZTESA-N 2 0 357.495 -0.164 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@H](CO)C2CCOCC2)C1 ZINC000566875460 485234644 /nfs/dbraw/zinc/23/46/44/485234644.db2.gz BQMTZGVLBIDQPC-IAGOWNOFSA-N 2 0 357.495 -0.164 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@@H](CO)C2CCOCC2)C1 ZINC000566875461 485235037 /nfs/dbraw/zinc/23/50/37/485235037.db2.gz BQMTZGVLBIDQPC-IRXDYDNUSA-N 2 0 357.495 -0.164 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@H](CO)C2CCOCC2)C1 ZINC000566875462 485234022 /nfs/dbraw/zinc/23/40/22/485234022.db2.gz BQMTZGVLBIDQPC-SJORKVTESA-N 2 0 357.495 -0.164 20 0 FBADRP COC(=O)COc1cccc(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)c1 ZINC000566911095 485234001 /nfs/dbraw/zinc/23/40/01/485234001.db2.gz UIVJUYRGACKUJC-INIZCTEOSA-N 2 0 351.447 -0.064 20 0 FBADRP COC(=O)COc1cccc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)c1 ZINC000566911096 485235022 /nfs/dbraw/zinc/23/50/22/485235022.db2.gz UIVJUYRGACKUJC-MRXNPFEDSA-N 2 0 351.447 -0.064 20 0 FBADRP CN(CCC[NH+](C)C)C(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000566931300 485235758 /nfs/dbraw/zinc/23/57/58/485235758.db2.gz QAXCAZCXDMRDAI-AWEZNQCLSA-N 2 0 355.483 -0.900 20 0 FBADRP CN(CCC[NH+](C)C)C(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000566931301 485235774 /nfs/dbraw/zinc/23/57/74/485235774.db2.gz QAXCAZCXDMRDAI-CQSZACIVSA-N 2 0 355.483 -0.900 20 0 FBADRP CC[NH+]1CCC(CCNC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)CC1 ZINC000566991192 485238361 /nfs/dbraw/zinc/23/83/61/485238361.db2.gz SVEXJEPFWCMAFP-INIZCTEOSA-N 2 0 353.511 -0.413 20 0 FBADRP CC[NH+]1CCC(CCNC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC000566991193 485238501 /nfs/dbraw/zinc/23/85/01/485238501.db2.gz SVEXJEPFWCMAFP-MRXNPFEDSA-N 2 0 353.511 -0.413 20 0 FBADRP CN(CCC[NH+](C)C)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000566996108 485238317 /nfs/dbraw/zinc/23/83/17/485238317.db2.gz LPGBPQGHNINCGY-CVEARBPZSA-N 2 0 354.495 -0.110 20 0 FBADRP CN(CCC[NH+](C)C)C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000566996109 485238083 /nfs/dbraw/zinc/23/80/83/485238083.db2.gz LPGBPQGHNINCGY-HOTGVXAUSA-N 2 0 354.495 -0.110 20 0 FBADRP CN(CCC[NH+](C)C)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000566996110 485237916 /nfs/dbraw/zinc/23/79/16/485237916.db2.gz LPGBPQGHNINCGY-HZPDHXFCSA-N 2 0 354.495 -0.110 20 0 FBADRP CN(CCC[NH+](C)C)C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000566996111 485238077 /nfs/dbraw/zinc/23/80/77/485238077.db2.gz LPGBPQGHNINCGY-JKSUJKDBSA-N 2 0 354.495 -0.110 20 0 FBADRP C[C@H](NC(=O)C(=O)NCCN1CCOCC1(C)C)C1=CC[N@H+](C)CC1 ZINC000567026389 485238955 /nfs/dbraw/zinc/23/89/55/485238955.db2.gz AKLANECBLZPZNJ-AWEZNQCLSA-N 2 0 352.479 -0.020 20 0 FBADRP C[C@@H](NC(=O)C(=O)NCCN1CCOCC1(C)C)C1=CC[N@H+](C)CC1 ZINC000567026390 485239440 /nfs/dbraw/zinc/23/94/40/485239440.db2.gz AKLANECBLZPZNJ-CQSZACIVSA-N 2 0 352.479 -0.020 20 0 FBADRP CN(CCN1CCOCC1)C(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000567027498 485239194 /nfs/dbraw/zinc/23/91/94/485239194.db2.gz TTWFUFPGIUCUOS-INIZCTEOSA-N 2 0 352.479 -0.090 20 0 FBADRP CN(CCN1CCOCC1)C(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000567027499 485239394 /nfs/dbraw/zinc/23/93/94/485239394.db2.gz TTWFUFPGIUCUOS-MRXNPFEDSA-N 2 0 352.479 -0.090 20 0 FBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000567048398 485240482 /nfs/dbraw/zinc/24/04/82/485240482.db2.gz AJWXAEFPVYJGKR-KBPBESRZSA-N 2 0 362.478 -0.308 20 0 FBADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000567048399 485240132 /nfs/dbraw/zinc/24/01/32/485240132.db2.gz AJWXAEFPVYJGKR-KGLIPLIRSA-N 2 0 362.478 -0.308 20 0 FBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000567048400 485240816 /nfs/dbraw/zinc/24/08/16/485240816.db2.gz AJWXAEFPVYJGKR-UONOGXRCSA-N 2 0 362.478 -0.308 20 0 FBADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000567048401 485240627 /nfs/dbraw/zinc/24/06/27/485240627.db2.gz AJWXAEFPVYJGKR-ZIAGYGMSSA-N 2 0 362.478 -0.308 20 0 FBADRP [NH3+]CCc1nc(C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cs1 ZINC000567049309 484041327 /nfs/dbraw/zinc/04/13/27/484041327.db2.gz MUHLCEPGIPCPGR-GFCCVEGCSA-N 2 0 351.476 -0.072 20 0 FBADRP [NH3+]CCc1nc(C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cs1 ZINC000567049310 484039705 /nfs/dbraw/zinc/03/97/05/484039705.db2.gz MUHLCEPGIPCPGR-LBPRGKRZSA-N 2 0 351.476 -0.072 20 0 FBADRP COC(=O)CCNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000567049449 485240800 /nfs/dbraw/zinc/24/08/00/485240800.db2.gz VPFHKHWWPNHQBS-KBPBESRZSA-N 2 0 354.451 -0.754 20 0 FBADRP COC(=O)CCNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000567049450 485240033 /nfs/dbraw/zinc/24/00/33/485240033.db2.gz VPFHKHWWPNHQBS-KGLIPLIRSA-N 2 0 354.451 -0.754 20 0 FBADRP COC(=O)CCNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000567049451 485240636 /nfs/dbraw/zinc/24/06/36/485240636.db2.gz VPFHKHWWPNHQBS-UONOGXRCSA-N 2 0 354.451 -0.754 20 0 FBADRP COC(=O)CCNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000567049452 485240337 /nfs/dbraw/zinc/24/03/37/485240337.db2.gz VPFHKHWWPNHQBS-ZIAGYGMSSA-N 2 0 354.451 -0.754 20 0 FBADRP C[C@@H]1CCC[C@@](CNC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])([NH+](C)C)C1 ZINC000567097017 485241904 /nfs/dbraw/zinc/24/19/04/485241904.db2.gz MIMJBQSJEMAUQL-IIDMSEBBSA-N 2 0 353.511 -0.286 20 0 FBADRP C[C@@H]1CCC[C@](CNC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])([NH+](C)C)C1 ZINC000567097018 485242053 /nfs/dbraw/zinc/24/20/53/485242053.db2.gz MIMJBQSJEMAUQL-RKVPGOIHSA-N 2 0 353.511 -0.286 20 0 FBADRP C[C@@H]1CCC[C@@](CNC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])([NH+](C)C)C1 ZINC000567097019 485241924 /nfs/dbraw/zinc/24/19/24/485241924.db2.gz MIMJBQSJEMAUQL-RVKKMQEKSA-N 2 0 353.511 -0.286 20 0 FBADRP C[C@@H]1CCC[C@](CNC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])([NH+](C)C)C1 ZINC000567097020 485242075 /nfs/dbraw/zinc/24/20/75/485242075.db2.gz MIMJBQSJEMAUQL-VKJFTORMSA-N 2 0 353.511 -0.286 20 0 FBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H](C)C1=CC[NH+](C)CC1 ZINC000567099245 485241303 /nfs/dbraw/zinc/24/13/03/485241303.db2.gz VBBDDJGETJOQTE-GDBMZVCRSA-N 2 0 352.479 -0.020 20 0 FBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)C1=CC[NH+](C)CC1 ZINC000567099246 485241827 /nfs/dbraw/zinc/24/18/27/485241827.db2.gz VBBDDJGETJOQTE-GOEBONIOSA-N 2 0 352.479 -0.020 20 0 FBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H](C)C1=CC[NH+](C)CC1 ZINC000567099247 485241723 /nfs/dbraw/zinc/24/17/23/485241723.db2.gz VBBDDJGETJOQTE-HOCLYGCPSA-N 2 0 352.479 -0.020 20 0 FBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@H](C)C1=CC[NH+](C)CC1 ZINC000567099248 485241423 /nfs/dbraw/zinc/24/14/23/485241423.db2.gz VBBDDJGETJOQTE-ZBFHGGJFSA-N 2 0 352.479 -0.020 20 0 FBADRP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](CCOC)C2)CC1 ZINC000567117806 485241974 /nfs/dbraw/zinc/24/19/74/485241974.db2.gz VKKMOBJOGYOSIS-HNNXBMFYSA-N 2 0 356.467 -0.950 20 0 FBADRP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CCOC)C2)CC1 ZINC000567117807 485242254 /nfs/dbraw/zinc/24/22/54/485242254.db2.gz VKKMOBJOGYOSIS-OAHLLOKOSA-N 2 0 356.467 -0.950 20 0 FBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NCC2CC[NH2+]CC2)CC1 ZINC000567151061 485242982 /nfs/dbraw/zinc/24/29/82/485242982.db2.gz LCRHZNSKIKKBHY-UHFFFAOYSA-N 2 0 361.446 -0.145 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCC[C@@H](C[NH3+])C3)CC2)c1 ZINC000567159499 485242628 /nfs/dbraw/zinc/24/26/28/485242628.db2.gz OJHQBFWOAZVPNX-AWEZNQCLSA-N 2 0 361.446 -0.064 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCC[C@H](C[NH3+])C3)CC2)c1 ZINC000567159500 485243111 /nfs/dbraw/zinc/24/31/11/485243111.db2.gz OJHQBFWOAZVPNX-CQSZACIVSA-N 2 0 361.446 -0.064 20 0 FBADRP CC(=O)N1CCC(NC(=O)C[N@@H+](C)CCCN(C)CC[NH+](C)C)CC1 ZINC000567224966 485245622 /nfs/dbraw/zinc/24/56/22/485245622.db2.gz KTNMFVBGZPKVGR-UHFFFAOYSA-N 2 0 355.527 -0.071 20 0 FBADRP CN(CCC[NH3+])C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000567250567 485246337 /nfs/dbraw/zinc/24/63/37/485246337.db2.gz OXFFHRSQWDWRQQ-UHFFFAOYSA-N 3 0 362.478 -0.483 20 0 FBADRP CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)C(=O)NC1C[NH2+]C1 ZINC000567337962 485250038 /nfs/dbraw/zinc/25/00/38/485250038.db2.gz QBIVVTRMWMNDMR-UHFFFAOYSA-N 2 0 365.522 -0.271 20 0 FBADRP CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000567344006 485250055 /nfs/dbraw/zinc/25/00/55/485250055.db2.gz PJWFJWRMMAAOMP-INIZCTEOSA-N 2 0 365.522 -0.175 20 0 FBADRP CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000567344007 485249583 /nfs/dbraw/zinc/24/95/83/485249583.db2.gz PJWFJWRMMAAOMP-MRXNPFEDSA-N 2 0 365.522 -0.175 20 0 FBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000567345809 485250105 /nfs/dbraw/zinc/25/01/05/485250105.db2.gz UYQBDQAWCCMPLC-HNNXBMFYSA-N 2 0 359.467 -0.203 20 0 FBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000567345810 485250244 /nfs/dbraw/zinc/25/02/44/485250244.db2.gz UYQBDQAWCCMPLC-OAHLLOKOSA-N 2 0 359.467 -0.203 20 0 FBADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NC[C@@H]2C[NH+](C)CCN2C)C1 ZINC000567401157 485252657 /nfs/dbraw/zinc/25/26/57/485252657.db2.gz OTUMRNZQBMOAPO-DLBZAZTESA-N 2 0 367.538 -0.167 20 0 FBADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@@H]2C[NH+](C)CCN2C)C1 ZINC000567401158 485252688 /nfs/dbraw/zinc/25/26/88/485252688.db2.gz OTUMRNZQBMOAPO-IAGOWNOFSA-N 2 0 367.538 -0.167 20 0 FBADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NC[C@H]2C[NH+](C)CCN2C)C1 ZINC000567401159 485252464 /nfs/dbraw/zinc/25/24/64/485252464.db2.gz OTUMRNZQBMOAPO-IRXDYDNUSA-N 2 0 367.538 -0.167 20 0 FBADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@H]2C[NH+](C)CCN2C)C1 ZINC000567401160 485252018 /nfs/dbraw/zinc/25/20/18/485252018.db2.gz OTUMRNZQBMOAPO-SJORKVTESA-N 2 0 367.538 -0.167 20 0 FBADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000567500747 485256496 /nfs/dbraw/zinc/25/64/96/485256496.db2.gz IAWZMZZWDBDVHG-KBPBESRZSA-N 2 0 363.466 -0.510 20 0 FBADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000567500748 485256869 /nfs/dbraw/zinc/25/68/69/485256869.db2.gz IAWZMZZWDBDVHG-KGLIPLIRSA-N 2 0 363.466 -0.510 20 0 FBADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000567500749 485257344 /nfs/dbraw/zinc/25/73/44/485257344.db2.gz IAWZMZZWDBDVHG-UONOGXRCSA-N 2 0 363.466 -0.510 20 0 FBADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000567500750 485256992 /nfs/dbraw/zinc/25/69/92/485256992.db2.gz IAWZMZZWDBDVHG-ZIAGYGMSSA-N 2 0 363.466 -0.510 20 0 FBADRP CN1CCC([NH+]2CCC(NC(=O)CCNC(=O)[C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000567784919 485266812 /nfs/dbraw/zinc/26/68/12/485266812.db2.gz FNWABWJQTLAEBM-KRWDZBQOSA-N 2 0 365.522 -0.081 20 0 FBADRP CN1CCC([NH+]2CCC(NC(=O)CCNC(=O)[C@H]3CCC[NH2+]3)CC2)CC1 ZINC000567784920 485266787 /nfs/dbraw/zinc/26/67/87/485266787.db2.gz FNWABWJQTLAEBM-QGZVFWFLSA-N 2 0 365.522 -0.081 20 0 FBADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000567881358 485271375 /nfs/dbraw/zinc/27/13/75/485271375.db2.gz WYDCXENRBXKTLB-CABCVRRESA-N 2 0 369.510 -0.859 20 0 FBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000567881359 485271345 /nfs/dbraw/zinc/27/13/45/485271345.db2.gz WYDCXENRBXKTLB-GJZGRUSLSA-N 2 0 369.510 -0.859 20 0 FBADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000567881360 485270691 /nfs/dbraw/zinc/27/06/91/485270691.db2.gz WYDCXENRBXKTLB-HUUCEWRRSA-N 2 0 369.510 -0.859 20 0 FBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000567881361 485271045 /nfs/dbraw/zinc/27/10/45/485271045.db2.gz WYDCXENRBXKTLB-LSDHHAIUSA-N 2 0 369.510 -0.859 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000567889918 485271995 /nfs/dbraw/zinc/27/19/95/485271995.db2.gz JWZOORKILNBBBU-KRWDZBQOSA-N 3 0 367.538 -0.214 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000567889919 485271799 /nfs/dbraw/zinc/27/17/99/485271799.db2.gz JWZOORKILNBBBU-QGZVFWFLSA-N 3 0 367.538 -0.214 20 0 FBADRP Cn1cc(S(=O)(=O)NCC[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cn1 ZINC000567894519 485272272 /nfs/dbraw/zinc/27/22/72/485272272.db2.gz AEPFUUKUKURYIQ-CABCVRRESA-N 2 0 357.480 -0.473 20 0 FBADRP CC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)CC1 ZINC000567895704 485272021 /nfs/dbraw/zinc/27/20/21/485272021.db2.gz UTQGSMFCZVSMHN-XKQJLSEDSA-N 2 0 352.479 -0.106 20 0 FBADRP CC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)CC1 ZINC000567895705 485272086 /nfs/dbraw/zinc/27/20/86/485272086.db2.gz UTQGSMFCZVSMHN-XYPHTWIQSA-N 2 0 352.479 -0.106 20 0 FBADRP [NH3+]CCCOC1CC[NH+](CC(=O)N2CCN(c3cnccn3)CC2)CC1 ZINC000567897426 485272289 /nfs/dbraw/zinc/27/22/89/485272289.db2.gz ILMFWTPLUBDAQQ-UHFFFAOYSA-N 2 0 362.478 -0.045 20 0 FBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000567907162 485272222 /nfs/dbraw/zinc/27/22/22/485272222.db2.gz GZUPYLBFXDGVEH-DZKIICNBSA-N 2 0 367.494 -0.807 20 0 FBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000567907163 485271747 /nfs/dbraw/zinc/27/17/47/485271747.db2.gz GZUPYLBFXDGVEH-FMKPAKJESA-N 2 0 367.494 -0.807 20 0 FBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000567907164 485272159 /nfs/dbraw/zinc/27/21/59/485272159.db2.gz GZUPYLBFXDGVEH-LZWOXQAQSA-N 2 0 367.494 -0.807 20 0 FBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000567907165 485272283 /nfs/dbraw/zinc/27/22/83/485272283.db2.gz GZUPYLBFXDGVEH-YCPHGPKFSA-N 2 0 367.494 -0.807 20 0 FBADRP CC[NH+](CC)CCN(C(=O)[C@@H]1CC[C@H](C[NH3+])O1)[C@@H]1CCS(=O)(=O)C1 ZINC000567913598 485273438 /nfs/dbraw/zinc/27/34/38/485273438.db2.gz KTXUZOUORNYAIH-KFWWJZLASA-N 2 0 361.508 -0.150 20 0 FBADRP CC[NH+](CC)CCN(C(=O)[C@@H]1CC[C@H](C[NH3+])O1)[C@H]1CCS(=O)(=O)C1 ZINC000567913599 485272889 /nfs/dbraw/zinc/27/28/89/485272889.db2.gz KTXUZOUORNYAIH-ZNMIVQPWSA-N 2 0 361.508 -0.150 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCC(O)(C[NH3+])CC2)CC1=O ZINC000567982118 485275003 /nfs/dbraw/zinc/27/50/03/485275003.db2.gz NIARKFGSJGSWOK-CABCVRRESA-N 2 0 352.479 -0.369 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCC(O)(C[NH3+])CC2)CC1=O ZINC000567982119 485275211 /nfs/dbraw/zinc/27/52/11/485275211.db2.gz NIARKFGSJGSWOK-GJZGRUSLSA-N 2 0 352.479 -0.369 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC(O)(C[NH3+])CC2)CC1=O ZINC000567982120 485275635 /nfs/dbraw/zinc/27/56/35/485275635.db2.gz NIARKFGSJGSWOK-HUUCEWRRSA-N 2 0 352.479 -0.369 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC(O)(C[NH3+])CC2)CC1=O ZINC000567982121 485275512 /nfs/dbraw/zinc/27/55/12/485275512.db2.gz NIARKFGSJGSWOK-LSDHHAIUSA-N 2 0 352.479 -0.369 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC000567990337 485274795 /nfs/dbraw/zinc/27/47/95/485274795.db2.gz VKLZSKKJNVHLQL-MSOLQXFVSA-N 2 0 367.538 -0.561 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC000567990338 485275522 /nfs/dbraw/zinc/27/55/22/485275522.db2.gz VKLZSKKJNVHLQL-QZTJIDSGSA-N 2 0 367.538 -0.561 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC000567990339 485275177 /nfs/dbraw/zinc/27/51/77/485275177.db2.gz VKLZSKKJNVHLQL-ROUUACIJSA-N 2 0 367.538 -0.561 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC000567990340 485275251 /nfs/dbraw/zinc/27/52/51/485275251.db2.gz VKLZSKKJNVHLQL-ZWKOTPCHSA-N 2 0 367.538 -0.561 20 0 FBADRP C[N@@H+]1CC[C@H](NC(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)[C@H]1c1ccccc1 ZINC000568059705 485279222 /nfs/dbraw/zinc/27/92/22/485279222.db2.gz BIBOGRBADBGUME-DOTOQJQBSA-N 2 0 373.457 -0.904 20 0 FBADRP C[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)[C@H]1c1ccccc1 ZINC000568059708 485279808 /nfs/dbraw/zinc/27/98/08/485279808.db2.gz BIBOGRBADBGUME-NVXWUHKLSA-N 2 0 373.457 -0.904 20 0 FBADRP C[N@@H+]1CC[C@H](NC(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)[C@@H]1c1ccccc1 ZINC000568059709 485279703 /nfs/dbraw/zinc/27/97/03/485279703.db2.gz BIBOGRBADBGUME-RDJZCZTQSA-N 2 0 373.457 -0.904 20 0 FBADRP C[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)[C@@H]1c1ccccc1 ZINC000568059710 485279983 /nfs/dbraw/zinc/27/99/83/485279983.db2.gz BIBOGRBADBGUME-WBVHZDCISA-N 2 0 373.457 -0.904 20 0 FBADRP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000568094986 485281223 /nfs/dbraw/zinc/28/12/23/485281223.db2.gz RBIFPTAXPJTAHE-BBRMVZONSA-N 2 0 352.479 -0.188 20 0 FBADRP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000568094987 485280599 /nfs/dbraw/zinc/28/05/99/485280599.db2.gz RBIFPTAXPJTAHE-CJNGLKHVSA-N 2 0 352.479 -0.188 20 0 FBADRP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000568094988 485280436 /nfs/dbraw/zinc/28/04/36/485280436.db2.gz RBIFPTAXPJTAHE-CZUORRHYSA-N 2 0 352.479 -0.188 20 0 FBADRP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000568094989 485280296 /nfs/dbraw/zinc/28/02/96/485280296.db2.gz RBIFPTAXPJTAHE-XJKSGUPXSA-N 2 0 352.479 -0.188 20 0 FBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CCC(CC[NH3+])CC2)C1 ZINC000568095257 485280725 /nfs/dbraw/zinc/28/07/25/485280725.db2.gz YDUZPSAJHRNOPH-HNNXBMFYSA-N 2 0 367.494 -0.723 20 0 FBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CCC(CC[NH3+])CC2)C1 ZINC000568095258 485281032 /nfs/dbraw/zinc/28/10/32/485281032.db2.gz YDUZPSAJHRNOPH-OAHLLOKOSA-N 2 0 367.494 -0.723 20 0 FBADRP C[NH+](C)CCn1ccc(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1 ZINC000568190640 485285164 /nfs/dbraw/zinc/28/51/64/485285164.db2.gz LDWOHPSJXLWHSE-UHFFFAOYSA-N 2 0 362.478 -0.175 20 0 FBADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000568234839 485285867 /nfs/dbraw/zinc/28/58/67/485285867.db2.gz YIIHJDSNNZIAAH-AWEZNQCLSA-N 2 0 367.494 -0.839 20 0 FBADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000568234840 485285632 /nfs/dbraw/zinc/28/56/32/485285632.db2.gz YIIHJDSNNZIAAH-CQSZACIVSA-N 2 0 367.494 -0.839 20 0 FBADRP COc1ccc(C[C@H](CO)C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)cc1O ZINC000568269106 485289562 /nfs/dbraw/zinc/28/95/62/485289562.db2.gz YGRDZNJONSYKFT-DLBZAZTESA-N 2 0 367.490 -0.250 20 0 FBADRP COc1ccc(C[C@@H](CO)C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)cc1O ZINC000568269107 485289850 /nfs/dbraw/zinc/28/98/50/485289850.db2.gz YGRDZNJONSYKFT-IAGOWNOFSA-N 2 0 367.490 -0.250 20 0 FBADRP COc1ccc(C[C@H](CO)C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)cc1O ZINC000568269108 485289855 /nfs/dbraw/zinc/28/98/55/485289855.db2.gz YGRDZNJONSYKFT-IRXDYDNUSA-N 2 0 367.490 -0.250 20 0 FBADRP COc1ccc(C[C@@H](CO)C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)cc1O ZINC000568269109 485289452 /nfs/dbraw/zinc/28/94/52/485289452.db2.gz YGRDZNJONSYKFT-SJORKVTESA-N 2 0 367.490 -0.250 20 0 FBADRP CC[N@H+](CCO)CCNC(=O)NC1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000568288105 485291101 /nfs/dbraw/zinc/29/11/01/485291101.db2.gz VAPPSKOBDVUKNJ-UHFFFAOYSA-N 2 0 357.499 -0.410 20 0 FBADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000568292299 485290344 /nfs/dbraw/zinc/29/03/44/485290344.db2.gz JLQYMWGIQYBFMV-AWEZNQCLSA-N 2 0 367.494 -0.793 20 0 FBADRP CN(CCC[NH3+])C(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000568292471 485291155 /nfs/dbraw/zinc/29/11/55/485291155.db2.gz NWJLCKVEUQJXRN-UHFFFAOYSA-N 2 0 361.490 -0.272 20 0 FBADRP C[C@H](CCNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)[NH+]1CCCCC1 ZINC000568292637 485291175 /nfs/dbraw/zinc/29/11/75/485291175.db2.gz SFDDMHYLKCKQJL-ILXRZTDVSA-N 2 0 365.478 -0.863 20 0 FBADRP C[C@H](CCNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)[NH+]1CCCCC1 ZINC000568292638 485291223 /nfs/dbraw/zinc/29/12/23/485291223.db2.gz SFDDMHYLKCKQJL-KFWWJZLASA-N 2 0 365.478 -0.863 20 0 FBADRP C[C@H](CCNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)[NH+]1CCCCC1 ZINC000568292639 485290811 /nfs/dbraw/zinc/29/08/11/485290811.db2.gz SFDDMHYLKCKQJL-QLFBSQMISA-N 2 0 365.478 -0.863 20 0 FBADRP C[C@H](CCNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)[NH+]1CCCCC1 ZINC000568292640 485290932 /nfs/dbraw/zinc/29/09/32/485290932.db2.gz SFDDMHYLKCKQJL-RBSFLKMASA-N 2 0 365.478 -0.863 20 0 FBADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)NC3CC[NH+](Cc4ccncc4)CC3)CCN2C1=O ZINC000568293949 485290829 /nfs/dbraw/zinc/29/08/29/485290829.db2.gz HEJJKKGITXXHJY-DLBZAZTESA-N 2 0 372.473 -0.001 20 0 FBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NC3CC[NH+](Cc4ccncc4)CC3)CCN2C1=O ZINC000568293950 485290606 /nfs/dbraw/zinc/29/06/06/485290606.db2.gz HEJJKKGITXXHJY-IAGOWNOFSA-N 2 0 372.473 -0.001 20 0 FBADRP [NH3+][C@H]1C[C@H]2CN(C(=O)NC3CC[NH+](Cc4ccncc4)CC3)CCN2C1=O ZINC000568293951 485290589 /nfs/dbraw/zinc/29/05/89/485290589.db2.gz HEJJKKGITXXHJY-IRXDYDNUSA-N 2 0 372.473 -0.001 20 0 FBADRP [NH3+][C@H]1C[C@@H]2CN(C(=O)NC3CC[NH+](Cc4ccncc4)CC3)CCN2C1=O ZINC000568293952 485290800 /nfs/dbraw/zinc/29/08/00/485290800.db2.gz HEJJKKGITXXHJY-SJORKVTESA-N 2 0 372.473 -0.001 20 0 FBADRP C[C@H](NC(=O)C(=O)NCCCC[NH+]1CCOCC1)C1=CC[N@H+](C)CC1 ZINC000568302699 485292007 /nfs/dbraw/zinc/29/20/07/485292007.db2.gz NZUAUYYVEXJJRH-HNNXBMFYSA-N 2 0 352.479 -0.018 20 0 FBADRP C[C@@H](NC(=O)C(=O)NCCCC[NH+]1CCOCC1)C1=CC[N@H+](C)CC1 ZINC000568302700 485292130 /nfs/dbraw/zinc/29/21/30/485292130.db2.gz NZUAUYYVEXJJRH-OAHLLOKOSA-N 2 0 352.479 -0.018 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cc2n(n1)CCCC2 ZINC000568311522 484088624 /nfs/dbraw/zinc/08/86/24/484088624.db2.gz QUFWSSWNPCJVMM-UHFFFAOYSA-N 2 0 350.467 0.110 20 0 FBADRP O=C(CCNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)N1CCN(c2ccccn2)CC1 ZINC000568371924 485294256 /nfs/dbraw/zinc/29/42/56/485294256.db2.gz NSLRJHPZEVEPHH-IYBDPMFKSA-N 2 0 372.473 -0.019 20 0 FBADRP COCCN1CCN(C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000568373343 485293896 /nfs/dbraw/zinc/29/38/96/485293896.db2.gz JTJOMFAMPSLSHT-INIZCTEOSA-N 2 0 358.508 -0.670 20 0 FBADRP COCCN1CCN(C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000568373344 485294487 /nfs/dbraw/zinc/29/44/87/485294487.db2.gz JTJOMFAMPSLSHT-MRXNPFEDSA-N 2 0 358.508 -0.670 20 0 FBADRP CC(C)(O)CN1CCN(C(=O)C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000568406098 485295574 /nfs/dbraw/zinc/29/55/74/485295574.db2.gz MEBFSFIZTOPNIV-UHFFFAOYSA-N 2 0 354.495 -0.106 20 0 FBADRP CN(C)c1nc(N)nc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)n1 ZINC000568427938 484526005 /nfs/dbraw/zinc/52/60/05/484526005.db2.gz VXYNAYWZKNLCAZ-UHFFFAOYSA-N 2 0 352.487 -0.135 20 0 FBADRP C[NH+](C)[C@H](CNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1)c1cccs1 ZINC000568491553 485297374 /nfs/dbraw/zinc/29/73/74/485297374.db2.gz JKONJHPJDVTZDX-GFCCVEGCSA-N 2 0 367.475 -0.985 20 0 FBADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1)c1cccs1 ZINC000568491554 485297681 /nfs/dbraw/zinc/29/76/81/485297681.db2.gz JKONJHPJDVTZDX-LBPRGKRZSA-N 2 0 367.475 -0.985 20 0 FBADRP C[NH+](C)C1(CNC(=O)C(=O)N2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)CCC1 ZINC000568491616 485297671 /nfs/dbraw/zinc/29/76/71/485297671.db2.gz RKBZBHGTWVJSNK-CABCVRRESA-N 2 0 364.490 -0.186 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc2c1CNC2=O ZINC000568548727 485301481 /nfs/dbraw/zinc/30/14/81/485301481.db2.gz FHRRCXGRKIKFBO-UHFFFAOYSA-N 2 0 361.446 -0.180 20 0 FBADRP COC[C@]1(CNC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CCC[NH2+]1 ZINC000568609831 485302241 /nfs/dbraw/zinc/30/22/41/485302241.db2.gz TUPFCBCCDMEWKY-CRAIPNDOSA-N 2 0 367.494 -0.297 20 0 FBADRP COC[C@]1(CNC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CCC[NH2+]1 ZINC000568609832 485302027 /nfs/dbraw/zinc/30/20/27/485302027.db2.gz TUPFCBCCDMEWKY-MAUKXSAKSA-N 2 0 367.494 -0.297 20 0 FBADRP COC[C@@]1(CNC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CCC[NH2+]1 ZINC000568609833 485302477 /nfs/dbraw/zinc/30/24/77/485302477.db2.gz TUPFCBCCDMEWKY-QAPCUYQASA-N 2 0 367.494 -0.297 20 0 FBADRP COC[C@@]1(CNC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CCC[NH2+]1 ZINC000568609834 485302045 /nfs/dbraw/zinc/30/20/45/485302045.db2.gz TUPFCBCCDMEWKY-YJBOKZPZSA-N 2 0 367.494 -0.297 20 0 FBADRP C[NH+]1CCN(C[C@H](NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)c2ccccc2)CC1 ZINC000568624242 485301984 /nfs/dbraw/zinc/30/19/84/485301984.db2.gz JEKOBNINCRPNRF-MSOLQXFVSA-N 2 0 373.501 -0.041 20 0 FBADRP C[NH+]1CCN(C[C@@H](NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)c2ccccc2)CC1 ZINC000568624243 485302455 /nfs/dbraw/zinc/30/24/55/485302455.db2.gz JEKOBNINCRPNRF-QZTJIDSGSA-N 2 0 373.501 -0.041 20 0 FBADRP C[NH+]1CCN(C[C@H](NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)c2ccccc2)CC1 ZINC000568624244 485301747 /nfs/dbraw/zinc/30/17/47/485301747.db2.gz JEKOBNINCRPNRF-ROUUACIJSA-N 2 0 373.501 -0.041 20 0 FBADRP C[NH+]1CCN(C[C@@H](NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)c2ccccc2)CC1 ZINC000568624245 485302557 /nfs/dbraw/zinc/30/25/57/485302557.db2.gz JEKOBNINCRPNRF-ZWKOTPCHSA-N 2 0 373.501 -0.041 20 0 FBADRP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N(C)CCC[NH3+])cn2)CC1 ZINC000568650090 485304979 /nfs/dbraw/zinc/30/49/79/485304979.db2.gz YJCDJCKPNZFXFE-UHFFFAOYSA-N 2 0 362.478 -0.353 20 0 FBADRP CCOC(=O)C1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000568724128 485305740 /nfs/dbraw/zinc/30/57/40/485305740.db2.gz RFHDRGFJZDZVAH-UHFFFAOYSA-N 2 0 370.494 -0.260 20 0 FBADRP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)CCN1C[C@H](C)O ZINC000568729273 485306530 /nfs/dbraw/zinc/30/65/30/485306530.db2.gz DQDXNKLCYYFACG-FCEWJHQRSA-N 2 0 366.506 -0.156 20 0 FBADRP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)CCN1C[C@H](C)O ZINC000568729280 485306465 /nfs/dbraw/zinc/30/64/65/485306465.db2.gz DQDXNKLCYYFACG-FRQCXROJSA-N 2 0 366.506 -0.156 20 0 FBADRP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)CCN1C[C@@H](C)O ZINC000568729281 485305917 /nfs/dbraw/zinc/30/59/17/485305917.db2.gz DQDXNKLCYYFACG-GPMSIDNRSA-N 2 0 366.506 -0.156 20 0 FBADRP C[NH+](C)CC[C@@H](NC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1)C(C)(C)C ZINC000568737285 485307550 /nfs/dbraw/zinc/30/75/50/485307550.db2.gz FQBIXPKGWADSAQ-CYBMUJFWSA-N 2 0 355.483 -0.983 20 0 FBADRP C[NH+](C)CC[C@H](NC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1)C(C)(C)C ZINC000568737286 485306887 /nfs/dbraw/zinc/30/68/87/485306887.db2.gz FQBIXPKGWADSAQ-ZDUSSCGKSA-N 2 0 355.483 -0.983 20 0 FBADRP CCN1CC[NH+](CCCCNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000568752132 485306944 /nfs/dbraw/zinc/30/69/44/485306944.db2.gz BOWAVKZIVZBUDT-INIZCTEOSA-N 2 0 353.511 -0.221 20 0 FBADRP CCN1CC[NH+](CCCCNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000568752133 485307275 /nfs/dbraw/zinc/30/72/75/485307275.db2.gz BOWAVKZIVZBUDT-MRXNPFEDSA-N 2 0 353.511 -0.221 20 0 FBADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000568762044 485308548 /nfs/dbraw/zinc/30/85/48/485308548.db2.gz SRJFVUOJQGMRBR-DNLWUEFJSA-N 2 0 365.522 -0.002 20 0 FBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000568762045 485308631 /nfs/dbraw/zinc/30/86/31/485308631.db2.gz SRJFVUOJQGMRBR-HCMIALLCSA-N 2 0 365.522 -0.002 20 0 FBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000568762046 485308573 /nfs/dbraw/zinc/30/85/73/485308573.db2.gz SRJFVUOJQGMRBR-UIJGJVKASA-N 2 0 365.522 -0.002 20 0 FBADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000568762047 485308005 /nfs/dbraw/zinc/30/80/05/485308005.db2.gz SRJFVUOJQGMRBR-VPEURPPWSA-N 2 0 365.522 -0.002 20 0 FBADRP CCC(CC)[C@H](CNC(=O)NCC(=O)N1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000568847277 485310176 /nfs/dbraw/zinc/31/01/76/485310176.db2.gz DDHYEAONGSAXLH-INIZCTEOSA-N 2 0 369.510 -0.146 20 0 FBADRP CCC(CC)[C@@H](CNC(=O)NCC(=O)N1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000568847278 485310786 /nfs/dbraw/zinc/31/07/86/485310786.db2.gz DDHYEAONGSAXLH-MRXNPFEDSA-N 2 0 369.510 -0.146 20 0 FBADRP COCC1(C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC[NH2+]CC1 ZINC000568879278 485311268 /nfs/dbraw/zinc/31/12/68/485311268.db2.gz JUPJJLYPPHGYPJ-HNNXBMFYSA-N 2 0 352.479 -0.327 20 0 FBADRP COCC1(C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC[NH2+]CC1 ZINC000568879279 485311313 /nfs/dbraw/zinc/31/13/13/485311313.db2.gz JUPJJLYPPHGYPJ-OAHLLOKOSA-N 2 0 352.479 -0.327 20 0 FBADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000568890763 485312399 /nfs/dbraw/zinc/31/23/99/485312399.db2.gz IBVNHKYXHMGBKL-DOTOQJQBSA-N 2 0 365.522 -0.319 20 0 FBADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000568890764 485312232 /nfs/dbraw/zinc/31/22/32/485312232.db2.gz IBVNHKYXHMGBKL-NVXWUHKLSA-N 2 0 365.522 -0.319 20 0 FBADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000568890765 485312135 /nfs/dbraw/zinc/31/21/35/485312135.db2.gz IBVNHKYXHMGBKL-RDJZCZTQSA-N 2 0 365.522 -0.319 20 0 FBADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000568890766 485312483 /nfs/dbraw/zinc/31/24/83/485312483.db2.gz IBVNHKYXHMGBKL-WBVHZDCISA-N 2 0 365.522 -0.319 20 0 FBADRP CN(C)S(=O)(=O)CCCS(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000568948878 485312913 /nfs/dbraw/zinc/31/29/13/485312913.db2.gz XCENEFFTMZKOGT-UHFFFAOYSA-N 2 0 372.557 -0.977 20 0 FBADRP O=C(C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)N1CC[NH+](CC2CCOCC2)CC1 ZINC000568987883 485314093 /nfs/dbraw/zinc/31/40/93/485314093.db2.gz RFHGVMTUZLIHLU-CALCHBBNSA-N 2 0 364.490 -0.090 20 0 FBADRP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000569083423 484171566 /nfs/dbraw/zinc/17/15/66/484171566.db2.gz NCHRWLCEZXMGCA-KGLIPLIRSA-N 2 0 366.466 0.450 20 0 FBADRP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000569083425 484172228 /nfs/dbraw/zinc/17/22/28/484172228.db2.gz NCHRWLCEZXMGCA-ZIAGYGMSSA-N 2 0 366.466 0.450 20 0 FBADRP O=C(c1cc([C@H]2CC[NH2+]C2)n[nH]1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000569102582 485317296 /nfs/dbraw/zinc/31/72/96/485317296.db2.gz JRLWFDQATJNDOP-KBPBESRZSA-N 2 0 360.462 -0.229 20 0 FBADRP O=C(c1cc([C@@H]2CC[NH2+]C2)n[nH]1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000569102584 485317757 /nfs/dbraw/zinc/31/77/57/485317757.db2.gz JRLWFDQATJNDOP-KGLIPLIRSA-N 2 0 360.462 -0.229 20 0 FBADRP O=C(c1cc([C@H]2CC[NH2+]C2)n[nH]1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000569102587 485317476 /nfs/dbraw/zinc/31/74/76/485317476.db2.gz JRLWFDQATJNDOP-UONOGXRCSA-N 2 0 360.462 -0.229 20 0 FBADRP O=C(c1cc([C@@H]2CC[NH2+]C2)n[nH]1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000569102589 485317427 /nfs/dbraw/zinc/31/74/27/485317427.db2.gz JRLWFDQATJNDOP-ZIAGYGMSSA-N 2 0 360.462 -0.229 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cn(C)c(=O)n(C)c1=O ZINC000569172277 485320421 /nfs/dbraw/zinc/32/04/21/485320421.db2.gz JDFMKGPODFHHTA-INIZCTEOSA-N 2 0 351.495 -0.068 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cn(C)c(=O)n(C)c1=O ZINC000569172278 485320382 /nfs/dbraw/zinc/32/03/82/485320382.db2.gz JDFMKGPODFHHTA-MRXNPFEDSA-N 2 0 351.495 -0.068 20 0 FBADRP C[NH+](C)CCc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1 ZINC000569239454 485321572 /nfs/dbraw/zinc/32/15/72/485321572.db2.gz XDIOSUWURXDJFG-CVEARBPZSA-N 2 0 373.457 -0.500 20 0 FBADRP C[NH+](C)CCc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1 ZINC000569239456 485321224 /nfs/dbraw/zinc/32/12/24/485321224.db2.gz XDIOSUWURXDJFG-HOTGVXAUSA-N 2 0 373.457 -0.500 20 0 FBADRP C[NH+](C)CCc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1 ZINC000569239457 485321243 /nfs/dbraw/zinc/32/12/43/485321243.db2.gz XDIOSUWURXDJFG-HZPDHXFCSA-N 2 0 373.457 -0.500 20 0 FBADRP C[NH+](C)CCc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1 ZINC000569239458 485321601 /nfs/dbraw/zinc/32/16/01/485321601.db2.gz XDIOSUWURXDJFG-JKSUJKDBSA-N 2 0 373.457 -0.500 20 0 FBADRP COCC[NH2+]C1CCN(C(=O)C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)CC1 ZINC000569252886 485322771 /nfs/dbraw/zinc/32/27/71/485322771.db2.gz NSQIYFVWOJJBRX-GOSISDBHSA-N 2 0 352.479 -0.232 20 0 FBADRP COCC[NH2+]C1CCN(C(=O)C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)CC1 ZINC000569252889 485322466 /nfs/dbraw/zinc/32/24/66/485322466.db2.gz NSQIYFVWOJJBRX-SFHVURJKSA-N 2 0 352.479 -0.232 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCCC[NH2+]C(C)C)CC1 ZINC000569324110 485324918 /nfs/dbraw/zinc/32/49/18/485324918.db2.gz JQQSEDJVZCQVRO-UHFFFAOYSA-N 2 0 369.510 -0.497 20 0 FBADRP C[C@@H](NC(=O)c1cn(CCCC[NH3+])nn1)C(=O)NCC[NH+]1CCCCC1 ZINC000569338139 483704394 /nfs/dbraw/zinc/70/43/94/483704394.db2.gz CIGWAQCJRVCLEK-CQSZACIVSA-N 2 0 365.482 -0.263 20 0 FBADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CC(=O)NCCCN2CCCC2=O)CC1 ZINC000569341445 661733929 /nfs/dbraw/zinc/73/39/29/661733929.db2.gz YBCFUVJOYJVQJG-QAPCUYQASA-N 2 0 352.479 -0.057 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCN(CC(F)F)CC1 ZINC000569434097 483787615 /nfs/dbraw/zinc/78/76/15/483787615.db2.gz BEKYABBVSJLDNT-UHFFFAOYSA-N 2 0 363.453 -0.653 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC2CC[NH+](C)CC2)CC1 ZINC000569454198 483788688 /nfs/dbraw/zinc/78/86/88/483788688.db2.gz FNZUMRJVWIOEKA-UHFFFAOYSA-N 2 0 367.494 -0.791 20 0 FBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCNC(=O)c2c(F)cccc2F)CC1 ZINC000569475383 483793394 /nfs/dbraw/zinc/79/33/94/483793394.db2.gz FCQOKLGAQVBECW-CYBMUJFWSA-N 2 0 356.417 -0.108 20 0 FBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCNC(=O)c2c(F)cccc2F)CC1 ZINC000569475384 483793099 /nfs/dbraw/zinc/79/30/99/483793099.db2.gz FCQOKLGAQVBECW-ZDUSSCGKSA-N 2 0 356.417 -0.108 20 0 FBADRP O=C(C[C@H]1COCC[NH2+]1)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000569481782 483793614 /nfs/dbraw/zinc/79/36/14/483793614.db2.gz QHUTZKCZVXPFOF-INIZCTEOSA-N 2 0 362.478 -0.127 20 0 FBADRP O=C(C[C@@H]1COCC[NH2+]1)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000569481783 483793742 /nfs/dbraw/zinc/79/37/42/483793742.db2.gz QHUTZKCZVXPFOF-MRXNPFEDSA-N 2 0 362.478 -0.127 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)CCNC(=O)[C@@H]3CCC[NH2+]3)CC2)c1 ZINC000569481789 483793902 /nfs/dbraw/zinc/79/39/02/483793902.db2.gz QWISZXMHTYVCSL-HNNXBMFYSA-N 2 0 361.446 -0.003 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)CCNC(=O)[C@H]3CCC[NH2+]3)CC2)c1 ZINC000569481790 483793658 /nfs/dbraw/zinc/79/36/58/483793658.db2.gz QWISZXMHTYVCSL-OAHLLOKOSA-N 2 0 361.446 -0.003 20 0 FBADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]C[C@@H](O)CN2CCOCC2)c1 ZINC000569595449 483827119 /nfs/dbraw/zinc/82/71/19/483827119.db2.gz QJOCRKORCBUMGQ-GOSISDBHSA-N 2 0 364.490 -0.239 20 0 FBADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]C[C@H](O)CN2CCOCC2)c1 ZINC000569595450 483827102 /nfs/dbraw/zinc/82/71/02/483827102.db2.gz QJOCRKORCBUMGQ-SFHVURJKSA-N 2 0 364.490 -0.239 20 0 FBADRP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@H](C)[C@@H](C)N2CCOCC2)CC1 ZINC000569612967 483832205 /nfs/dbraw/zinc/83/22/05/483832205.db2.gz KRIOUJDEIHRNHI-HUUCEWRRSA-N 2 0 370.494 -0.561 20 0 FBADRP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@@H](C)[C@@H](C)N2CCOCC2)CC1 ZINC000569612969 483832085 /nfs/dbraw/zinc/83/20/85/483832085.db2.gz KRIOUJDEIHRNHI-LSDHHAIUSA-N 2 0 370.494 -0.561 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000569633275 483943724 /nfs/dbraw/zinc/94/37/24/483943724.db2.gz VZOGILOEWXTABX-CVEARBPZSA-N 3 0 353.511 -0.319 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000569633276 483944379 /nfs/dbraw/zinc/94/43/79/483944379.db2.gz VZOGILOEWXTABX-HOTGVXAUSA-N 3 0 353.511 -0.319 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000569633278 483943542 /nfs/dbraw/zinc/94/35/42/483943542.db2.gz VZOGILOEWXTABX-HZPDHXFCSA-N 3 0 353.511 -0.319 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000569633280 483944648 /nfs/dbraw/zinc/94/46/48/483944648.db2.gz VZOGILOEWXTABX-JKSUJKDBSA-N 3 0 353.511 -0.319 20 0 FBADRP Cn1nc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1C1CC1 ZINC000569652381 484089022 /nfs/dbraw/zinc/08/90/22/484089022.db2.gz BJQXIAUMJITVCK-UHFFFAOYSA-N 2 0 350.467 0.188 20 0 FBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[NH+](CC4CCOCC4)CC3)C[C@@H]21 ZINC000569685729 484094018 /nfs/dbraw/zinc/09/40/18/484094018.db2.gz YVARBUGVMBJTMK-SJORKVTESA-N 2 0 364.490 -0.280 20 0 FBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2CCCN(C(=O)N3CCCC3)C2)CC1 ZINC000569686724 484097848 /nfs/dbraw/zinc/09/78/48/484097848.db2.gz DKQBIOPJOJDZFI-DLBZAZTESA-N 2 0 353.511 -0.136 20 0 FBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CCCN(C(=O)N3CCCC3)C2)CC1 ZINC000569686729 484097669 /nfs/dbraw/zinc/09/76/69/484097669.db2.gz DKQBIOPJOJDZFI-IAGOWNOFSA-N 2 0 353.511 -0.136 20 0 FBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@H]2CCCN(C(=O)N3CCCC3)C2)CC1 ZINC000569686730 484097140 /nfs/dbraw/zinc/09/71/40/484097140.db2.gz DKQBIOPJOJDZFI-IRXDYDNUSA-N 2 0 353.511 -0.136 20 0 FBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H]2CCCN(C(=O)N3CCCC3)C2)CC1 ZINC000569686732 484096827 /nfs/dbraw/zinc/09/68/27/484096827.db2.gz DKQBIOPJOJDZFI-SJORKVTESA-N 2 0 353.511 -0.136 20 0 FBADRP CCC[C@H]1CN(C(=O)NCC(=O)N2CC[NH2+]CC2)CC[N@@H+]1CCOC ZINC000569698051 484108862 /nfs/dbraw/zinc/10/88/62/484108862.db2.gz PZGDDBBPUMYLLR-HNNXBMFYSA-N 2 0 355.483 -0.440 20 0 FBADRP CCC[C@@H]1CN(C(=O)NCC(=O)N2CC[NH2+]CC2)CC[N@@H+]1CCOC ZINC000569698052 484108666 /nfs/dbraw/zinc/10/86/66/484108666.db2.gz PZGDDBBPUMYLLR-OAHLLOKOSA-N 2 0 355.483 -0.440 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3C[C@H]4CC[NH2+]C[C@H]4C3)CC2)c1 ZINC000569713594 484131692 /nfs/dbraw/zinc/13/16/92/484131692.db2.gz WFEGGFYPLBDEBU-CABCVRRESA-N 2 0 373.457 -0.193 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3C[C@@H]4CC[NH2+]C[C@H]4C3)CC2)c1 ZINC000569713596 484131751 /nfs/dbraw/zinc/13/17/51/484131751.db2.gz WFEGGFYPLBDEBU-GJZGRUSLSA-N 2 0 373.457 -0.193 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3C[C@H]4C[NH2+]CC[C@@H]4C3)CC2)c1 ZINC000569713597 484131853 /nfs/dbraw/zinc/13/18/53/484131853.db2.gz WFEGGFYPLBDEBU-HUUCEWRRSA-N 2 0 373.457 -0.193 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3C[C@@H]4CC[NH2+]C[C@@H]4C3)CC2)c1 ZINC000569713599 484131612 /nfs/dbraw/zinc/13/16/12/484131612.db2.gz WFEGGFYPLBDEBU-LSDHHAIUSA-N 2 0 373.457 -0.193 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C1 ZINC000569744090 484136138 /nfs/dbraw/zinc/13/61/38/484136138.db2.gz GMLMZDKTAWDERC-KFWWJZLASA-N 2 0 353.467 -0.703 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C1 ZINC000569744099 484137016 /nfs/dbraw/zinc/13/70/16/484137016.db2.gz GMLMZDKTAWDERC-RBSFLKMASA-N 2 0 353.467 -0.703 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C1 ZINC000569744100 484137081 /nfs/dbraw/zinc/13/70/81/484137081.db2.gz GMLMZDKTAWDERC-RRFJBIMHSA-N 2 0 353.467 -0.703 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C1 ZINC000569744101 484136774 /nfs/dbraw/zinc/13/67/74/484136774.db2.gz GMLMZDKTAWDERC-ZNMIVQPWSA-N 2 0 353.467 -0.703 20 0 FBADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)NC[C@H]2C[NH+](C)CCN2C)C1 ZINC000569750902 484136651 /nfs/dbraw/zinc/13/66/51/484136651.db2.gz FCLWHTKHAPCHEF-BBWFWOEESA-N 2 0 367.538 -0.167 20 0 FBADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)C1 ZINC000569750904 484136958 /nfs/dbraw/zinc/13/69/58/484136958.db2.gz FCLWHTKHAPCHEF-BRWVUGGUSA-N 2 0 367.538 -0.167 20 0 FBADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)NC[C@@H]2C[NH+](C)CCN2C)C1 ZINC000569750905 484136800 /nfs/dbraw/zinc/13/68/00/484136800.db2.gz FCLWHTKHAPCHEF-IXDOHACOSA-N 2 0 367.538 -0.167 20 0 FBADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)C1 ZINC000569750906 484136389 /nfs/dbraw/zinc/13/63/89/484136389.db2.gz FCLWHTKHAPCHEF-ZACQAIPSSA-N 2 0 367.538 -0.167 20 0 FBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000569822546 484143313 /nfs/dbraw/zinc/14/33/13/484143313.db2.gz ZGJPXXKAIPDAEK-CHWSQXEVSA-N 2 0 359.421 -0.068 20 0 FBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000569822549 484143933 /nfs/dbraw/zinc/14/39/33/484143933.db2.gz ZGJPXXKAIPDAEK-OLZOCXBDSA-N 2 0 359.421 -0.068 20 0 FBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000569822551 484143822 /nfs/dbraw/zinc/14/38/22/484143822.db2.gz ZGJPXXKAIPDAEK-QWHCGFSZSA-N 2 0 359.421 -0.068 20 0 FBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000569822552 484143434 /nfs/dbraw/zinc/14/34/34/484143434.db2.gz ZGJPXXKAIPDAEK-STQMWFEESA-N 2 0 359.421 -0.068 20 0 FBADRP Cn1cc([C@@H]2CN(C(=O)CN3CCN(c4ccccn4)CC3)C[C@H]2[NH3+])cn1 ZINC000569843527 484146226 /nfs/dbraw/zinc/14/62/26/484146226.db2.gz FINQMRHCZIDXLC-DLBZAZTESA-N 2 0 369.473 -0.110 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000569918778 484149541 /nfs/dbraw/zinc/14/95/41/484149541.db2.gz RETBTEPLBKQUMU-UHFFFAOYSA-N 3 0 355.527 -0.073 20 0 FBADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)NC2C[NH2+]C2)CC1 ZINC000569949407 484151341 /nfs/dbraw/zinc/15/13/41/484151341.db2.gz OMBBBOWBCNOPFN-UHFFFAOYSA-N 2 0 359.474 -0.472 20 0 FBADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000569989825 484155841 /nfs/dbraw/zinc/15/58/41/484155841.db2.gz XWIQUKNZDMWULA-INIZCTEOSA-N 2 0 353.511 -0.366 20 0 FBADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000569989826 484155182 /nfs/dbraw/zinc/15/51/82/484155182.db2.gz XWIQUKNZDMWULA-MRXNPFEDSA-N 2 0 353.511 -0.366 20 0 FBADRP CC1CC[NH+](C[C@@H](O)CNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CC1 ZINC000570043144 484160318 /nfs/dbraw/zinc/16/03/18/484160318.db2.gz RMNUFZLJTUZRTA-CABCVRRESA-N 2 0 350.467 -0.147 20 0 FBADRP CC1CC[NH+](C[C@@H](O)CNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CC1 ZINC000570043147 484159979 /nfs/dbraw/zinc/15/99/79/484159979.db2.gz RMNUFZLJTUZRTA-GJZGRUSLSA-N 2 0 350.467 -0.147 20 0 FBADRP CC1CC[NH+](C[C@H](O)CNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CC1 ZINC000570043149 484159515 /nfs/dbraw/zinc/15/95/15/484159515.db2.gz RMNUFZLJTUZRTA-HUUCEWRRSA-N 2 0 350.467 -0.147 20 0 FBADRP CC1CC[NH+](C[C@H](O)CNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CC1 ZINC000570043150 484159433 /nfs/dbraw/zinc/15/94/33/484159433.db2.gz RMNUFZLJTUZRTA-LSDHHAIUSA-N 2 0 350.467 -0.147 20 0 FBADRP CC(C)C(=O)N1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000570054787 484160215 /nfs/dbraw/zinc/16/02/15/484160215.db2.gz NOIMTKFNAHZMML-UHFFFAOYSA-N 2 0 369.510 -0.735 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000570142239 484166225 /nfs/dbraw/zinc/16/62/25/484166225.db2.gz FMECZDFCWUBZIW-GOSISDBHSA-N 2 0 367.494 -0.933 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000570142244 484165683 /nfs/dbraw/zinc/16/56/83/484165683.db2.gz FMECZDFCWUBZIW-SFHVURJKSA-N 2 0 367.494 -0.933 20 0 FBADRP CN1CCN(C(=O)C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000570147702 484165967 /nfs/dbraw/zinc/16/59/67/484165967.db2.gz MMEHHCNQWLVQLT-MSOLQXFVSA-N 2 0 373.501 -0.132 20 0 FBADRP CN1CCN(C(=O)C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000570147703 484166256 /nfs/dbraw/zinc/16/62/56/484166256.db2.gz MMEHHCNQWLVQLT-QZTJIDSGSA-N 2 0 373.501 -0.132 20 0 FBADRP CN1CCN(C(=O)C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000570147704 484166605 /nfs/dbraw/zinc/16/66/05/484166605.db2.gz MMEHHCNQWLVQLT-ROUUACIJSA-N 2 0 373.501 -0.132 20 0 FBADRP CN1CCN(C(=O)C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000570147705 484166911 /nfs/dbraw/zinc/16/69/11/484166911.db2.gz MMEHHCNQWLVQLT-ZWKOTPCHSA-N 2 0 373.501 -0.132 20 0 FBADRP CN1CCN(C(=O)C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)[C@@H](C[NH3+])C1 ZINC000570147853 484167012 /nfs/dbraw/zinc/16/70/12/484167012.db2.gz YWQYFZBZTHKAGN-HNNXBMFYSA-N 2 0 365.453 -0.395 20 0 FBADRP CN1CCN(C(=O)C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)[C@H](C[NH3+])C1 ZINC000570147859 484166418 /nfs/dbraw/zinc/16/64/18/484166418.db2.gz YWQYFZBZTHKAGN-OAHLLOKOSA-N 2 0 365.453 -0.395 20 0 FBADRP COc1cccnc1CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000570153571 484168286 /nfs/dbraw/zinc/16/82/86/484168286.db2.gz PTWKUADZXKCCQT-UHFFFAOYSA-N 2 0 351.451 -0.342 20 0 FBADRP CC[NH+](CC)CCNC(=O)C(=O)NC1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000570178236 484169886 /nfs/dbraw/zinc/16/98/86/484169886.db2.gz ZCEAAXXONPBEML-UHFFFAOYSA-N 2 0 369.510 -0.449 20 0 FBADRP CN1CCN(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)[C@@H](C[NH3+])C1 ZINC000570188120 484169913 /nfs/dbraw/zinc/16/99/13/484169913.db2.gz ZHUXYZVUSPKESS-HNNXBMFYSA-N 2 0 350.467 -0.194 20 0 FBADRP CN1CCN(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)[C@H](C[NH3+])C1 ZINC000570188121 484169982 /nfs/dbraw/zinc/16/99/82/484169982.db2.gz ZHUXYZVUSPKESS-OAHLLOKOSA-N 2 0 350.467 -0.194 20 0 FBADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCCN1CCOCC1(C)C ZINC000570244378 484174039 /nfs/dbraw/zinc/17/40/39/484174039.db2.gz ODCNSRNYOIRLHH-DZGCQCFKSA-N 2 0 352.479 -0.188 20 0 FBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCCN1CCOCC1(C)C ZINC000570244379 484173899 /nfs/dbraw/zinc/17/38/99/484173899.db2.gz ODCNSRNYOIRLHH-HIFRSBDPSA-N 2 0 352.479 -0.188 20 0 FBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCCN1CCOCC1(C)C ZINC000570244380 484174401 /nfs/dbraw/zinc/17/44/01/484174401.db2.gz ODCNSRNYOIRLHH-UKRRQHHQSA-N 2 0 352.479 -0.188 20 0 FBADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCCN1CCOCC1(C)C ZINC000570244381 484174208 /nfs/dbraw/zinc/17/42/08/484174208.db2.gz ODCNSRNYOIRLHH-ZFWWWQNUSA-N 2 0 352.479 -0.188 20 0 FBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000570416853 484191905 /nfs/dbraw/zinc/19/19/05/484191905.db2.gz ODMIPDAZYQXBAI-HNNXBMFYSA-N 2 0 367.494 -0.839 20 0 FBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000570416856 484192294 /nfs/dbraw/zinc/19/22/94/484192294.db2.gz ODMIPDAZYQXBAI-OAHLLOKOSA-N 2 0 367.494 -0.839 20 0 FBADRP COC(=O)C[C@H]([NH3+])C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000570448186 484194962 /nfs/dbraw/zinc/19/49/62/484194962.db2.gz MNURDWKEEXKVML-ZDUSSCGKSA-N 2 0 363.418 -0.873 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@@H]2C[NH2+]CCN2C)CC1 ZINC000570501482 484200962 /nfs/dbraw/zinc/20/09/62/484200962.db2.gz JJKQCJPGUGGYJY-HNNXBMFYSA-N 2 0 354.499 -0.914 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@H]2C[NH2+]CCN2C)CC1 ZINC000570501483 484200990 /nfs/dbraw/zinc/20/09/90/484200990.db2.gz JJKQCJPGUGGYJY-OAHLLOKOSA-N 2 0 354.499 -0.914 20 0 FBADRP COCC[NH2+]C1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)CC1 ZINC000570523482 484202192 /nfs/dbraw/zinc/20/21/92/484202192.db2.gz VCYIOUJLNUIWMO-INIZCTEOSA-N 2 0 350.463 -0.314 20 0 FBADRP COCC[NH2+]C1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)CC1 ZINC000570523483 484201563 /nfs/dbraw/zinc/20/15/63/484201563.db2.gz VCYIOUJLNUIWMO-MRXNPFEDSA-N 2 0 350.463 -0.314 20 0 FBADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000570546208 484206035 /nfs/dbraw/zinc/20/60/35/484206035.db2.gz BFSXBAFULNOLGX-DJIMGWMZSA-N 2 0 364.490 -0.167 20 0 FBADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000570546209 484206009 /nfs/dbraw/zinc/20/60/09/484206009.db2.gz BFSXBAFULNOLGX-OIISXLGYSA-N 2 0 364.490 -0.167 20 0 FBADRP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000570546210 484205830 /nfs/dbraw/zinc/20/58/30/484205830.db2.gz BFSXBAFULNOLGX-UAGQMJEPSA-N 2 0 364.490 -0.167 20 0 FBADRP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000570546211 484205756 /nfs/dbraw/zinc/20/57/56/484205756.db2.gz BFSXBAFULNOLGX-USXIJHARSA-N 2 0 364.490 -0.167 20 0 FBADRP CC(C)c1nccn1CCC(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000570573011 484207723 /nfs/dbraw/zinc/20/77/23/484207723.db2.gz JPAJISYTLRPMBX-UHFFFAOYSA-N 2 0 369.491 -0.158 20 0 FBADRP C[NH+]1CCN(Cc2cccc(C(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)c2)CC1 ZINC000570582974 484210357 /nfs/dbraw/zinc/21/03/57/484210357.db2.gz PSHSIGXPXLMECP-MSOLQXFVSA-N 2 0 371.485 -0.182 20 0 FBADRP C[NH+]1CCN(Cc2cccc(C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)c2)CC1 ZINC000570582975 484210842 /nfs/dbraw/zinc/21/08/42/484210842.db2.gz PSHSIGXPXLMECP-QZTJIDSGSA-N 2 0 371.485 -0.182 20 0 FBADRP C[NH+]1CCN(Cc2cccc(C(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)c2)CC1 ZINC000570582976 484209995 /nfs/dbraw/zinc/20/99/95/484209995.db2.gz PSHSIGXPXLMECP-ROUUACIJSA-N 2 0 371.485 -0.182 20 0 FBADRP C[NH+]1CCN(Cc2cccc(C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)c2)CC1 ZINC000570582977 484210892 /nfs/dbraw/zinc/21/08/92/484210892.db2.gz PSHSIGXPXLMECP-ZWKOTPCHSA-N 2 0 371.485 -0.182 20 0 FBADRP C[NH+](C)Cc1cccc(CNC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1 ZINC000570583986 484210336 /nfs/dbraw/zinc/21/03/36/484210336.db2.gz PMADIOUKBPPGAB-CVEARBPZSA-N 2 0 373.457 -0.865 20 0 FBADRP C[NH+](C)Cc1cccc(CNC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1 ZINC000570583987 484210214 /nfs/dbraw/zinc/21/02/14/484210214.db2.gz PMADIOUKBPPGAB-HOTGVXAUSA-N 2 0 373.457 -0.865 20 0 FBADRP C[NH+](C)Cc1cccc(CNC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1 ZINC000570583988 484211080 /nfs/dbraw/zinc/21/10/80/484211080.db2.gz PMADIOUKBPPGAB-HZPDHXFCSA-N 2 0 373.457 -0.865 20 0 FBADRP C[NH+](C)Cc1cccc(CNC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1 ZINC000570583989 484210910 /nfs/dbraw/zinc/21/09/10/484210910.db2.gz PMADIOUKBPPGAB-JKSUJKDBSA-N 2 0 373.457 -0.865 20 0 FBADRP CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+](C)CCCN(C)CC[NH+](C)C)C1 ZINC000570601807 484214403 /nfs/dbraw/zinc/21/44/03/484214403.db2.gz ZXDUKFGAOCHWPC-KRWDZBQOSA-N 2 0 355.527 -0.071 20 0 FBADRP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+](C)CCCN(C)CC[NH+](C)C)C1 ZINC000570601808 484213719 /nfs/dbraw/zinc/21/37/19/484213719.db2.gz ZXDUKFGAOCHWPC-QGZVFWFLSA-N 2 0 355.527 -0.071 20 0 FBADRP O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000570618707 484215264 /nfs/dbraw/zinc/21/52/64/484215264.db2.gz JZTMZKIZIZCEAK-CHWSQXEVSA-N 2 0 359.421 -0.163 20 0 FBADRP O=C(N[C@H]1C[NH2+]CCC1(F)F)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000570618708 484215472 /nfs/dbraw/zinc/21/54/72/484215472.db2.gz JZTMZKIZIZCEAK-OLZOCXBDSA-N 2 0 359.421 -0.163 20 0 FBADRP O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000570618709 484215150 /nfs/dbraw/zinc/21/51/50/484215150.db2.gz JZTMZKIZIZCEAK-QWHCGFSZSA-N 2 0 359.421 -0.163 20 0 FBADRP O=C(N[C@H]1C[NH2+]CCC1(F)F)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000570618710 484215660 /nfs/dbraw/zinc/21/56/60/484215660.db2.gz JZTMZKIZIZCEAK-STQMWFEESA-N 2 0 359.421 -0.163 20 0 FBADRP CN1CCN(C(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)[C@@H](C[NH3+])C1 ZINC000570624580 484216489 /nfs/dbraw/zinc/21/64/89/484216489.db2.gz HRZLKAQKXXOITI-INIZCTEOSA-N 2 0 351.495 -0.435 20 0 FBADRP CN1CCN(C(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)[C@H](C[NH3+])C1 ZINC000570624581 484216397 /nfs/dbraw/zinc/21/63/97/484216397.db2.gz HRZLKAQKXXOITI-MRXNPFEDSA-N 2 0 351.495 -0.435 20 0 FBADRP C[C@@H]1CN(C[C@H](O)C[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)C[C@H](C)O1 ZINC000570625996 484216586 /nfs/dbraw/zinc/21/65/86/484216586.db2.gz UPSNOYCKMPXIFX-VVLHAWIVSA-N 2 0 356.511 -0.367 20 0 FBADRP C[C@@H]1CN(C[C@H](O)C[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C[C@H](C)O1 ZINC000570625998 484216874 /nfs/dbraw/zinc/21/68/74/484216874.db2.gz UPSNOYCKMPXIFX-YYIAUSFCSA-N 2 0 356.511 -0.367 20 0 FBADRP CCNS(=O)(=O)c1cccc(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)c1 ZINC000570626383 484217279 /nfs/dbraw/zinc/21/72/79/484217279.db2.gz LATCGFYYHOYFRD-INIZCTEOSA-N 2 0 370.519 -0.317 20 0 FBADRP CCNS(=O)(=O)c1cccc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)c1 ZINC000570626384 484217393 /nfs/dbraw/zinc/21/73/93/484217393.db2.gz LATCGFYYHOYFRD-MRXNPFEDSA-N 2 0 370.519 -0.317 20 0 FBADRP [NH3+]CCCCn1cc(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)nn1 ZINC000570629770 484218135 /nfs/dbraw/zinc/21/81/35/484218135.db2.gz WGOWDAWPWIMYSM-UHFFFAOYSA-N 2 0 363.466 -0.603 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCc3ccccc3[C@H]2C[NH3+])C1 ZINC000570632405 484216546 /nfs/dbraw/zinc/21/65/46/484216546.db2.gz MZEYVRWFNYBTJZ-DOTOQJQBSA-N 2 0 360.458 -0.092 20 0 FBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCc3ccccc3[C@H]2C[NH3+])C1 ZINC000570632406 484218264 /nfs/dbraw/zinc/21/82/64/484218264.db2.gz MZEYVRWFNYBTJZ-NVXWUHKLSA-N 2 0 360.458 -0.092 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])C1 ZINC000570632407 484218217 /nfs/dbraw/zinc/21/82/17/484218217.db2.gz MZEYVRWFNYBTJZ-RDJZCZTQSA-N 2 0 360.458 -0.092 20 0 FBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])C1 ZINC000570632408 484218531 /nfs/dbraw/zinc/21/85/31/484218531.db2.gz MZEYVRWFNYBTJZ-WBVHZDCISA-N 2 0 360.458 -0.092 20 0 FBADRP CN1CC[NH+](CC2(C)CCN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)CC2)CC1 ZINC000570644461 484220010 /nfs/dbraw/zinc/22/00/10/484220010.db2.gz CGVDNMUWQDCDOH-HNNXBMFYSA-N 2 0 351.495 -0.659 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC(=O)N2CCCC[C@@H]12 ZINC000570646407 484219438 /nfs/dbraw/zinc/21/94/38/484219438.db2.gz VSOVZVOGDHOOAV-CABCVRRESA-N 2 0 367.494 -0.792 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CC(=O)N2CCCC[C@@H]12 ZINC000570646433 484220496 /nfs/dbraw/zinc/22/04/96/484220496.db2.gz VSOVZVOGDHOOAV-GJZGRUSLSA-N 2 0 367.494 -0.792 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC(=O)N2CCCC[C@H]12 ZINC000570646436 484219492 /nfs/dbraw/zinc/21/94/92/484219492.db2.gz VSOVZVOGDHOOAV-HUUCEWRRSA-N 2 0 367.494 -0.792 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CC(=O)N2CCCC[C@H]12 ZINC000570646441 484220324 /nfs/dbraw/zinc/22/03/24/484220324.db2.gz VSOVZVOGDHOOAV-LSDHHAIUSA-N 2 0 367.494 -0.792 20 0 FBADRP O=C(NCC(=O)N1CC[NH2+]CC1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000570813802 484246110 /nfs/dbraw/zinc/24/61/10/484246110.db2.gz ZRLGILAROPADAY-UHFFFAOYSA-N 2 0 367.494 -0.248 20 0 FBADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000570818842 484246524 /nfs/dbraw/zinc/24/65/24/484246524.db2.gz GVNSXIKTZDUVRD-BZUAXINKSA-N 2 0 353.511 -0.428 20 0 FBADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000570818845 484246488 /nfs/dbraw/zinc/24/64/88/484246488.db2.gz GVNSXIKTZDUVRD-OAGGEKHMSA-N 2 0 353.511 -0.428 20 0 FBADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000570818847 484244843 /nfs/dbraw/zinc/24/48/43/484244843.db2.gz GVNSXIKTZDUVRD-OWCLPIDISA-N 2 0 353.511 -0.428 20 0 FBADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000570818848 484244958 /nfs/dbraw/zinc/24/49/58/484244958.db2.gz GVNSXIKTZDUVRD-XHSDSOJGSA-N 2 0 353.511 -0.428 20 0 FBADRP CN1CC[N@H+](CCCNC(=O)C(=O)NC2C[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000570819139 484245674 /nfs/dbraw/zinc/24/56/74/484245674.db2.gz RHOISEGLWDLCTD-KRWDZBQOSA-N 2 0 359.474 -0.431 20 0 FBADRP CN1CC[N@H+](CCCNC(=O)C(=O)NC2C[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000570819140 484246314 /nfs/dbraw/zinc/24/63/14/484246314.db2.gz RHOISEGLWDLCTD-QGZVFWFLSA-N 2 0 359.474 -0.431 20 0 FBADRP [NH3+][C@H]1C[C@@H]2CN(C(=O)CC[NH+]3CCN(c4ccccc4)CC3)CCN2C1=O ZINC000570866956 484253060 /nfs/dbraw/zinc/25/30/60/484253060.db2.gz HKMUKLSCGRSQHD-MSOLQXFVSA-N 2 0 371.485 -0.031 20 0 FBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)CC[NH+]3CCN(c4ccccc4)CC3)CCN2C1=O ZINC000570866958 484252153 /nfs/dbraw/zinc/25/21/53/484252153.db2.gz HKMUKLSCGRSQHD-QZTJIDSGSA-N 2 0 371.485 -0.031 20 0 FBADRP [NH3+][C@H]1C[C@H]2CN(C(=O)CC[NH+]3CCN(c4ccccc4)CC3)CCN2C1=O ZINC000570866960 484253291 /nfs/dbraw/zinc/25/32/91/484253291.db2.gz HKMUKLSCGRSQHD-ROUUACIJSA-N 2 0 371.485 -0.031 20 0 FBADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)CC[NH+]3CCN(c4ccccc4)CC3)CCN2C1=O ZINC000570866963 484252221 /nfs/dbraw/zinc/25/22/21/484252221.db2.gz HKMUKLSCGRSQHD-ZWKOTPCHSA-N 2 0 371.485 -0.031 20 0 FBADRP C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000570906216 484258600 /nfs/dbraw/zinc/25/86/00/484258600.db2.gz QOXWBOHUVMIPNE-QLFBSQMISA-N 2 0 352.479 -0.548 20 0 FBADRP C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000570906217 484258000 /nfs/dbraw/zinc/25/80/00/484258000.db2.gz QOXWBOHUVMIPNE-SOUVJXGZSA-N 2 0 352.479 -0.548 20 0 FBADRP C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000570919180 484257811 /nfs/dbraw/zinc/25/78/11/484257811.db2.gz GAQVSQCAFCFIAS-KFWWJZLASA-N 2 0 352.479 -0.357 20 0 FBADRP C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000570919181 484257271 /nfs/dbraw/zinc/25/72/71/484257271.db2.gz GAQVSQCAFCFIAS-SOUVJXGZSA-N 2 0 352.479 -0.357 20 0 FBADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000570943795 484294363 /nfs/dbraw/zinc/29/43/63/484294363.db2.gz BGQYTDMGQRLGRT-CABCVRRESA-N 2 0 353.511 -0.286 20 0 FBADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000570943796 484294321 /nfs/dbraw/zinc/29/43/21/484294321.db2.gz BGQYTDMGQRLGRT-GJZGRUSLSA-N 2 0 353.511 -0.286 20 0 FBADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000570943797 484292964 /nfs/dbraw/zinc/29/29/64/484292964.db2.gz BGQYTDMGQRLGRT-HUUCEWRRSA-N 2 0 353.511 -0.286 20 0 FBADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000570943798 484293965 /nfs/dbraw/zinc/29/39/65/484293965.db2.gz BGQYTDMGQRLGRT-LSDHHAIUSA-N 2 0 353.511 -0.286 20 0 FBADRP CC(C)[NH2+]CCCNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000571031764 483923461 /nfs/dbraw/zinc/92/34/61/483923461.db2.gz YWFQRYOENNSLNC-UHFFFAOYSA-N 2 0 367.494 -0.743 20 0 FBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000571087715 484189732 /nfs/dbraw/zinc/18/97/32/484189732.db2.gz FSYREISRSMATTG-ARFHVFGLSA-N 2 0 353.511 -0.143 20 0 FBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000571087716 484189098 /nfs/dbraw/zinc/18/90/98/484189098.db2.gz FSYREISRSMATTG-HRCADAONSA-N 2 0 353.511 -0.143 20 0 FBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000571087717 484188764 /nfs/dbraw/zinc/18/87/64/484188764.db2.gz FSYREISRSMATTG-JYJNAYRXSA-N 2 0 353.511 -0.143 20 0 FBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000571087718 484189703 /nfs/dbraw/zinc/18/97/03/484189703.db2.gz FSYREISRSMATTG-XHSDSOJGSA-N 2 0 353.511 -0.143 20 0 FBADRP C[N@H+](CCNC(=O)NCC(=O)N1CC[NH2+]CC1)Cc1ccc(F)cc1 ZINC000571268426 484206921 /nfs/dbraw/zinc/20/69/21/484206921.db2.gz JECMBYRPOPCSFQ-UHFFFAOYSA-N 2 0 351.426 -0.012 20 0 FBADRP O=C(C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000571275522 484209565 /nfs/dbraw/zinc/20/95/65/484209565.db2.gz FYPOARSADYOYGI-DLBZAZTESA-N 2 0 363.506 -0.421 20 0 FBADRP O=C(C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000571275523 484208705 /nfs/dbraw/zinc/20/87/05/484208705.db2.gz FYPOARSADYOYGI-IAGOWNOFSA-N 2 0 363.506 -0.421 20 0 FBADRP O=C(C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000571275524 484209551 /nfs/dbraw/zinc/20/95/51/484209551.db2.gz FYPOARSADYOYGI-IRXDYDNUSA-N 2 0 363.506 -0.421 20 0 FBADRP O=C(C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000571275525 484208686 /nfs/dbraw/zinc/20/86/86/484208686.db2.gz FYPOARSADYOYGI-SJORKVTESA-N 2 0 363.506 -0.421 20 0 FBADRP C[C@@H](c1cccnc1)N1CCN(C(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000571304119 484225655 /nfs/dbraw/zinc/22/56/55/484225655.db2.gz ZMGXLJUXHRSRPQ-HNNXBMFYSA-N 2 0 360.462 -0.098 20 0 FBADRP C[C@H](c1cccnc1)N1CCN(C(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000571304120 484224682 /nfs/dbraw/zinc/22/46/82/484224682.db2.gz ZMGXLJUXHRSRPQ-OAHLLOKOSA-N 2 0 360.462 -0.098 20 0 FBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)NCCCCn2ccnc2)CC1(C)C ZINC000571305250 484225672 /nfs/dbraw/zinc/22/56/72/484225672.db2.gz JFWARSPHSOACGX-UHFFFAOYSA-N 2 0 364.494 -0.078 20 0 FBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000571306995 484225514 /nfs/dbraw/zinc/22/55/14/484225514.db2.gz IORMWNYJCOXMQH-INIZCTEOSA-N 2 0 355.527 -0.071 20 0 FBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000571306997 484225854 /nfs/dbraw/zinc/22/58/54/484225854.db2.gz IORMWNYJCOXMQH-MRXNPFEDSA-N 2 0 355.527 -0.071 20 0 FBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)CC1 ZINC000571312890 484227300 /nfs/dbraw/zinc/22/73/00/484227300.db2.gz KRCMCZHLZQXYIP-DLBZAZTESA-N 2 0 365.522 -0.188 20 0 FBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N2CCC[C@H](C[NH3+])C2)CC1 ZINC000571312892 484227438 /nfs/dbraw/zinc/22/74/38/484227438.db2.gz KRCMCZHLZQXYIP-IAGOWNOFSA-N 2 0 365.522 -0.188 20 0 FBADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)CC1 ZINC000571312894 484227018 /nfs/dbraw/zinc/22/70/18/484227018.db2.gz KRCMCZHLZQXYIP-IRXDYDNUSA-N 2 0 365.522 -0.188 20 0 FBADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N2CCC[C@H](C[NH3+])C2)CC1 ZINC000571312896 484227219 /nfs/dbraw/zinc/22/72/19/484227219.db2.gz KRCMCZHLZQXYIP-SJORKVTESA-N 2 0 365.522 -0.188 20 0 FBADRP CCOC(=O)C1CCN(C(=O)C[N@H+](C)CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000571325695 484230231 /nfs/dbraw/zinc/23/02/31/484230231.db2.gz QOMTTYPBWRIZFK-UHFFFAOYSA-N 2 0 368.478 -0.458 20 0 FBADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000571388525 484246967 /nfs/dbraw/zinc/24/69/67/484246967.db2.gz LDOGCNMSECBCIZ-CVEARBPZSA-N 2 0 353.511 -0.284 20 0 FBADRP C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000571388533 484247886 /nfs/dbraw/zinc/24/78/86/484247886.db2.gz LDOGCNMSECBCIZ-HOTGVXAUSA-N 2 0 353.511 -0.284 20 0 FBADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000571388534 484248590 /nfs/dbraw/zinc/24/85/90/484248590.db2.gz LDOGCNMSECBCIZ-HZPDHXFCSA-N 2 0 353.511 -0.284 20 0 FBADRP C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000571388536 484247261 /nfs/dbraw/zinc/24/72/61/484247261.db2.gz LDOGCNMSECBCIZ-JKSUJKDBSA-N 2 0 353.511 -0.284 20 0 FBADRP CN(Cc1cnn(C)c1)C(=O)C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000571408145 484251053 /nfs/dbraw/zinc/25/10/53/484251053.db2.gz RUFNBOVGLYJUOP-INIZCTEOSA-N 2 0 362.478 -0.478 20 0 FBADRP CN(Cc1cnn(C)c1)C(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000571408146 484251591 /nfs/dbraw/zinc/25/15/91/484251591.db2.gz RUFNBOVGLYJUOP-MRXNPFEDSA-N 2 0 362.478 -0.478 20 0 FBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000571468505 484257578 /nfs/dbraw/zinc/25/75/78/484257578.db2.gz WNWBOHGSAPEVIZ-HZPDHXFCSA-N 2 0 355.527 -0.167 20 0 FBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000571468506 484257619 /nfs/dbraw/zinc/25/76/19/484257619.db2.gz WNWBOHGSAPEVIZ-JKSUJKDBSA-N 2 0 355.527 -0.167 20 0 FBADRP Cn1ccnc1[C@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000571501004 484263981 /nfs/dbraw/zinc/26/39/81/484263981.db2.gz ZUKZKVYDTFHVPC-HNNXBMFYSA-N 2 0 364.494 -0.312 20 0 FBADRP Cn1ccnc1[C@@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000571501005 484264430 /nfs/dbraw/zinc/26/44/30/484264430.db2.gz ZUKZKVYDTFHVPC-OAHLLOKOSA-N 2 0 364.494 -0.312 20 0 FBADRP CC(=O)N[C@H]1CCCN(C(=O)C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)C1 ZINC000571521943 484274256 /nfs/dbraw/zinc/27/42/56/484274256.db2.gz HEFUMBFMTCSLKM-JZXOWHBKSA-N 2 0 352.479 -0.058 20 0 FBADRP CC(=O)N[C@@H]1CCCN(C(=O)C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)C1 ZINC000571521944 484274282 /nfs/dbraw/zinc/27/42/82/484274282.db2.gz HEFUMBFMTCSLKM-NUJGCVRESA-N 2 0 352.479 -0.058 20 0 FBADRP COC(=O)c1cn([C@@H]2CCC[N@H+](CCC(=O)N3CC[NH2+]CC3)C2)nn1 ZINC000571521954 484273697 /nfs/dbraw/zinc/27/36/97/484273697.db2.gz JDFMITNUNWSGEQ-CYBMUJFWSA-N 2 0 350.423 -0.477 20 0 FBADRP COC(=O)c1cn([C@H]2CCC[N@H+](CCC(=O)N3CC[NH2+]CC3)C2)nn1 ZINC000571521955 484274096 /nfs/dbraw/zinc/27/40/96/484274096.db2.gz JDFMITNUNWSGEQ-ZDUSSCGKSA-N 2 0 350.423 -0.477 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)C[C@H](C)[NH2+]1 ZINC000571539969 484275618 /nfs/dbraw/zinc/27/56/18/484275618.db2.gz OQFFHRDVDGJMCM-GASCZTMLSA-N 2 0 352.479 -0.044 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)C[C@H](C)[NH2+]1 ZINC000571539973 484274913 /nfs/dbraw/zinc/27/49/13/484274913.db2.gz OQFFHRDVDGJMCM-GJZGRUSLSA-N 2 0 352.479 -0.044 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)C[C@@H](C)[NH2+]1 ZINC000571539974 484275382 /nfs/dbraw/zinc/27/53/82/484275382.db2.gz OQFFHRDVDGJMCM-HUUCEWRRSA-N 2 0 352.479 -0.044 20 0 FBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+]2CCCC[C@H]12 ZINC000571543602 484276069 /nfs/dbraw/zinc/27/60/69/484276069.db2.gz PQHJBCTYWQACSH-BZUAXINKSA-N 2 0 352.479 -0.044 20 0 FBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+]2CCCC[C@@H]12 ZINC000571543603 484275023 /nfs/dbraw/zinc/27/50/23/484275023.db2.gz PQHJBCTYWQACSH-OAGGEKHMSA-N 2 0 352.479 -0.044 20 0 FBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH+]2CCCC[C@H]12 ZINC000571543604 484276169 /nfs/dbraw/zinc/27/61/69/484276169.db2.gz PQHJBCTYWQACSH-OWCLPIDISA-N 2 0 352.479 -0.044 20 0 FBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH+]2CCCC[C@@H]12 ZINC000571543605 484275231 /nfs/dbraw/zinc/27/52/31/484275231.db2.gz PQHJBCTYWQACSH-PMPSAXMXSA-N 2 0 352.479 -0.044 20 0 FBADRP COCC[NH2+]C1CCN(C(=O)C(=O)NCC[N@H+]2CC=C(C)CC2)CC1 ZINC000571570661 484276915 /nfs/dbraw/zinc/27/69/15/484276915.db2.gz CWDCHKCUSWOKRH-UHFFFAOYSA-N 2 0 352.479 -0.018 20 0 FBADRP COCC[NH2+]C1CCN(C(=O)C(=O)N2CCN(C3CCC3)CC2)CC1 ZINC000571571273 484277049 /nfs/dbraw/zinc/27/70/49/484277049.db2.gz MCUDLBVIDYZFJB-UHFFFAOYSA-N 2 0 352.479 -0.090 20 0 FBADRP CN1CCN(C(=O)C(=O)N2CCC([NH+]3CCCCC3)CC2)[C@@H](C[NH3+])C1 ZINC000571633270 484297224 /nfs/dbraw/zinc/29/72/24/484297224.db2.gz ZOJVTUBSBTUUGC-INIZCTEOSA-N 2 0 351.495 -0.435 20 0 FBADRP CN1CCN(C(=O)C(=O)N2CCC([NH+]3CCCCC3)CC2)[C@H](C[NH3+])C1 ZINC000571633274 484297794 /nfs/dbraw/zinc/29/77/94/484297794.db2.gz ZOJVTUBSBTUUGC-MRXNPFEDSA-N 2 0 351.495 -0.435 20 0 FBADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000571866378 484903621 /nfs/dbraw/zinc/90/36/21/484903621.db2.gz HVDHZZWAWNEPTH-HNNXBMFYSA-N 2 0 367.494 -0.695 20 0 FBADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000571866379 484903831 /nfs/dbraw/zinc/90/38/31/484903831.db2.gz HVDHZZWAWNEPTH-OAHLLOKOSA-N 2 0 367.494 -0.695 20 0 FBADRP CCOC(=O)[C@@H]1CCCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000571884765 484905450 /nfs/dbraw/zinc/90/54/50/484905450.db2.gz GGZDVSRTXQDUQG-OAHLLOKOSA-N 2 0 370.494 -0.260 20 0 FBADRP CC1CCC([NH+]2CCN(C(=O)C(=O)N3CCN(C)C[C@@H]3C[NH3+])CC2)CC1 ZINC000571908633 484905249 /nfs/dbraw/zinc/90/52/49/484905249.db2.gz MCKJYEXMEJHBCS-JCYILVPMSA-N 2 0 365.522 -0.189 20 0 FBADRP CC1CCC([NH+]2CCN(C(=O)C(=O)N3CCN(C)C[C@H]3C[NH3+])CC2)CC1 ZINC000571908634 484905600 /nfs/dbraw/zinc/90/56/00/484905600.db2.gz MCKJYEXMEJHBCS-OFLPRAFFSA-N 2 0 365.522 -0.189 20 0 FBADRP Cc1noc(C)c1S(=O)(=O)N1CCCN(CCN2CC[NH2+]CC2)CC1 ZINC000571923212 484906344 /nfs/dbraw/zinc/90/63/44/484906344.db2.gz QKLCCLJFVJFTEE-UHFFFAOYSA-N 2 0 371.507 -0.107 20 0 FBADRP COC(=O)C1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000571978343 484910116 /nfs/dbraw/zinc/91/01/16/484910116.db2.gz YVSBVOJBVYDBII-UHFFFAOYSA-N 2 0 356.467 -0.650 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC000572006885 484912538 /nfs/dbraw/zinc/91/25/38/484912538.db2.gz MJPHACWPIWQBCQ-CVEARBPZSA-N 2 0 354.495 -0.083 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC000572006886 484911809 /nfs/dbraw/zinc/91/18/09/484911809.db2.gz MJPHACWPIWQBCQ-HOTGVXAUSA-N 2 0 354.495 -0.083 20 0 FBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC000572006887 484912577 /nfs/dbraw/zinc/91/25/77/484912577.db2.gz MJPHACWPIWQBCQ-HZPDHXFCSA-N 2 0 354.495 -0.083 20 0 FBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC000572006888 484912447 /nfs/dbraw/zinc/91/24/47/484912447.db2.gz MJPHACWPIWQBCQ-JKSUJKDBSA-N 2 0 354.495 -0.083 20 0 FBADRP CC[NH2+]CCCNC(=O)C(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000572017783 484912659 /nfs/dbraw/zinc/91/26/59/484912659.db2.gz NJJMDEXPKDEDGD-UHFFFAOYSA-N 2 0 355.483 -0.885 20 0 FBADRP C[NH+](C)CCCC1CCN(C(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000572105769 484918717 /nfs/dbraw/zinc/91/87/17/484918717.db2.gz WMPLAPDFJJRUQV-UHFFFAOYSA-N 2 0 367.494 -0.885 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000572111823 484918231 /nfs/dbraw/zinc/91/82/31/484918231.db2.gz XAFZOHOTUVPHBN-UHFFFAOYSA-N 3 0 367.538 -0.070 20 0 FBADRP C[C@@H](NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC[NH+]1CCCCC1 ZINC000572117318 484918415 /nfs/dbraw/zinc/91/84/15/484918415.db2.gz BPXAYKOWBMQBQO-CABCVRRESA-N 2 0 367.494 -0.649 20 0 FBADRP C[C@@H](NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)C(=O)NCC[NH+]1CCCCC1 ZINC000572117319 484918673 /nfs/dbraw/zinc/91/86/73/484918673.db2.gz BPXAYKOWBMQBQO-HUUCEWRRSA-N 2 0 367.494 -0.649 20 0 FBADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000572121420 484918307 /nfs/dbraw/zinc/91/83/07/484918307.db2.gz UPCIYIHRBLUKJW-AWEZNQCLSA-N 2 0 358.512 -0.757 20 0 FBADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC[C@H]1C[NH2+]CCN1C ZINC000572121421 484918542 /nfs/dbraw/zinc/91/85/42/484918542.db2.gz UPCIYIHRBLUKJW-CQSZACIVSA-N 2 0 358.512 -0.757 20 0 FBADRP C[C@H]1CC2(C[N@@H+]1CC(=O)N1CCN(CC(=O)N(C)C)CC1)CC[NH2+]CC2 ZINC000572124364 484919480 /nfs/dbraw/zinc/91/94/80/484919480.db2.gz SMPHXEMCVDLCKL-INIZCTEOSA-N 2 0 365.522 -0.317 20 0 FBADRP C[C@@H]1CC2(C[N@@H+]1CC(=O)N1CCN(CC(=O)N(C)C)CC1)CC[NH2+]CC2 ZINC000572124365 484920204 /nfs/dbraw/zinc/92/02/04/484920204.db2.gz SMPHXEMCVDLCKL-MRXNPFEDSA-N 2 0 365.522 -0.317 20 0 FBADRP COc1ccccc1N1CC[C@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C1=O ZINC000572148806 484920019 /nfs/dbraw/zinc/92/00/19/484920019.db2.gz CPZVPZOZFIHKSB-CVEARBPZSA-N 2 0 362.474 -0.002 20 0 FBADRP COc1ccccc1N1CC[C@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)C1=O ZINC000572148807 484920189 /nfs/dbraw/zinc/92/01/89/484920189.db2.gz CPZVPZOZFIHKSB-HOTGVXAUSA-N 2 0 362.474 -0.002 20 0 FBADRP COc1ccccc1N1CC[C@@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C1=O ZINC000572148808 484919728 /nfs/dbraw/zinc/91/97/28/484919728.db2.gz CPZVPZOZFIHKSB-HZPDHXFCSA-N 2 0 362.474 -0.002 20 0 FBADRP COc1ccccc1N1CC[C@@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)C1=O ZINC000572148809 484919394 /nfs/dbraw/zinc/91/93/94/484919394.db2.gz CPZVPZOZFIHKSB-JKSUJKDBSA-N 2 0 362.474 -0.002 20 0 FBADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000572154196 484921588 /nfs/dbraw/zinc/92/15/88/484921588.db2.gz GZNDMNXUSGHVDO-CVEARBPZSA-N 2 0 351.495 -0.519 20 0 FBADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000572154197 484920834 /nfs/dbraw/zinc/92/08/34/484920834.db2.gz GZNDMNXUSGHVDO-HOTGVXAUSA-N 2 0 351.495 -0.519 20 0 FBADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000572154198 484921798 /nfs/dbraw/zinc/92/17/98/484921798.db2.gz GZNDMNXUSGHVDO-HZPDHXFCSA-N 2 0 351.495 -0.519 20 0 FBADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000572154199 484921447 /nfs/dbraw/zinc/92/14/47/484921447.db2.gz GZNDMNXUSGHVDO-JKSUJKDBSA-N 2 0 351.495 -0.519 20 0 FBADRP [NH3+]C1(CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC[NH+](Cc2ccccc2)CC1 ZINC000572156540 484921853 /nfs/dbraw/zinc/92/18/53/484921853.db2.gz PXLYQHOWDYJWBK-KRWDZBQOSA-N 3 0 373.501 -0.036 20 0 FBADRP [NH3+]C1(CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC[NH+](Cc2ccccc2)CC1 ZINC000572156541 484921048 /nfs/dbraw/zinc/92/10/48/484921048.db2.gz PXLYQHOWDYJWBK-QGZVFWFLSA-N 3 0 373.501 -0.036 20 0 FBADRP C[N@H+](CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C1CC1 ZINC000572157545 484921767 /nfs/dbraw/zinc/92/17/67/484921767.db2.gz ANAZNGAJUXHEIB-CVEARBPZSA-N 2 0 352.479 -0.309 20 0 FBADRP C[N@H+](CCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)C1CC1 ZINC000572157546 484921969 /nfs/dbraw/zinc/92/19/69/484921969.db2.gz ANAZNGAJUXHEIB-HOTGVXAUSA-N 2 0 352.479 -0.309 20 0 FBADRP C[N@H+](CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C1CC1 ZINC000572157547 484921998 /nfs/dbraw/zinc/92/19/98/484921998.db2.gz ANAZNGAJUXHEIB-HZPDHXFCSA-N 2 0 352.479 -0.309 20 0 FBADRP C[N@H+](CCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)C1CC1 ZINC000572157548 484921238 /nfs/dbraw/zinc/92/12/38/484921238.db2.gz ANAZNGAJUXHEIB-JKSUJKDBSA-N 2 0 352.479 -0.309 20 0 FBADRP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000572159449 484920868 /nfs/dbraw/zinc/92/08/68/484920868.db2.gz MIMZNZBISLSNPY-BVUBDWEXSA-N 2 0 352.479 -0.073 20 0 FBADRP C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000572159450 484921958 /nfs/dbraw/zinc/92/19/58/484921958.db2.gz MIMZNZBISLSNPY-HNKHHVNMSA-N 2 0 352.479 -0.073 20 0 FBADRP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000572159451 484921194 /nfs/dbraw/zinc/92/11/94/484921194.db2.gz MIMZNZBISLSNPY-MIGQKNRLSA-N 2 0 352.479 -0.073 20 0 FBADRP C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000572159452 484921038 /nfs/dbraw/zinc/92/10/38/484921038.db2.gz MIMZNZBISLSNPY-XZDPQHSOSA-N 2 0 352.479 -0.073 20 0 FBADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000572234692 484925468 /nfs/dbraw/zinc/92/54/68/484925468.db2.gz ZFOKLPDQNORSET-IKGGRYGDSA-N 2 0 363.506 -0.422 20 0 FBADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000572234693 484925263 /nfs/dbraw/zinc/92/52/63/484925263.db2.gz ZFOKLPDQNORSET-ZACQAIPSSA-N 2 0 363.506 -0.422 20 0 FBADRP CS(=O)(=O)N1CC[C@@H](CN2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000572260315 484927662 /nfs/dbraw/zinc/92/76/62/484927662.db2.gz XXVZPRWEGISQTP-HNNXBMFYSA-N 2 0 358.508 -0.492 20 0 FBADRP CS(=O)(=O)N1CC[C@H](CN2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000572260316 484927624 /nfs/dbraw/zinc/92/76/24/484927624.db2.gz XXVZPRWEGISQTP-OAHLLOKOSA-N 2 0 358.508 -0.492 20 0 FBADRP C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCC(OCCC[NH3+])CC1 ZINC000572364683 484942016 /nfs/dbraw/zinc/94/20/16/484942016.db2.gz NVENTBMSTPVBEV-LLVKDONJSA-N 2 0 367.450 -0.933 20 0 FBADRP C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCC(OCCC[NH3+])CC1 ZINC000572364685 484941410 /nfs/dbraw/zinc/94/14/10/484941410.db2.gz NVENTBMSTPVBEV-NSHDSACASA-N 2 0 367.450 -0.933 20 0 FBADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000572367894 484942738 /nfs/dbraw/zinc/94/27/38/484942738.db2.gz MKMVHQKSIBUDBW-AWEZNQCLSA-N 2 0 358.512 -0.675 20 0 FBADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000572367895 484942751 /nfs/dbraw/zinc/94/27/51/484942751.db2.gz MKMVHQKSIBUDBW-CQSZACIVSA-N 2 0 358.512 -0.675 20 0 FBADRP O=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)C(=O)NC1C[NH2+]C1 ZINC000572381868 484948949 /nfs/dbraw/zinc/94/89/49/484948949.db2.gz PFNRHAXYWDCSQD-UHFFFAOYSA-N 2 0 359.474 -0.207 20 0 FBADRP CN1C(=O)N(CC(=O)N2CCN(C)C[C@H]2C[NH3+])C(=O)C12CCCCC2 ZINC000572401396 484959400 /nfs/dbraw/zinc/95/94/00/484959400.db2.gz LGDINOFLUBCQNE-CYBMUJFWSA-N 2 0 351.451 -0.315 20 0 FBADRP CN1C(=O)N(CC(=O)N2CCN(C)C[C@@H]2C[NH3+])C(=O)C12CCCCC2 ZINC000572401397 484960062 /nfs/dbraw/zinc/96/00/62/484960062.db2.gz LGDINOFLUBCQNE-ZDUSSCGKSA-N 2 0 351.451 -0.315 20 0 FBADRP O=C(CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)N1CC[NH2+]CC1 ZINC000572405485 484965800 /nfs/dbraw/zinc/96/58/00/484965800.db2.gz PQTSJKDNIOSNBS-CVEARBPZSA-N 3 0 351.495 -0.612 20 0 FBADRP O=C(CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)N1CC[NH2+]CC1 ZINC000572405486 484965643 /nfs/dbraw/zinc/96/56/43/484965643.db2.gz PQTSJKDNIOSNBS-HOTGVXAUSA-N 3 0 351.495 -0.612 20 0 FBADRP O=C(CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)N1CC[NH2+]CC1 ZINC000572405487 484965711 /nfs/dbraw/zinc/96/57/11/484965711.db2.gz PQTSJKDNIOSNBS-HZPDHXFCSA-N 3 0 351.495 -0.612 20 0 FBADRP O=C(CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)N1CC[NH2+]CC1 ZINC000572405488 484965955 /nfs/dbraw/zinc/96/59/55/484965955.db2.gz PQTSJKDNIOSNBS-JKSUJKDBSA-N 3 0 351.495 -0.612 20 0 FBADRP COC(=O)c1cnn(C)c1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000572427992 484969852 /nfs/dbraw/zinc/96/98/52/484969852.db2.gz ITOLPKRNZKZSJZ-UHFFFAOYSA-N 2 0 368.438 -0.903 20 0 FBADRP C[C@@H]1CC2(CN1C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C)CC[NH2+]CC2 ZINC000572475505 485297534 /nfs/dbraw/zinc/29/75/34/485297534.db2.gz GWTAIHILXQLTHJ-CABCVRRESA-N 2 0 351.495 -0.661 20 0 FBADRP C[C@H]1CC2(CN1C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C)CC[NH2+]CC2 ZINC000572475506 485296770 /nfs/dbraw/zinc/29/67/70/485296770.db2.gz GWTAIHILXQLTHJ-GJZGRUSLSA-N 2 0 351.495 -0.661 20 0 FBADRP C[C@@H]1CC2(CN1C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C)CC[NH2+]CC2 ZINC000572475507 485297044 /nfs/dbraw/zinc/29/70/44/485297044.db2.gz GWTAIHILXQLTHJ-HUUCEWRRSA-N 2 0 351.495 -0.661 20 0 FBADRP C[C@H]1CC2(CN1C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C)CC[NH2+]CC2 ZINC000572475508 485297027 /nfs/dbraw/zinc/29/70/27/485297027.db2.gz GWTAIHILXQLTHJ-LSDHHAIUSA-N 2 0 351.495 -0.661 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H](n2ccnn2)C1 ZINC000572513823 483997068 /nfs/dbraw/zinc/99/70/68/483997068.db2.gz PJIOJPBCEWPSNF-HNNXBMFYSA-N 2 0 365.482 -0.607 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H](n2ccnn2)C1 ZINC000572513824 483996992 /nfs/dbraw/zinc/99/69/92/483996992.db2.gz PJIOJPBCEWPSNF-OAHLLOKOSA-N 2 0 365.482 -0.607 20 0 FBADRP NS(=O)(=O)c1ccc(NC(=O)C2CC[NH+](CCOCC[NH3+])CC2)cc1 ZINC000572603020 485324445 /nfs/dbraw/zinc/32/44/45/485324445.db2.gz MUPHQMXEUAMJCV-UHFFFAOYSA-N 2 0 370.475 -0.040 20 0 FBADRP CN(Cc1c[nH]cn1)C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000572663426 485325474 /nfs/dbraw/zinc/32/54/74/485325474.db2.gz OYZVNRUNMYZVEG-AWEZNQCLSA-N 2 0 362.434 -0.867 20 0 FBADRP CN(Cc1c[nH]cn1)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000572663427 485325633 /nfs/dbraw/zinc/32/56/33/485325633.db2.gz OYZVNRUNMYZVEG-CQSZACIVSA-N 2 0 362.434 -0.867 20 0 FBADRP CN1CCN(C(=O)C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000572706058 485326026 /nfs/dbraw/zinc/32/60/26/485326026.db2.gz TXDNVBHHUDNCLK-MSOLQXFVSA-N 2 0 373.501 -0.132 20 0 FBADRP CN1CCN(C(=O)C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)[C@H](C[NH3+])C1 ZINC000572706059 485326748 /nfs/dbraw/zinc/32/67/48/485326748.db2.gz TXDNVBHHUDNCLK-QZTJIDSGSA-N 2 0 373.501 -0.132 20 0 FBADRP CN1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000572706060 485326685 /nfs/dbraw/zinc/32/66/85/485326685.db2.gz TXDNVBHHUDNCLK-ROUUACIJSA-N 2 0 373.501 -0.132 20 0 FBADRP CN1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)[C@H](C[NH3+])C1 ZINC000572706061 485326770 /nfs/dbraw/zinc/32/67/70/485326770.db2.gz TXDNVBHHUDNCLK-ZWKOTPCHSA-N 2 0 373.501 -0.132 20 0 FBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000572707733 485326086 /nfs/dbraw/zinc/32/60/86/485326086.db2.gz GDWNOXFONBLJJG-AWEZNQCLSA-N 2 0 367.494 -0.757 20 0 FBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000572707734 485326288 /nfs/dbraw/zinc/32/62/88/485326288.db2.gz GDWNOXFONBLJJG-CQSZACIVSA-N 2 0 367.494 -0.757 20 0 FBADRP CC[NH2+]CC1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000572712966 484068015 /nfs/dbraw/zinc/06/80/15/484068015.db2.gz TZUIUOFFZGARCA-UHFFFAOYSA-N 3 0 355.527 -0.214 20 0 FBADRP O=C(C[NH2+]C1CC1)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000572717750 485326488 /nfs/dbraw/zinc/32/64/88/485326488.db2.gz BBQOZONFSSFJIS-UHFFFAOYSA-N 2 0 367.475 -0.598 20 0 FBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000572726067 485327678 /nfs/dbraw/zinc/32/76/78/485327678.db2.gz HUEOQSNOKWHCSI-RDJZCZTQSA-N 2 0 353.511 -0.287 20 0 FBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000572726068 485327590 /nfs/dbraw/zinc/32/75/90/485327590.db2.gz HUEOQSNOKWHCSI-WBVHZDCISA-N 2 0 353.511 -0.287 20 0 FBADRP C[C@@H](CNC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1)C[NH+]1CCN(C)CC1 ZINC000572742411 485327282 /nfs/dbraw/zinc/32/72/82/485327282.db2.gz QSBOLTALEFTACU-INIZCTEOSA-N 2 0 367.538 -0.071 20 0 FBADRP C[C@H](CNC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1)C[NH+]1CCN(C)CC1 ZINC000572742412 485327646 /nfs/dbraw/zinc/32/76/46/485327646.db2.gz QSBOLTALEFTACU-MRXNPFEDSA-N 2 0 367.538 -0.071 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCC(=O)NC12CCC2 ZINC000572818988 485329091 /nfs/dbraw/zinc/32/90/91/485329091.db2.gz VIFMLNRZGZOJDN-AWEZNQCLSA-N 2 0 367.494 -0.744 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCC(=O)NC12CCC2 ZINC000572818989 485329658 /nfs/dbraw/zinc/32/96/58/485329658.db2.gz VIFMLNRZGZOJDN-CQSZACIVSA-N 2 0 367.494 -0.744 20 0 FBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000572826965 485330393 /nfs/dbraw/zinc/33/03/93/485330393.db2.gz MNPQZZZCDYGFKT-HNNXBMFYSA-N 2 0 355.527 -0.025 20 0 FBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000572826966 485330188 /nfs/dbraw/zinc/33/01/88/485330188.db2.gz MNPQZZZCDYGFKT-OAHLLOKOSA-N 2 0 355.527 -0.025 20 0 FBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000572858950 485330796 /nfs/dbraw/zinc/33/07/96/485330796.db2.gz SCLJEGZKRFIMAY-INIZCTEOSA-N 2 0 352.479 -0.042 20 0 FBADRP O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000572858951 485331264 /nfs/dbraw/zinc/33/12/64/485331264.db2.gz SCLJEGZKRFIMAY-MRXNPFEDSA-N 2 0 352.479 -0.042 20 0 FBADRP CCNC(=O)COc1cccc(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)c1 ZINC000572952880 485333947 /nfs/dbraw/zinc/33/39/47/485333947.db2.gz NTUIKHSDCAFCRV-KRWDZBQOSA-N 2 0 364.490 -0.101 20 0 FBADRP CCNC(=O)COc1cccc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)c1 ZINC000572952881 485333323 /nfs/dbraw/zinc/33/33/23/485333323.db2.gz NTUIKHSDCAFCRV-QGZVFWFLSA-N 2 0 364.490 -0.101 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC(CCCO)CC1 ZINC000572963273 485333810 /nfs/dbraw/zinc/33/38/10/485333810.db2.gz AYTQDVGQWZLTHP-UHFFFAOYSA-N 2 0 356.511 -0.051 20 0 FBADRP C[NH+](C)CCOc1cc(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)ccn1 ZINC000572992403 485334714 /nfs/dbraw/zinc/33/47/14/485334714.db2.gz JGHRPOKFJOUDJI-KRWDZBQOSA-N 3 0 351.495 -0.280 20 0 FBADRP C[NH+](C)CCOc1cc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)ccn1 ZINC000572992404 485334884 /nfs/dbraw/zinc/33/48/84/485334884.db2.gz JGHRPOKFJOUDJI-QGZVFWFLSA-N 3 0 351.495 -0.280 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)NCC(=O)N3CC[NH2+]CC3)CC2)c1 ZINC000573095248 483905736 /nfs/dbraw/zinc/90/57/36/483905736.db2.gz GDOHLJYEDWVAMR-UHFFFAOYSA-N 2 0 362.434 -0.646 20 0 FBADRP [NH3+][C@H]1C[C@@H]2CN(C(=O)CC3([NH+]4CCOCC4)CCCC3)CCN2C1=O ZINC000573138839 483908357 /nfs/dbraw/zinc/90/83/57/483908357.db2.gz UBIMHQAEHJGICC-CABCVRRESA-N 2 0 350.463 -0.208 20 0 FBADRP [NH3+][C@H]1C[C@H]2CN(C(=O)CC3([NH+]4CCOCC4)CCCC3)CCN2C1=O ZINC000573138840 483908676 /nfs/dbraw/zinc/90/86/76/483908676.db2.gz UBIMHQAEHJGICC-GJZGRUSLSA-N 2 0 350.463 -0.208 20 0 FBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)CC3([NH+]4CCOCC4)CCCC3)CCN2C1=O ZINC000573138841 483908512 /nfs/dbraw/zinc/90/85/12/483908512.db2.gz UBIMHQAEHJGICC-HUUCEWRRSA-N 2 0 350.463 -0.208 20 0 FBADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)CC3([NH+]4CCOCC4)CCCC3)CCN2C1=O ZINC000573138842 483908794 /nfs/dbraw/zinc/90/87/94/483908794.db2.gz UBIMHQAEHJGICC-LSDHHAIUSA-N 2 0 350.463 -0.208 20 0 FBADRP COCC[N@H+](C)CCN1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)CC1=O ZINC000573167656 483909783 /nfs/dbraw/zinc/90/97/83/483909783.db2.gz SRAGFKKRYMNVDL-CVEARBPZSA-N 2 0 370.494 -0.750 20 0 FBADRP COCC[N@H+](C)CCN1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1=O ZINC000573167657 483909684 /nfs/dbraw/zinc/90/96/84/483909684.db2.gz SRAGFKKRYMNVDL-HOTGVXAUSA-N 2 0 370.494 -0.750 20 0 FBADRP COCC[N@H+](C)CCN1C[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)CC1=O ZINC000573167658 483909813 /nfs/dbraw/zinc/90/98/13/483909813.db2.gz SRAGFKKRYMNVDL-HZPDHXFCSA-N 2 0 370.494 -0.750 20 0 FBADRP COCC[N@H+](C)CCN1C[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1=O ZINC000573167659 483909856 /nfs/dbraw/zinc/90/98/56/483909856.db2.gz SRAGFKKRYMNVDL-JKSUJKDBSA-N 2 0 370.494 -0.750 20 0 FBADRP CN1CCN(C(=O)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)[C@H](C[NH3+])C1 ZINC000573190902 483910024 /nfs/dbraw/zinc/91/00/24/483910024.db2.gz DCHWFERIGGIIER-GOSISDBHSA-N 2 0 373.501 0.000 20 0 FBADRP CN1CCN(C(=O)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)[C@@H](C[NH3+])C1 ZINC000573190903 483909619 /nfs/dbraw/zinc/90/96/19/483909619.db2.gz DCHWFERIGGIIER-SFHVURJKSA-N 2 0 373.501 0.000 20 0 FBADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000573197686 483909258 /nfs/dbraw/zinc/90/92/58/483909258.db2.gz VGLFSWXYFGLKKY-INIZCTEOSA-N 2 0 351.495 -0.565 20 0 FBADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000573197687 483909334 /nfs/dbraw/zinc/90/93/34/483909334.db2.gz VGLFSWXYFGLKKY-MRXNPFEDSA-N 2 0 351.495 -0.565 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCO[C@]2(CCCOC2)C1 ZINC000573211742 483910630 /nfs/dbraw/zinc/91/06/30/483910630.db2.gz LPIPRQHIIRDATL-GOSISDBHSA-N 2 0 370.494 -0.654 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCO[C@@]2(CCCOC2)C1 ZINC000573211743 483910429 /nfs/dbraw/zinc/91/04/29/483910429.db2.gz LPIPRQHIIRDATL-SFHVURJKSA-N 2 0 370.494 -0.654 20 0 FBADRP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000573226764 483911074 /nfs/dbraw/zinc/91/10/74/483911074.db2.gz VRVLODBNVAPHHR-INIZCTEOSA-N 2 0 353.511 -0.317 20 0 FBADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000573226765 483910766 /nfs/dbraw/zinc/91/07/66/483910766.db2.gz VRVLODBNVAPHHR-MRXNPFEDSA-N 2 0 353.511 -0.317 20 0 FBADRP CN(C)C(=O)COc1cccc(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)c1 ZINC000573358809 483916650 /nfs/dbraw/zinc/91/66/50/483916650.db2.gz UIYQKIMTJGSTJD-KRWDZBQOSA-N 2 0 364.490 -0.149 20 0 FBADRP CN(C)C(=O)COc1cccc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)c1 ZINC000573358810 483916704 /nfs/dbraw/zinc/91/67/04/483916704.db2.gz UIYQKIMTJGSTJD-QGZVFWFLSA-N 2 0 364.490 -0.149 20 0 FBADRP C[C@H]1[NH2+]CCC[C@H]1NC(=O)[C@]1(CC(=O)N[C@H]2CCC[NH2+][C@H]2C)CC[NH2+]C1 ZINC000573372545 483917902 /nfs/dbraw/zinc/91/79/02/483917902.db2.gz ROVSCZMBJRZORC-WPECMILSSA-N 3 0 365.522 -0.130 20 0 FBADRP CCC[NH+](C)CC(=O)N1CCN(C)[C@@H](CNC(=O)C[N@@H+](C)CCC)C1 ZINC000573380163 483918235 /nfs/dbraw/zinc/91/82/35/483918235.db2.gz HGTBJBOCWMOWPU-INIZCTEOSA-N 2 0 355.527 -0.071 20 0 FBADRP CCC[NH+](C)CC(=O)N1CCN(C)[C@H](CNC(=O)C[N@@H+](C)CCC)C1 ZINC000573380165 483917628 /nfs/dbraw/zinc/91/76/28/483917628.db2.gz HGTBJBOCWMOWPU-MRXNPFEDSA-N 2 0 355.527 -0.071 20 0 FBADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000573429867 483920945 /nfs/dbraw/zinc/92/09/45/483920945.db2.gz MLIITQRAYSKTOD-CVEARBPZSA-N 2 0 353.511 -0.142 20 0 FBADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000573429868 483921185 /nfs/dbraw/zinc/92/11/85/483921185.db2.gz MLIITQRAYSKTOD-HOTGVXAUSA-N 2 0 353.511 -0.142 20 0 FBADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000573429869 483921341 /nfs/dbraw/zinc/92/13/41/483921341.db2.gz MLIITQRAYSKTOD-HZPDHXFCSA-N 2 0 353.511 -0.142 20 0 FBADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000573429870 483920780 /nfs/dbraw/zinc/92/07/80/483920780.db2.gz MLIITQRAYSKTOD-JKSUJKDBSA-N 2 0 353.511 -0.142 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC[NH+](C2CCCC2)CC1 ZINC000573432557 483920970 /nfs/dbraw/zinc/92/09/70/483920970.db2.gz UCDYCLFYGGYTFY-KRWDZBQOSA-N 2 0 365.522 -0.175 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC[NH+](C2CCCC2)CC1 ZINC000573432558 483920567 /nfs/dbraw/zinc/92/05/67/483920567.db2.gz UCDYCLFYGGYTFY-QGZVFWFLSA-N 2 0 365.522 -0.175 20 0 FBADRP C[C@H](NC(=O)c1cccc(N2CC[NH+](C)CC2)n1)C(=O)NCC[NH+](C)C ZINC000573457552 483922438 /nfs/dbraw/zinc/92/24/38/483922438.db2.gz CRDKMHHZXZBCCS-AWEZNQCLSA-N 2 0 362.478 -0.371 20 0 FBADRP C[C@@H](NC(=O)c1cccc(N2CC[NH+](C)CC2)n1)C(=O)NCC[NH+](C)C ZINC000573457555 483922549 /nfs/dbraw/zinc/92/25/49/483922549.db2.gz CRDKMHHZXZBCCS-CQSZACIVSA-N 2 0 362.478 -0.371 20 0 FBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000573476312 483924758 /nfs/dbraw/zinc/92/47/58/483924758.db2.gz UQTGESSRQUGUSE-AWEZNQCLSA-N 2 0 355.483 -0.757 20 0 FBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000573476313 483924635 /nfs/dbraw/zinc/92/46/35/483924635.db2.gz UQTGESSRQUGUSE-CQSZACIVSA-N 2 0 355.483 -0.757 20 0 FBADRP COCC[NH2+]C1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+]2CCOC)CC1 ZINC000573500054 483924816 /nfs/dbraw/zinc/92/48/16/483924816.db2.gz OLZLJXULATUPGG-INIZCTEOSA-N 2 0 370.494 -0.560 20 0 FBADRP COCC[NH2+]C1CCN(C(=O)C(=O)NC[C@H]2CCC[N@@H+]2CCOC)CC1 ZINC000573500060 483923685 /nfs/dbraw/zinc/92/36/85/483923685.db2.gz OLZLJXULATUPGG-MRXNPFEDSA-N 2 0 370.494 -0.560 20 0 FBADRP COCC[N@H+](C)CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000573521968 483925547 /nfs/dbraw/zinc/92/55/47/483925547.db2.gz ZSUDUZWKYKTKJR-CVEARBPZSA-N 2 0 370.494 -0.825 20 0 FBADRP COCC[N@H+](C)CCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000573521969 483926759 /nfs/dbraw/zinc/92/67/59/483926759.db2.gz ZSUDUZWKYKTKJR-HOTGVXAUSA-N 2 0 370.494 -0.825 20 0 FBADRP COCC[N@H+](C)CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000573521970 483925863 /nfs/dbraw/zinc/92/58/63/483925863.db2.gz ZSUDUZWKYKTKJR-HZPDHXFCSA-N 2 0 370.494 -0.825 20 0 FBADRP COCC[N@H+](C)CCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000573521971 483925641 /nfs/dbraw/zinc/92/56/41/483925641.db2.gz ZSUDUZWKYKTKJR-JKSUJKDBSA-N 2 0 370.494 -0.825 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000573547171 483928099 /nfs/dbraw/zinc/92/80/99/483928099.db2.gz WSDJHWZBSMOEPZ-UHFFFAOYSA-N 3 0 364.498 -0.157 20 0 FBADRP C[C@H](O)CN1CCN(C(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)C[C@H]1C ZINC000573555726 483927581 /nfs/dbraw/zinc/92/75/81/483927581.db2.gz XYZMISXOSDZSRE-CABCVRRESA-N 2 0 352.479 -0.498 20 0 FBADRP C[C@H](O)CN1CCN(C(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)C[C@@H]1C ZINC000573555727 483927488 /nfs/dbraw/zinc/92/74/88/483927488.db2.gz XYZMISXOSDZSRE-GJZGRUSLSA-N 2 0 352.479 -0.498 20 0 FBADRP C[C@@H](O)CN1CCN(C(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)C[C@H]1C ZINC000573555728 483927235 /nfs/dbraw/zinc/92/72/35/483927235.db2.gz XYZMISXOSDZSRE-HUUCEWRRSA-N 2 0 352.479 -0.498 20 0 FBADRP C[C@@H](O)CN1CCN(C(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)C[C@@H]1C ZINC000573555729 483928304 /nfs/dbraw/zinc/92/83/04/483928304.db2.gz XYZMISXOSDZSRE-LSDHHAIUSA-N 2 0 352.479 -0.498 20 0 FBADRP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)c2cn(CCC[NH3+])nn2)cc1 ZINC000573562257 483927813 /nfs/dbraw/zinc/92/78/13/483927813.db2.gz URFLMFJJZTYUPK-UHFFFAOYSA-N 2 0 373.461 -0.152 20 0 FBADRP C[NH+](C)CCN1C(=O)C[C@@H]([N@@H+]2CC[C@@](C(N)=O)(c3ccccc3)C2)C1=O ZINC000573574835 483928402 /nfs/dbraw/zinc/92/84/02/483928402.db2.gz CKCHPPDSWYEOTJ-BEFAXECRSA-N 2 0 358.442 -0.196 20 0 FBADRP C[NH+](C)CCN1C(=O)C[C@@H]([N@@H+]2CC[C@](C(N)=O)(c3ccccc3)C2)C1=O ZINC000573574836 483927966 /nfs/dbraw/zinc/92/79/66/483927966.db2.gz CKCHPPDSWYEOTJ-DNVCBOLYSA-N 2 0 358.442 -0.196 20 0 FBADRP C[NH+](C)CCN1C(=O)C[C@H]([N@@H+]2CC[C@](C(N)=O)(c3ccccc3)C2)C1=O ZINC000573574837 483928423 /nfs/dbraw/zinc/92/84/23/483928423.db2.gz CKCHPPDSWYEOTJ-HNAYVOBHSA-N 2 0 358.442 -0.196 20 0 FBADRP C[NH+](C)CCN1C(=O)C[C@H]([N@@H+]2CC[C@@](C(N)=O)(c3ccccc3)C2)C1=O ZINC000573574838 483927386 /nfs/dbraw/zinc/92/73/86/483927386.db2.gz CKCHPPDSWYEOTJ-KXBFYZLASA-N 2 0 358.442 -0.196 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCN(CC(F)F)C1 ZINC000573593273 483929271 /nfs/dbraw/zinc/92/92/71/483929271.db2.gz PEKFDXCBFFUIFT-CYBMUJFWSA-N 2 0 363.453 -0.606 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCN(CC(F)F)C1 ZINC000573593274 483929385 /nfs/dbraw/zinc/92/93/85/483929385.db2.gz PEKFDXCBFFUIFT-ZDUSSCGKSA-N 2 0 363.453 -0.606 20 0 FBADRP COc1ccc(C[N@@H+]2CCCN(C(=O)CN(CC[NH3+])CCO)CC2)cc1 ZINC000573608938 483930947 /nfs/dbraw/zinc/93/09/47/483930947.db2.gz MJPUMWVZHNUGBA-UHFFFAOYSA-N 2 0 364.490 -0.018 20 0 FBADRP C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(Cc3ncc[nH]3)CC2)C[N@@H+]1C1CC1 ZINC000573643952 483933356 /nfs/dbraw/zinc/93/33/56/483933356.db2.gz LSLLDNKDBLKHRY-KBPBESRZSA-N 2 0 360.462 -0.205 20 0 FBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(Cc3ncc[nH]3)CC2)C[N@@H+]1C1CC1 ZINC000573643957 483933555 /nfs/dbraw/zinc/93/35/55/483933555.db2.gz LSLLDNKDBLKHRY-KGLIPLIRSA-N 2 0 360.462 -0.205 20 0 FBADRP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(Cc3ncc[nH]3)CC2)C[N@@H+]1C1CC1 ZINC000573643959 483933071 /nfs/dbraw/zinc/93/30/71/483933071.db2.gz LSLLDNKDBLKHRY-UONOGXRCSA-N 2 0 360.462 -0.205 20 0 FBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(Cc3ncc[nH]3)CC2)C[N@@H+]1C1CC1 ZINC000573643961 483933858 /nfs/dbraw/zinc/93/38/58/483933858.db2.gz LSLLDNKDBLKHRY-ZIAGYGMSSA-N 2 0 360.462 -0.205 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]([C@H]2CCOC2)C1 ZINC000573662626 483932671 /nfs/dbraw/zinc/93/26/71/483932671.db2.gz REONNZCACYPTCP-CVEARBPZSA-N 2 0 354.495 -0.177 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]([C@H]2CCOC2)C1 ZINC000573662630 483933977 /nfs/dbraw/zinc/93/39/77/483933977.db2.gz REONNZCACYPTCP-HOTGVXAUSA-N 2 0 354.495 -0.177 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000573662632 483933272 /nfs/dbraw/zinc/93/32/72/483933272.db2.gz REONNZCACYPTCP-HZPDHXFCSA-N 2 0 354.495 -0.177 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]([C@@H]2CCOC2)C1 ZINC000573662633 483933464 /nfs/dbraw/zinc/93/34/64/483933464.db2.gz REONNZCACYPTCP-JKSUJKDBSA-N 2 0 354.495 -0.177 20 0 FBADRP CN(C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000573675791 483935396 /nfs/dbraw/zinc/93/53/96/483935396.db2.gz IQUAUQKZZDFEHB-OEAJRASXSA-N 2 0 350.463 -0.747 20 0 FBADRP CN(C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000573675792 483935544 /nfs/dbraw/zinc/93/55/44/483935544.db2.gz IQUAUQKZZDFEHB-OJLVUWQFSA-N 2 0 350.463 -0.747 20 0 FBADRP CN(C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000573675793 483935604 /nfs/dbraw/zinc/93/56/04/483935604.db2.gz IQUAUQKZZDFEHB-TUUVXOQKSA-N 2 0 350.463 -0.747 20 0 FBADRP CN(C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000573675794 483934757 /nfs/dbraw/zinc/93/47/57/483934757.db2.gz IQUAUQKZZDFEHB-UKMLZYKCSA-N 2 0 350.463 -0.747 20 0 FBADRP CC[N@H+](CCNC(=O)C(=O)N1CCN(C[C@@H]2CCOC2)CC1)C1CC1 ZINC000573735846 483938659 /nfs/dbraw/zinc/93/86/59/483938659.db2.gz MVJCRNAVEXFNLV-HNNXBMFYSA-N 2 0 352.479 -0.232 20 0 FBADRP CC[N@H+](CCNC(=O)C(=O)N1CCN(C[C@H]2CCOC2)CC1)C1CC1 ZINC000573735847 483938911 /nfs/dbraw/zinc/93/89/11/483938911.db2.gz MVJCRNAVEXFNLV-OAHLLOKOSA-N 2 0 352.479 -0.232 20 0 FBADRP O=C(NCC[N@@H+]1CCCOCC1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000573786896 483940132 /nfs/dbraw/zinc/94/01/32/483940132.db2.gz WNWWWPRMDNKFPV-INIZCTEOSA-N 2 0 367.494 -0.438 20 0 FBADRP O=C(NCC[N@@H+]1CCCOCC1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000573786897 483940309 /nfs/dbraw/zinc/94/03/09/483940309.db2.gz WNWWWPRMDNKFPV-MRXNPFEDSA-N 2 0 367.494 -0.438 20 0 FBADRP O=C(NCCCC[NH+]1CCN(Cc2ccccc2)CC1)C(=O)NC1C[NH2+]C1 ZINC000573823562 483941591 /nfs/dbraw/zinc/94/15/91/483941591.db2.gz FHKYNFWQIAKTQU-UHFFFAOYSA-N 2 0 373.501 -0.211 20 0 FBADRP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000573827402 483943053 /nfs/dbraw/zinc/94/30/53/483943053.db2.gz LLLHTOIXOYBADA-CVEARBPZSA-N 2 0 355.527 -0.086 20 0 FBADRP C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000573827404 483943785 /nfs/dbraw/zinc/94/37/85/483943785.db2.gz LLLHTOIXOYBADA-HOTGVXAUSA-N 2 0 355.527 -0.086 20 0 FBADRP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000573827405 483943899 /nfs/dbraw/zinc/94/38/99/483943899.db2.gz LLLHTOIXOYBADA-HZPDHXFCSA-N 2 0 355.527 -0.086 20 0 FBADRP C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000573827406 483943872 /nfs/dbraw/zinc/94/38/72/483943872.db2.gz LLLHTOIXOYBADA-JKSUJKDBSA-N 2 0 355.527 -0.086 20 0 FBADRP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[C@H]([NH+]4CCCC4)C3)C[C@H]2[NH3+])cn1 ZINC000573834207 483943666 /nfs/dbraw/zinc/94/36/66/483943666.db2.gz QJFFWLRGLBBANX-HRCADAONSA-N 2 0 360.462 -0.630 20 0 FBADRP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[C@@H]([NH+]4CCCC4)C3)C[C@H]2[NH3+])cn1 ZINC000573834208 483943811 /nfs/dbraw/zinc/94/38/11/483943811.db2.gz QJFFWLRGLBBANX-OWCLPIDISA-N 2 0 360.462 -0.630 20 0 FBADRP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)COC2CC[NH2+]CC2)c1 ZINC000573847287 483943011 /nfs/dbraw/zinc/94/30/11/483943011.db2.gz MAEBVDGLNMDKBQ-UHFFFAOYSA-N 2 0 356.448 -0.369 20 0 FBADRP COCC[N@H+](C)C[C@H](O)CN1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000573979734 483950425 /nfs/dbraw/zinc/95/04/25/483950425.db2.gz SLOYHPUTRADUMT-CABCVRRESA-N 2 0 351.513 -0.471 20 0 FBADRP COCC[N@H+](C)C[C@H](O)CN1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000573979741 483951703 /nfs/dbraw/zinc/95/17/03/483951703.db2.gz SLOYHPUTRADUMT-GJZGRUSLSA-N 2 0 351.513 -0.471 20 0 FBADRP COCC[N@H+](C)C[C@@H](O)CN1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000573979742 483950164 /nfs/dbraw/zinc/95/01/64/483950164.db2.gz SLOYHPUTRADUMT-HUUCEWRRSA-N 2 0 351.513 -0.471 20 0 FBADRP COCC[N@H+](C)C[C@@H](O)CN1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000573979743 483950843 /nfs/dbraw/zinc/95/08/43/483950843.db2.gz SLOYHPUTRADUMT-LSDHHAIUSA-N 2 0 351.513 -0.471 20 0 FBADRP C[N@@H+]1CC[C@H](CNS(=O)(=O)CCCS(=O)(=O)Nc2c[nH]cn2)C1 ZINC000573982829 483950929 /nfs/dbraw/zinc/95/09/29/483950929.db2.gz VWZAVROUSMHBIR-LLVKDONJSA-N 2 0 365.481 -0.587 20 0 FBADRP C[N@@H+]1CC[C@@H](CNS(=O)(=O)CCCS(=O)(=O)Nc2c[nH]cn2)C1 ZINC000573982830 483951288 /nfs/dbraw/zinc/95/12/88/483951288.db2.gz VWZAVROUSMHBIR-NSHDSACASA-N 2 0 365.481 -0.587 20 0 FBADRP CCC[N@H+](CC)CCNC(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000573993806 483952202 /nfs/dbraw/zinc/95/22/02/483952202.db2.gz QGVZFMUBMXWLLQ-UHFFFAOYSA-N 2 0 355.527 -0.023 20 0 FBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cn(CCC[NH3+])nn1 ZINC000574036940 483952416 /nfs/dbraw/zinc/95/24/16/483952416.db2.gz ZPWLJOPBIYOERF-AWEZNQCLSA-N 2 0 351.455 -0.701 20 0 FBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1cn(CCC[NH3+])nn1 ZINC000574036941 483952574 /nfs/dbraw/zinc/95/25/74/483952574.db2.gz ZPWLJOPBIYOERF-CQSZACIVSA-N 2 0 351.455 -0.701 20 0 FBADRP Cc1nn(C)cc1[C@@H](C)NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000574062650 483955071 /nfs/dbraw/zinc/95/50/71/483955071.db2.gz MNROAIGBGJMXRX-CYBMUJFWSA-N 2 0 352.483 -0.142 20 0 FBADRP Cc1nn(C)cc1[C@H](C)NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000574062651 483954901 /nfs/dbraw/zinc/95/49/01/483954901.db2.gz MNROAIGBGJMXRX-ZDUSSCGKSA-N 2 0 352.483 -0.142 20 0 FBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000574301314 483966712 /nfs/dbraw/zinc/96/67/12/483966712.db2.gz BGXWKQOJLIUYKV-CABCVRRESA-N 2 0 352.479 -0.044 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000574301315 483967265 /nfs/dbraw/zinc/96/72/65/483967265.db2.gz BGXWKQOJLIUYKV-GJZGRUSLSA-N 2 0 352.479 -0.044 20 0 FBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000574301316 483966744 /nfs/dbraw/zinc/96/67/44/483966744.db2.gz BGXWKQOJLIUYKV-HUUCEWRRSA-N 2 0 352.479 -0.044 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000574301317 483966422 /nfs/dbraw/zinc/96/64/22/483966422.db2.gz BGXWKQOJLIUYKV-LSDHHAIUSA-N 2 0 352.479 -0.044 20 0 FBADRP CN1CC[NH+](CCCCNC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000574343377 483968299 /nfs/dbraw/zinc/96/82/99/483968299.db2.gz CLLNNWZJHRGZGB-DLBZAZTESA-N 2 0 365.522 -0.317 20 0 FBADRP CN1CC[NH+](CCCCNC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000574343378 483970069 /nfs/dbraw/zinc/97/00/69/483970069.db2.gz CLLNNWZJHRGZGB-IAGOWNOFSA-N 2 0 365.522 -0.317 20 0 FBADRP CN1CC[NH+](CCCCNC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000574343379 483970387 /nfs/dbraw/zinc/97/03/87/483970387.db2.gz CLLNNWZJHRGZGB-IRXDYDNUSA-N 2 0 365.522 -0.317 20 0 FBADRP CN1CC[NH+](CCCCNC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000574343380 483971012 /nfs/dbraw/zinc/97/10/12/483971012.db2.gz CLLNNWZJHRGZGB-SJORKVTESA-N 2 0 365.522 -0.317 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000574349073 483969968 /nfs/dbraw/zinc/96/99/68/483969968.db2.gz JVOOTLCMHSPEQK-DLBZAZTESA-N 2 0 365.522 -0.461 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000574349077 483970802 /nfs/dbraw/zinc/97/08/02/483970802.db2.gz JVOOTLCMHSPEQK-IAGOWNOFSA-N 2 0 365.522 -0.461 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000574349079 483969826 /nfs/dbraw/zinc/96/98/26/483969826.db2.gz JVOOTLCMHSPEQK-IRXDYDNUSA-N 2 0 365.522 -0.461 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000574349081 483970885 /nfs/dbraw/zinc/97/08/85/483970885.db2.gz JVOOTLCMHSPEQK-SJORKVTESA-N 2 0 365.522 -0.461 20 0 FBADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000574398247 483972877 /nfs/dbraw/zinc/97/28/77/483972877.db2.gz YRAXRZORQYEIOL-CYBMUJFWSA-N 2 0 351.455 -0.054 20 0 FBADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000574398248 483972990 /nfs/dbraw/zinc/97/29/90/483972990.db2.gz YRAXRZORQYEIOL-ZDUSSCGKSA-N 2 0 351.455 -0.054 20 0 FBADRP C[NH+](C)[C@]1(CNC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CCSC1 ZINC000574426193 483973968 /nfs/dbraw/zinc/97/39/68/483973968.db2.gz AUVUVOHAXMMOHZ-BBRMVZONSA-N 2 0 357.524 -0.080 20 0 FBADRP C[NH+](C)[C@]1(CNC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CCSC1 ZINC000574426199 483974774 /nfs/dbraw/zinc/97/47/74/483974774.db2.gz AUVUVOHAXMMOHZ-CJNGLKHVSA-N 2 0 357.524 -0.080 20 0 FBADRP C[NH+](C)[C@@]1(CNC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CCSC1 ZINC000574426200 483974433 /nfs/dbraw/zinc/97/44/33/483974433.db2.gz AUVUVOHAXMMOHZ-CZUORRHYSA-N 2 0 357.524 -0.080 20 0 FBADRP C[NH+](C)[C@@]1(CNC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CCSC1 ZINC000574426202 483974046 /nfs/dbraw/zinc/97/40/46/483974046.db2.gz AUVUVOHAXMMOHZ-XJKSGUPXSA-N 2 0 357.524 -0.080 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000574443300 483973654 /nfs/dbraw/zinc/97/36/54/483973654.db2.gz SKOLLSBARJSDNC-UHFFFAOYSA-N 3 0 353.511 -0.460 20 0 FBADRP COC(=O)[C@]1(C)CCCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000574501005 483977529 /nfs/dbraw/zinc/97/75/29/483977529.db2.gz WHRWNVSPMNYCOO-GOSISDBHSA-N 2 0 370.494 -0.260 20 0 FBADRP COC(=O)[C@@]1(C)CCCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000574501006 483978073 /nfs/dbraw/zinc/97/80/73/483978073.db2.gz WHRWNVSPMNYCOO-SFHVURJKSA-N 2 0 370.494 -0.260 20 0 FBADRP C[C@H](O)CN1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)C[C@@H]1C ZINC000574539351 483980352 /nfs/dbraw/zinc/98/03/52/483980352.db2.gz VVZQQXCIEZZYDO-BXWFABGCSA-N 2 0 366.506 -0.156 20 0 FBADRP C[C@H](O)CN1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)C[C@H]1C ZINC000574539352 483979962 /nfs/dbraw/zinc/97/99/62/483979962.db2.gz VVZQQXCIEZZYDO-GJYPPUQNSA-N 2 0 366.506 -0.156 20 0 FBADRP C[C@H](O)CN1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)C[C@H]1C ZINC000574539353 483979585 /nfs/dbraw/zinc/97/95/85/483979585.db2.gz VVZQQXCIEZZYDO-JTDSTZFVSA-N 2 0 366.506 -0.156 20 0 FBADRP C[C@H](O)CN1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)C[C@@H]1C ZINC000574539354 483979315 /nfs/dbraw/zinc/97/93/15/483979315.db2.gz VVZQQXCIEZZYDO-TXPKVOOTSA-N 2 0 366.506 -0.156 20 0 FBADRP CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)NC[C@]1(O)CC[NH+](C)C1)C2 ZINC000574545978 483979500 /nfs/dbraw/zinc/97/95/00/483979500.db2.gz HYQWXUDHYRKPIS-KRWWSPQJSA-N 2 0 367.494 -0.564 20 0 FBADRP CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)NC[C@@]1(O)CC[NH+](C)C1)C2 ZINC000574545979 483980703 /nfs/dbraw/zinc/98/07/03/483980703.db2.gz HYQWXUDHYRKPIS-MUSFGAPCSA-N 2 0 367.494 -0.564 20 0 FBADRP CC[NH+]1CCN(c2ccc(C(=O)NCC(=O)N3CC[NH2+]CC3)cc2)CC1 ZINC000574571337 483981438 /nfs/dbraw/zinc/98/14/38/483981438.db2.gz KBWMOWJJWYLUHZ-UHFFFAOYSA-N 2 0 359.474 -0.010 20 0 FBADRP CCC1(CO)CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000574617498 483984673 /nfs/dbraw/zinc/98/46/73/483984673.db2.gz RKYIVOVYZYGHFY-UHFFFAOYSA-N 2 0 356.511 -0.051 20 0 FBADRP C[NH+]1CCC(CNS(=O)(=O)CC[NH+]2CCCC2)(N2CCOCC2)CC1 ZINC000574622032 483985370 /nfs/dbraw/zinc/98/53/70/483985370.db2.gz LFFMOEPDJHSQBF-UHFFFAOYSA-N 2 0 374.551 -0.202 20 0 FBADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N3CCC[NH2+]CC3)CC2)CC1 ZINC000574629923 483986615 /nfs/dbraw/zinc/98/66/15/483986615.db2.gz NSAQDVBCLZVEDW-UHFFFAOYSA-N 2 0 365.522 -0.175 20 0 FBADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)N2CCC(CC[NH3+])CC2)CC1 ZINC000574644869 483986349 /nfs/dbraw/zinc/98/63/49/483986349.db2.gz IBLLQVYGBXBCJE-UHFFFAOYSA-N 2 0 354.495 -0.121 20 0 FBADRP COc1ccc([C@@H](CNC(=O)C(=O)NC2C[NH2+]C2)[NH+](C)C)cc1OC ZINC000574667787 483988287 /nfs/dbraw/zinc/98/82/87/483988287.db2.gz TYWDGJBYPZICGD-CYBMUJFWSA-N 2 0 350.419 -0.489 20 0 FBADRP COc1ccc([C@H](CNC(=O)C(=O)NC2C[NH2+]C2)[NH+](C)C)cc1OC ZINC000574667788 483988459 /nfs/dbraw/zinc/98/84/59/483988459.db2.gz TYWDGJBYPZICGD-ZDUSSCGKSA-N 2 0 350.419 -0.489 20 0 FBADRP O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)NC1C[NH2+]C1 ZINC000574668644 483987893 /nfs/dbraw/zinc/98/78/93/483987893.db2.gz YRHHRFDJOPDFQL-UHFFFAOYSA-N 2 0 359.474 -0.602 20 0 FBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)N[C@H]2CC[N@H+](CCOC)C2)CC1 ZINC000574704817 483990045 /nfs/dbraw/zinc/99/00/45/483990045.db2.gz RKYOXOMELFXROC-INIZCTEOSA-N 2 0 369.510 -0.003 20 0 FBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)N[C@@H]2CC[N@H+](CCOC)C2)CC1 ZINC000574704822 483989931 /nfs/dbraw/zinc/98/99/31/483989931.db2.gz RKYOXOMELFXROC-MRXNPFEDSA-N 2 0 369.510 -0.003 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000574736907 483991709 /nfs/dbraw/zinc/99/17/09/483991709.db2.gz SYCMRPHFSZYHNT-DLBZAZTESA-N 3 0 367.538 -0.119 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000574736910 483991809 /nfs/dbraw/zinc/99/18/09/483991809.db2.gz SYCMRPHFSZYHNT-IAGOWNOFSA-N 3 0 367.538 -0.119 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000574736912 483991995 /nfs/dbraw/zinc/99/19/95/483991995.db2.gz SYCMRPHFSZYHNT-IRXDYDNUSA-N 3 0 367.538 -0.119 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000574736913 483991307 /nfs/dbraw/zinc/99/13/07/483991307.db2.gz SYCMRPHFSZYHNT-SJORKVTESA-N 3 0 367.538 -0.119 20 0 FBADRP COCCC[NH+]1CCC(NC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC1 ZINC000574771698 483994115 /nfs/dbraw/zinc/99/41/15/483994115.db2.gz VJMOQBIKUUGATI-CABCVRRESA-N 2 0 353.467 -0.559 20 0 FBADRP COCCC[NH+]1CCC(NC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC1 ZINC000574771701 483993997 /nfs/dbraw/zinc/99/39/97/483993997.db2.gz VJMOQBIKUUGATI-GJZGRUSLSA-N 2 0 353.467 -0.559 20 0 FBADRP COCCC[NH+]1CCC(NC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC1 ZINC000574771703 483993074 /nfs/dbraw/zinc/99/30/74/483993074.db2.gz VJMOQBIKUUGATI-HUUCEWRRSA-N 2 0 353.467 -0.559 20 0 FBADRP COCCC[NH+]1CCC(NC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC1 ZINC000574771704 483992908 /nfs/dbraw/zinc/99/29/08/483992908.db2.gz VJMOQBIKUUGATI-LSDHHAIUSA-N 2 0 353.467 -0.559 20 0 FBADRP CN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000574821618 484088609 /nfs/dbraw/zinc/08/86/09/484088609.db2.gz HEYJDFAJSFSDCJ-UHFFFAOYSA-N 2 0 350.467 0.498 20 0 FBADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000574921398 484261234 /nfs/dbraw/zinc/26/12/34/484261234.db2.gz YEJDSTRQJLDNLE-GDBMZVCRSA-N 2 0 364.490 -0.044 20 0 FBADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000574921399 484262249 /nfs/dbraw/zinc/26/22/49/484262249.db2.gz YEJDSTRQJLDNLE-GOEBONIOSA-N 2 0 364.490 -0.044 20 0 FBADRP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000574921400 484261832 /nfs/dbraw/zinc/26/18/32/484261832.db2.gz YEJDSTRQJLDNLE-HOCLYGCPSA-N 2 0 364.490 -0.044 20 0 FBADRP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000574921401 484262038 /nfs/dbraw/zinc/26/20/38/484262038.db2.gz YEJDSTRQJLDNLE-ZBFHGGJFSA-N 2 0 364.490 -0.044 20 0 FBADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000574975875 484288303 /nfs/dbraw/zinc/28/83/03/484288303.db2.gz DBCCTHUWRVHHGU-HNNXBMFYSA-N 2 0 367.494 -0.981 20 0 FBADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000574975876 484287927 /nfs/dbraw/zinc/28/79/27/484287927.db2.gz DBCCTHUWRVHHGU-OAHLLOKOSA-N 2 0 367.494 -0.981 20 0 FBADRP CN1CCN(C(=O)C(=O)NCc2ccc(CC[NH+](C)C)cc2)[C@@H](C[NH3+])C1 ZINC000575028290 484290184 /nfs/dbraw/zinc/29/01/84/484290184.db2.gz BDEGBQLQNBDXAZ-KRWDZBQOSA-N 2 0 361.490 -0.492 20 0 FBADRP CN1CCN(C(=O)C(=O)NCc2ccc(CC[NH+](C)C)cc2)[C@H](C[NH3+])C1 ZINC000575028291 484288926 /nfs/dbraw/zinc/28/89/26/484288926.db2.gz BDEGBQLQNBDXAZ-QGZVFWFLSA-N 2 0 361.490 -0.492 20 0 FBADRP COC(CNC(=O)C[NH+]1CC[C@H](C)C1)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000575070743 484002951 /nfs/dbraw/zinc/00/29/51/484002951.db2.gz FUXKVBMAUOBRCA-GJZGRUSLSA-N 2 0 354.495 -0.083 20 0 FBADRP COC(CNC(=O)C[NH+]1CC[C@@H](C)C1)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000575070747 484002345 /nfs/dbraw/zinc/00/23/45/484002345.db2.gz FUXKVBMAUOBRCA-HUUCEWRRSA-N 2 0 354.495 -0.083 20 0 FBADRP CO[C@H](CNC(=O)C[NH+]1CC[C@@H](C)C1)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000575070748 484003186 /nfs/dbraw/zinc/00/31/86/484003186.db2.gz FUXKVBMAUOBRCA-MUJYYYPQSA-N 2 0 354.495 -0.083 20 0 FBADRP C[C@H]1C[NH+](CCC2CCN(C(=O)C(=O)NC3C[NH2+]C3)CC2)C[C@H](C)O1 ZINC000575109683 483932864 /nfs/dbraw/zinc/93/28/64/483932864.db2.gz HMFQMIRIWJXBKR-KBPBESRZSA-N 2 0 352.479 -0.188 20 0 FBADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)C(=O)NC3C[NH2+]C3)CC2)C[C@H](C)O1 ZINC000575109684 483933035 /nfs/dbraw/zinc/93/30/35/483933035.db2.gz HMFQMIRIWJXBKR-OKILXGFUSA-N 2 0 352.479 -0.188 20 0 FBADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)C(=O)NC3C[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000575109685 483933202 /nfs/dbraw/zinc/93/32/02/483933202.db2.gz HMFQMIRIWJXBKR-ZIAGYGMSSA-N 2 0 352.479 -0.188 20 0 FBADRP CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(C)C[C@@H]2C[NH3+])cc1 ZINC000575179165 484008055 /nfs/dbraw/zinc/00/80/55/484008055.db2.gz ITJXYBFZRJJJPT-AWEZNQCLSA-N 2 0 354.476 -0.371 20 0 FBADRP CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(C)C[C@H]2C[NH3+])cc1 ZINC000575179166 484007701 /nfs/dbraw/zinc/00/77/01/484007701.db2.gz ITJXYBFZRJJJPT-CQSZACIVSA-N 2 0 354.476 -0.371 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN(CCO)C[C@H]2C)CC1=O ZINC000575333835 484014395 /nfs/dbraw/zinc/01/43/95/484014395.db2.gz AZCKEJDTOGGBAE-BRWVUGGUSA-N 2 0 366.506 -0.156 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN(CCO)C[C@@H]2C)CC1=O ZINC000575333837 484013647 /nfs/dbraw/zinc/01/36/47/484013647.db2.gz AZCKEJDTOGGBAE-GVDBMIGSSA-N 2 0 366.506 -0.156 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN(CCO)C[C@H]2C)CC1=O ZINC000575333838 484014570 /nfs/dbraw/zinc/01/45/70/484014570.db2.gz AZCKEJDTOGGBAE-IXDOHACOSA-N 2 0 366.506 -0.156 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN(CCO)C[C@@H]2C)CC1=O ZINC000575333839 484013374 /nfs/dbraw/zinc/01/33/74/484013374.db2.gz AZCKEJDTOGGBAE-YESZJQIVSA-N 2 0 366.506 -0.156 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H](OC(F)F)C1 ZINC000575340347 484014118 /nfs/dbraw/zinc/01/41/18/484014118.db2.gz OSWGAMKWVXCIKT-LBPRGKRZSA-N 2 0 350.410 -0.222 20 0 FBADRP O=C1CC[C@H]([NH2+]C[C@@H](O)C[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC2)[C@@H](C2CC2)N1 ZINC000575411497 484018794 /nfs/dbraw/zinc/01/87/94/484018794.db2.gz PBHNCYXVHMQTNS-BCCBVXTOSA-N 2 0 364.490 -0.359 20 0 FBADRP O=C1CC[C@@H]([NH2+]C[C@H](O)C[NH2+][C@H]2CCC(=O)N[C@H]2C2CC2)[C@@H](C2CC2)N1 ZINC000575411498 484017819 /nfs/dbraw/zinc/01/78/19/484017819.db2.gz PBHNCYXVHMQTNS-BGEMRTGESA-N 2 0 364.490 -0.359 20 0 FBADRP O=C1CC[C@@H]([NH2+]C[C@H](O)C[NH2+][C@H]2CCC(=O)N[C@H]2C2CC2)[C@H](C2CC2)N1 ZINC000575411499 484018379 /nfs/dbraw/zinc/01/83/79/484018379.db2.gz PBHNCYXVHMQTNS-HZMZCJTDSA-N 2 0 364.490 -0.359 20 0 FBADRP O=C1CC[C@@H]([NH2+]C[C@H](O)C[NH2+][C@H]2CCC(=O)N[C@@H]2C2CC2)[C@@H](C2CC2)N1 ZINC000575411500 484018749 /nfs/dbraw/zinc/01/87/49/484018749.db2.gz PBHNCYXVHMQTNS-KDQHYCTGSA-N 2 0 364.490 -0.359 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000575460224 484020854 /nfs/dbraw/zinc/02/08/54/484020854.db2.gz VWEUWOGYTBPUMJ-DLBZAZTESA-N 2 0 365.522 -0.175 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000575460225 484020418 /nfs/dbraw/zinc/02/04/18/484020418.db2.gz VWEUWOGYTBPUMJ-IAGOWNOFSA-N 2 0 365.522 -0.175 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000575460226 484020285 /nfs/dbraw/zinc/02/02/85/484020285.db2.gz VWEUWOGYTBPUMJ-IRXDYDNUSA-N 2 0 365.522 -0.175 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000575460227 484019671 /nfs/dbraw/zinc/01/96/71/484019671.db2.gz VWEUWOGYTBPUMJ-SJORKVTESA-N 2 0 365.522 -0.175 20 0 FBADRP CN(C(=O)C(=O)NC1C[NH2+]C1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000575735085 484022522 /nfs/dbraw/zinc/02/25/22/484022522.db2.gz OYFVCROAMQOXSH-DLBZAZTESA-N 2 0 365.522 -0.130 20 0 FBADRP CN(C(=O)C(=O)NC1C[NH2+]C1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000575735086 484023357 /nfs/dbraw/zinc/02/33/57/484023357.db2.gz OYFVCROAMQOXSH-IAGOWNOFSA-N 2 0 365.522 -0.130 20 0 FBADRP CN(C(=O)C(=O)NC1C[NH2+]C1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000575735087 484022772 /nfs/dbraw/zinc/02/27/72/484022772.db2.gz OYFVCROAMQOXSH-IRXDYDNUSA-N 2 0 365.522 -0.130 20 0 FBADRP CN(C(=O)C(=O)NC1C[NH2+]C1)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000575735088 484022427 /nfs/dbraw/zinc/02/24/27/484022427.db2.gz OYFVCROAMQOXSH-SJORKVTESA-N 2 0 365.522 -0.130 20 0 FBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@H]2C[C@@H](C(=O)OC(C)(C)C)C[C@H]2O)CC1 ZINC000575748959 484023213 /nfs/dbraw/zinc/02/32/13/484023213.db2.gz JRVWVGJIRBQVRH-QBPKDAKJSA-N 2 0 371.522 -0.087 20 0 FBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@H]2C[C@H](C(=O)OC(C)(C)C)C[C@H]2O)CC1 ZINC000575748960 484023014 /nfs/dbraw/zinc/02/30/14/484023014.db2.gz JRVWVGJIRBQVRH-VVLHAWIVSA-N 2 0 371.522 -0.087 20 0 FBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@H]2C[C@@H](C(=O)OC(C)(C)C)C[C@H]2O)CC1 ZINC000575748961 484022151 /nfs/dbraw/zinc/02/21/51/484022151.db2.gz JRVWVGJIRBQVRH-WCXIOVBPSA-N 2 0 371.522 -0.087 20 0 FBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@H]2C[C@H](C(=O)OC(C)(C)C)C[C@H]2O)CC1 ZINC000575748962 484022849 /nfs/dbraw/zinc/02/28/49/484022849.db2.gz JRVWVGJIRBQVRH-YLFCFFPRSA-N 2 0 371.522 -0.087 20 0 FBADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000575794128 484025192 /nfs/dbraw/zinc/02/51/92/484025192.db2.gz KXFWACLSEQJRRO-BRWVUGGUSA-N 2 0 363.506 -0.565 20 0 FBADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000575794130 484024564 /nfs/dbraw/zinc/02/45/64/484024564.db2.gz KXFWACLSEQJRRO-GVDBMIGSSA-N 2 0 363.506 -0.565 20 0 FBADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C1 ZINC000575794131 484024417 /nfs/dbraw/zinc/02/44/17/484024417.db2.gz KXFWACLSEQJRRO-IXDOHACOSA-N 2 0 363.506 -0.565 20 0 FBADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C1 ZINC000575794132 484025282 /nfs/dbraw/zinc/02/52/82/484025282.db2.gz KXFWACLSEQJRRO-YESZJQIVSA-N 2 0 363.506 -0.565 20 0 FBADRP C[NH+]1CCN(c2ncccc2CNC(=O)c2cn(CCC[NH3+])nn2)CC1 ZINC000575799563 484027068 /nfs/dbraw/zinc/02/70/68/484027068.db2.gz LSRWMZYISIUGTQ-UHFFFAOYSA-N 2 0 358.450 -0.296 20 0 FBADRP CN(C)S(=O)(=O)CC(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000575802841 484026294 /nfs/dbraw/zinc/02/62/94/484026294.db2.gz WMIJMBRYLPNYEZ-UHFFFAOYSA-N 2 0 368.503 -0.013 20 0 FBADRP CN1CCN(C(=O)C(=O)NCCC[N@H+](C)C2CCCCC2)[C@@H](C[NH3+])C1 ZINC000575854473 484029928 /nfs/dbraw/zinc/02/99/28/484029928.db2.gz LHRPJVQRHVBKNK-INIZCTEOSA-N 2 0 353.511 -0.142 20 0 FBADRP CN1CCN(C(=O)C(=O)NCCC[N@H+](C)C2CCCCC2)[C@H](C[NH3+])C1 ZINC000575854474 484030730 /nfs/dbraw/zinc/03/07/30/484030730.db2.gz LHRPJVQRHVBKNK-MRXNPFEDSA-N 2 0 353.511 -0.142 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000575856268 484029765 /nfs/dbraw/zinc/02/97/65/484029765.db2.gz RLACAEBPQINSGU-DLBZAZTESA-N 2 0 365.522 -0.175 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000575856269 484030047 /nfs/dbraw/zinc/03/00/47/484030047.db2.gz RLACAEBPQINSGU-IAGOWNOFSA-N 2 0 365.522 -0.175 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000575856270 484030194 /nfs/dbraw/zinc/03/01/94/484030194.db2.gz RLACAEBPQINSGU-IRXDYDNUSA-N 2 0 365.522 -0.175 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000575856271 484030086 /nfs/dbraw/zinc/03/00/86/484030086.db2.gz RLACAEBPQINSGU-SJORKVTESA-N 2 0 365.522 -0.175 20 0 FBADRP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000575905151 484033883 /nfs/dbraw/zinc/03/38/83/484033883.db2.gz ISWUTOCXBJOMFW-INIZCTEOSA-N 2 0 364.490 -0.090 20 0 FBADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000575905152 484033359 /nfs/dbraw/zinc/03/33/59/484033359.db2.gz ISWUTOCXBJOMFW-MRXNPFEDSA-N 2 0 364.490 -0.090 20 0 FBADRP CO[C@@H]1CCN(CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)[C@H](C[NH3+])C1 ZINC000575925906 484033687 /nfs/dbraw/zinc/03/36/87/484033687.db2.gz DSCLGMMCULHGDU-BBWFWOEESA-N 2 0 356.511 -0.103 20 0 FBADRP CO[C@@H]1CCN(CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)[C@@H](C[NH3+])C1 ZINC000575925907 484034341 /nfs/dbraw/zinc/03/43/41/484034341.db2.gz DSCLGMMCULHGDU-BRWVUGGUSA-N 2 0 356.511 -0.103 20 0 FBADRP CO[C@@H]1CCN(CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)[C@H](C[NH3+])C1 ZINC000575925908 484034052 /nfs/dbraw/zinc/03/40/52/484034052.db2.gz DSCLGMMCULHGDU-GVDBMIGSSA-N 2 0 356.511 -0.103 20 0 FBADRP CO[C@@H]1CCN(CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)[C@@H](C[NH3+])C1 ZINC000575925909 484033095 /nfs/dbraw/zinc/03/30/95/484033095.db2.gz DSCLGMMCULHGDU-ZACQAIPSSA-N 2 0 356.511 -0.103 20 0 FBADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)C1 ZINC000575980440 484036444 /nfs/dbraw/zinc/03/64/44/484036444.db2.gz QXXKZGJCKMQMMY-NCOADZHNSA-N 2 0 366.506 -0.110 20 0 FBADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)C1 ZINC000575980441 484036481 /nfs/dbraw/zinc/03/64/81/484036481.db2.gz QXXKZGJCKMQMMY-QAETUUGQSA-N 2 0 366.506 -0.110 20 0 FBADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)C1 ZINC000575980442 484037607 /nfs/dbraw/zinc/03/76/07/484037607.db2.gz QXXKZGJCKMQMMY-QZWWFDLISA-N 2 0 366.506 -0.110 20 0 FBADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)C1 ZINC000575980443 484037382 /nfs/dbraw/zinc/03/73/82/484037382.db2.gz QXXKZGJCKMQMMY-YVSFHVDLSA-N 2 0 366.506 -0.110 20 0 FBADRP [NH3+][C@H]1C[C@@H]2CN(C(=O)NCC3([NH+]4CCCC4)CCOCC3)CCN2C1=O ZINC000576004695 484039750 /nfs/dbraw/zinc/03/97/50/484039750.db2.gz SEAGEIKNBIKMMI-CABCVRRESA-N 2 0 365.478 -0.415 20 0 FBADRP [NH3+][C@H]1C[C@H]2CN(C(=O)NCC3([NH+]4CCCC4)CCOCC3)CCN2C1=O ZINC000576004696 484038670 /nfs/dbraw/zinc/03/86/70/484038670.db2.gz SEAGEIKNBIKMMI-GJZGRUSLSA-N 2 0 365.478 -0.415 20 0 FBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NCC3([NH+]4CCCC4)CCOCC3)CCN2C1=O ZINC000576004697 484039391 /nfs/dbraw/zinc/03/93/91/484039391.db2.gz SEAGEIKNBIKMMI-HUUCEWRRSA-N 2 0 365.478 -0.415 20 0 FBADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)NCC3([NH+]4CCCC4)CCOCC3)CCN2C1=O ZINC000576004698 484038507 /nfs/dbraw/zinc/03/85/07/484038507.db2.gz SEAGEIKNBIKMMI-LSDHHAIUSA-N 2 0 365.478 -0.415 20 0 FBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCCCC[NH+]3CCOCC3)[C@H]2C1 ZINC000576008057 484039684 /nfs/dbraw/zinc/03/96/84/484039684.db2.gz HGSAPXMMAJABIO-CVEARBPZSA-N 2 0 352.479 -0.232 20 0 FBADRP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)NCCCC[NH+]3CCOCC3)[C@H]2C1 ZINC000576008058 484039184 /nfs/dbraw/zinc/03/91/84/484039184.db2.gz HGSAPXMMAJABIO-HOTGVXAUSA-N 2 0 352.479 -0.232 20 0 FBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCCCC[NH+]3CCOCC3)[C@@H]2C1 ZINC000576008059 484039494 /nfs/dbraw/zinc/03/94/94/484039494.db2.gz HGSAPXMMAJABIO-HZPDHXFCSA-N 2 0 352.479 -0.232 20 0 FBADRP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)NCCCC[NH+]3CCOCC3)[C@@H]2C1 ZINC000576008060 484039336 /nfs/dbraw/zinc/03/93/36/484039336.db2.gz HGSAPXMMAJABIO-JKSUJKDBSA-N 2 0 352.479 -0.232 20 0 FBADRP CN1CCN(C(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)[C@@H](C[NH3+])C1 ZINC000576015899 484039267 /nfs/dbraw/zinc/03/92/67/484039267.db2.gz CLWOMQZUIBDIOS-KRWDZBQOSA-N 2 0 373.501 -0.697 20 0 FBADRP CN1CCN(C(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)[C@H](C[NH3+])C1 ZINC000576015900 484038558 /nfs/dbraw/zinc/03/85/58/484038558.db2.gz CLWOMQZUIBDIOS-QGZVFWFLSA-N 2 0 373.501 -0.697 20 0 FBADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000576015966 484038959 /nfs/dbraw/zinc/03/89/59/484038959.db2.gz OOOCWLXSIOFDCG-BPQIPLTHSA-N 2 0 373.501 -0.276 20 0 FBADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000576015967 484038599 /nfs/dbraw/zinc/03/85/99/484038599.db2.gz OOOCWLXSIOFDCG-KBAYOESNSA-N 2 0 373.501 -0.276 20 0 FBADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000576015968 484039087 /nfs/dbraw/zinc/03/90/87/484039087.db2.gz OOOCWLXSIOFDCG-NJAFHUGGSA-N 2 0 373.501 -0.276 20 0 FBADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000576015969 484038898 /nfs/dbraw/zinc/03/88/98/484038898.db2.gz OOOCWLXSIOFDCG-NXHRZFHOSA-N 2 0 373.501 -0.276 20 0 FBADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000576054307 484043080 /nfs/dbraw/zinc/04/30/80/484043080.db2.gz YQAMIPPEVYDWTI-CABCVRRESA-N 2 0 373.457 -0.234 20 0 FBADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000576054308 484043163 /nfs/dbraw/zinc/04/31/63/484043163.db2.gz YQAMIPPEVYDWTI-GJZGRUSLSA-N 2 0 373.457 -0.234 20 0 FBADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000576054309 484043299 /nfs/dbraw/zinc/04/32/99/484043299.db2.gz YQAMIPPEVYDWTI-HUUCEWRRSA-N 2 0 373.457 -0.234 20 0 FBADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000576054310 484042848 /nfs/dbraw/zinc/04/28/48/484042848.db2.gz YQAMIPPEVYDWTI-LSDHHAIUSA-N 2 0 373.457 -0.234 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000576087143 484042818 /nfs/dbraw/zinc/04/28/18/484042818.db2.gz JBAHAIJEMYRGIM-INIZCTEOSA-N 3 0 353.511 -0.365 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000576087144 484042874 /nfs/dbraw/zinc/04/28/74/484042874.db2.gz JBAHAIJEMYRGIM-MRXNPFEDSA-N 3 0 353.511 -0.365 20 0 FBADRP CCO[C@H]1COCC[C@H]1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000576253037 484051291 /nfs/dbraw/zinc/05/12/91/484051291.db2.gz RDDBYSKKSLPCFZ-CABCVRRESA-N 2 0 358.483 -0.752 20 0 FBADRP CCO[C@H]1COCC[C@@H]1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000576253038 484051377 /nfs/dbraw/zinc/05/13/77/484051377.db2.gz RDDBYSKKSLPCFZ-GJZGRUSLSA-N 2 0 358.483 -0.752 20 0 FBADRP CCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000576253039 484051640 /nfs/dbraw/zinc/05/16/40/484051640.db2.gz RDDBYSKKSLPCFZ-HUUCEWRRSA-N 2 0 358.483 -0.752 20 0 FBADRP CCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000576253040 484051724 /nfs/dbraw/zinc/05/17/24/484051724.db2.gz RDDBYSKKSLPCFZ-LSDHHAIUSA-N 2 0 358.483 -0.752 20 0 FBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000576258251 484051266 /nfs/dbraw/zinc/05/12/66/484051266.db2.gz BVXGEIVWNPQFKB-AWEZNQCLSA-N 2 0 369.510 -0.498 20 0 FBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000576258252 484052105 /nfs/dbraw/zinc/05/21/05/484052105.db2.gz BVXGEIVWNPQFKB-CQSZACIVSA-N 2 0 369.510 -0.498 20 0 FBADRP CN(CC[NH+](C)C)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000576260045 484051542 /nfs/dbraw/zinc/05/15/42/484051542.db2.gz SEIBJNIHFQMHML-CVEARBPZSA-N 2 0 354.495 -0.110 20 0 FBADRP CN(CC[NH+](C)C)C(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000576260046 484053866 /nfs/dbraw/zinc/05/38/66/484053866.db2.gz SEIBJNIHFQMHML-HOTGVXAUSA-N 2 0 354.495 -0.110 20 0 FBADRP CN(CC[NH+](C)C)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000576260047 484053077 /nfs/dbraw/zinc/05/30/77/484053077.db2.gz SEIBJNIHFQMHML-HZPDHXFCSA-N 2 0 354.495 -0.110 20 0 FBADRP CN(CC[NH+](C)C)C(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000576260100 484052872 /nfs/dbraw/zinc/05/28/72/484052872.db2.gz SEIBJNIHFQMHML-JKSUJKDBSA-N 2 0 354.495 -0.110 20 0 FBADRP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3CC[NH2+]C3)cn2)CC1 ZINC000576293099 484054977 /nfs/dbraw/zinc/05/49/77/484054977.db2.gz IEODBRLNDHXENH-HNNXBMFYSA-N 2 0 360.462 -0.682 20 0 FBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000576346572 484057609 /nfs/dbraw/zinc/05/76/09/484057609.db2.gz MOWMBCLCKGHPBX-FXUDXRNXSA-N 2 0 353.511 -0.287 20 0 FBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000576346578 484057454 /nfs/dbraw/zinc/05/74/54/484057454.db2.gz MOWMBCLCKGHPBX-UGUYLWEFSA-N 2 0 353.511 -0.287 20 0 FBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000576346580 484056590 /nfs/dbraw/zinc/05/65/90/484056590.db2.gz MOWMBCLCKGHPBX-VGWMRTNUSA-N 2 0 353.511 -0.287 20 0 FBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000576346582 484056511 /nfs/dbraw/zinc/05/65/11/484056511.db2.gz MOWMBCLCKGHPBX-YHUYYLMFSA-N 2 0 353.511 -0.287 20 0 FBADRP COC[C@]1(C(=O)Nc2cccc(S(=O)(=O)NCC[NH3+])c2)CC[NH2+]C1 ZINC000576346641 484057750 /nfs/dbraw/zinc/05/77/50/484057750.db2.gz SHQLSFXLLZAOSE-HNNXBMFYSA-N 2 0 356.448 -0.512 20 0 FBADRP COC[C@@]1(C(=O)Nc2cccc(S(=O)(=O)NCC[NH3+])c2)CC[NH2+]C1 ZINC000576346642 484056614 /nfs/dbraw/zinc/05/66/14/484056614.db2.gz SHQLSFXLLZAOSE-OAHLLOKOSA-N 2 0 356.448 -0.512 20 0 FBADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)c1ccccc1 ZINC000576530218 484066427 /nfs/dbraw/zinc/06/64/27/484066427.db2.gz PJVDJRLVTISOEK-ARFHVFGLSA-N 2 0 373.457 -0.824 20 0 FBADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)c1ccccc1 ZINC000576530221 484065500 /nfs/dbraw/zinc/06/55/00/484065500.db2.gz PJVDJRLVTISOEK-BZUAXINKSA-N 2 0 373.457 -0.824 20 0 FBADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)c1ccccc1 ZINC000576530223 484066151 /nfs/dbraw/zinc/06/61/51/484066151.db2.gz PJVDJRLVTISOEK-HRCADAONSA-N 2 0 373.457 -0.824 20 0 FBADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)c1ccccc1 ZINC000576530225 484066553 /nfs/dbraw/zinc/06/65/53/484066553.db2.gz PJVDJRLVTISOEK-OWCLPIDISA-N 2 0 373.457 -0.824 20 0 FBADRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000576626904 484069071 /nfs/dbraw/zinc/06/90/71/484069071.db2.gz RONFOAXOOHILHK-BRWVUGGUSA-N 2 0 363.506 -0.422 20 0 FBADRP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000576626905 484069247 /nfs/dbraw/zinc/06/92/47/484069247.db2.gz RONFOAXOOHILHK-IKGGRYGDSA-N 2 0 363.506 -0.422 20 0 FBADRP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000576626906 484069385 /nfs/dbraw/zinc/06/93/85/484069385.db2.gz RONFOAXOOHILHK-IXDOHACOSA-N 2 0 363.506 -0.422 20 0 FBADRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000576626907 484069663 /nfs/dbraw/zinc/06/96/63/484069663.db2.gz RONFOAXOOHILHK-ZACQAIPSSA-N 2 0 363.506 -0.422 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC1 ZINC000576650235 484071568 /nfs/dbraw/zinc/07/15/68/484071568.db2.gz XIOACWPNMYZFMC-BZUAXINKSA-N 2 0 366.510 -0.787 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC1 ZINC000576650236 484071523 /nfs/dbraw/zinc/07/15/23/484071523.db2.gz XIOACWPNMYZFMC-OAGGEKHMSA-N 2 0 366.510 -0.787 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC1 ZINC000576650237 484071005 /nfs/dbraw/zinc/07/10/05/484071005.db2.gz XIOACWPNMYZFMC-OWCLPIDISA-N 2 0 366.510 -0.787 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC1 ZINC000576650238 484071747 /nfs/dbraw/zinc/07/17/47/484071747.db2.gz XIOACWPNMYZFMC-PMPSAXMXSA-N 2 0 366.510 -0.787 20 0 FBADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)CCNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000576701896 484074265 /nfs/dbraw/zinc/07/42/65/484074265.db2.gz MZKQTMFDRWQSTH-DLBZAZTESA-N 2 0 365.522 -0.128 20 0 FBADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)CCNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000576701903 484074534 /nfs/dbraw/zinc/07/45/34/484074534.db2.gz MZKQTMFDRWQSTH-IAGOWNOFSA-N 2 0 365.522 -0.128 20 0 FBADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)CCNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000576701993 484075211 /nfs/dbraw/zinc/07/52/11/484075211.db2.gz MZKQTMFDRWQSTH-IRXDYDNUSA-N 2 0 365.522 -0.128 20 0 FBADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)CCNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000576701994 484075158 /nfs/dbraw/zinc/07/51/58/484075158.db2.gz MZKQTMFDRWQSTH-SJORKVTESA-N 2 0 365.522 -0.128 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H]2C[NH2+]CCN2C)CC1=O ZINC000576706982 484075222 /nfs/dbraw/zinc/07/52/22/484075222.db2.gz HCUPEJABUZUAJW-ARFHVFGLSA-N 2 0 351.495 -0.661 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H]2C[NH2+]CCN2C)CC1=O ZINC000576706983 484074680 /nfs/dbraw/zinc/07/46/80/484074680.db2.gz HCUPEJABUZUAJW-BZUAXINKSA-N 2 0 351.495 -0.661 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H]2C[NH2+]CCN2C)CC1=O ZINC000576706984 484074891 /nfs/dbraw/zinc/07/48/91/484074891.db2.gz HCUPEJABUZUAJW-OAGGEKHMSA-N 2 0 351.495 -0.661 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@H]2C[NH2+]CCN2C)CC1=O ZINC000576706985 484074290 /nfs/dbraw/zinc/07/42/90/484074290.db2.gz HCUPEJABUZUAJW-XHSDSOJGSA-N 2 0 351.495 -0.661 20 0 FBADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000576732831 484076470 /nfs/dbraw/zinc/07/64/70/484076470.db2.gz QLZFVRKTUPFICW-CVEARBPZSA-N 2 0 353.511 -0.286 20 0 FBADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000576732840 484075770 /nfs/dbraw/zinc/07/57/70/484075770.db2.gz QLZFVRKTUPFICW-HOTGVXAUSA-N 2 0 353.511 -0.286 20 0 FBADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000576732842 484077047 /nfs/dbraw/zinc/07/70/47/484077047.db2.gz QLZFVRKTUPFICW-HZPDHXFCSA-N 2 0 353.511 -0.286 20 0 FBADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000576732844 484076329 /nfs/dbraw/zinc/07/63/29/484076329.db2.gz QLZFVRKTUPFICW-JKSUJKDBSA-N 2 0 353.511 -0.286 20 0 FBADRP Cc1nc(Cn2nnc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c2C)no1 ZINC000576800131 484079839 /nfs/dbraw/zinc/07/98/39/484079839.db2.gz OCBHRTNKMKTCEQ-UHFFFAOYSA-N 2 0 364.454 -0.108 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000576802631 484080420 /nfs/dbraw/zinc/08/04/20/484080420.db2.gz JHXCHAGLTUVSDR-KRWDZBQOSA-N 3 0 367.538 -0.118 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000576802632 484080330 /nfs/dbraw/zinc/08/03/30/484080330.db2.gz JHXCHAGLTUVSDR-QGZVFWFLSA-N 3 0 367.538 -0.118 20 0 FBADRP Cc1cc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc(C(N)=O)c1 ZINC000576916617 484086075 /nfs/dbraw/zinc/08/60/75/484086075.db2.gz LYAGFXMSGCCKMM-UHFFFAOYSA-N 2 0 363.462 -0.016 20 0 FBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000576937115 484085215 /nfs/dbraw/zinc/08/52/15/484085215.db2.gz WACCFWRITKHJQV-HNNXBMFYSA-N 2 0 360.458 -0.129 20 0 FBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000576937118 484086278 /nfs/dbraw/zinc/08/62/78/484086278.db2.gz WACCFWRITKHJQV-OAHLLOKOSA-N 2 0 360.458 -0.129 20 0 FBADRP C[C@H]1CN(CCO)CCN1C(=O)NC[C@]1(N2CCOCC2)CCSC1 ZINC000576949014 484085095 /nfs/dbraw/zinc/08/50/95/484085095.db2.gz UYYOHDZWRWKNSR-DOTOQJQBSA-N 2 0 372.535 -0.098 20 0 FBADRP C[C@@H]1CN(CCO)CCN1C(=O)NC[C@]1(N2CCOCC2)CCSC1 ZINC000576949015 484085692 /nfs/dbraw/zinc/08/56/92/484085692.db2.gz UYYOHDZWRWKNSR-NVXWUHKLSA-N 2 0 372.535 -0.098 20 0 FBADRP C[C@H]1CN(CCO)CCN1C(=O)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000576949016 484086208 /nfs/dbraw/zinc/08/62/08/484086208.db2.gz UYYOHDZWRWKNSR-RDJZCZTQSA-N 2 0 372.535 -0.098 20 0 FBADRP C[C@@H]1CN(CCO)CCN1C(=O)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000576949017 484085454 /nfs/dbraw/zinc/08/54/54/484085454.db2.gz UYYOHDZWRWKNSR-WBVHZDCISA-N 2 0 372.535 -0.098 20 0 FBADRP CC1CC[NH+](CCCCNC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])CC1 ZINC000577048033 484094809 /nfs/dbraw/zinc/09/48/09/484094809.db2.gz QIDNTXVMSFBYDB-INIZCTEOSA-N 2 0 353.511 -0.284 20 0 FBADRP CC1CC[NH+](CCCCNC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])CC1 ZINC000577048034 484094761 /nfs/dbraw/zinc/09/47/61/484094761.db2.gz QIDNTXVMSFBYDB-MRXNPFEDSA-N 2 0 353.511 -0.284 20 0 FBADRP CC[NH+](CC)CC1CCN(C(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])CC1 ZINC000577054377 484094063 /nfs/dbraw/zinc/09/40/63/484094063.db2.gz FWFKUOSZKILNFU-INIZCTEOSA-N 2 0 353.511 -0.332 20 0 FBADRP CC[NH+](CC)CC1CCN(C(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])CC1 ZINC000577054378 484094564 /nfs/dbraw/zinc/09/45/64/484094564.db2.gz FWFKUOSZKILNFU-MRXNPFEDSA-N 2 0 353.511 -0.332 20 0 FBADRP CN1CCN(C(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)[C@@H](C[NH3+])C1 ZINC000577095476 484098386 /nfs/dbraw/zinc/09/83/86/484098386.db2.gz UBKCEXXRNKFEBC-CVEARBPZSA-N 2 0 351.495 -0.722 20 0 FBADRP CN1CCN(C(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)[C@@H](C[NH3+])C1 ZINC000577095477 484098922 /nfs/dbraw/zinc/09/89/22/484098922.db2.gz UBKCEXXRNKFEBC-HOTGVXAUSA-N 2 0 351.495 -0.722 20 0 FBADRP CN1CCN(C(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)[C@H](C[NH3+])C1 ZINC000577095478 484099232 /nfs/dbraw/zinc/09/92/32/484099232.db2.gz UBKCEXXRNKFEBC-HZPDHXFCSA-N 2 0 351.495 -0.722 20 0 FBADRP CN1CCN(C(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)[C@H](C[NH3+])C1 ZINC000577095479 484098198 /nfs/dbraw/zinc/09/81/98/484098198.db2.gz UBKCEXXRNKFEBC-JKSUJKDBSA-N 2 0 351.495 -0.722 20 0 FBADRP CN(C(=O)c1ccc(N)cn1)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000577108861 484099985 /nfs/dbraw/zinc/09/99/85/484099985.db2.gz FHQBUUNAQVOBMF-UHFFFAOYSA-N 2 0 374.489 -0.026 20 0 FBADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCN(CC(C)(C)O)CC1 ZINC000577144224 484101492 /nfs/dbraw/zinc/10/14/92/484101492.db2.gz ARWNXSPICVQTHU-DZGCQCFKSA-N 2 0 352.479 -0.500 20 0 FBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN(CC(C)(C)O)CC1 ZINC000577144225 484101973 /nfs/dbraw/zinc/10/19/73/484101973.db2.gz ARWNXSPICVQTHU-HIFRSBDPSA-N 2 0 352.479 -0.500 20 0 FBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCN(CC(C)(C)O)CC1 ZINC000577144226 484101297 /nfs/dbraw/zinc/10/12/97/484101297.db2.gz ARWNXSPICVQTHU-UKRRQHHQSA-N 2 0 352.479 -0.500 20 0 FBADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN(CC(C)(C)O)CC1 ZINC000577144227 484101751 /nfs/dbraw/zinc/10/17/51/484101751.db2.gz ARWNXSPICVQTHU-ZFWWWQNUSA-N 2 0 352.479 -0.500 20 0 FBADRP COC1CC[NH+](C(C)(C)CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC1 ZINC000577193047 484106891 /nfs/dbraw/zinc/10/68/91/484106891.db2.gz SPLVCIAGANEUDZ-DZGCQCFKSA-N 2 0 367.494 -0.171 20 0 FBADRP COC1CC[NH+](C(C)(C)CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC1 ZINC000577193050 484106158 /nfs/dbraw/zinc/10/61/58/484106158.db2.gz SPLVCIAGANEUDZ-HIFRSBDPSA-N 2 0 367.494 -0.171 20 0 FBADRP COC1CC[NH+](C(C)(C)CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC1 ZINC000577193051 484106596 /nfs/dbraw/zinc/10/65/96/484106596.db2.gz SPLVCIAGANEUDZ-UKRRQHHQSA-N 2 0 367.494 -0.171 20 0 FBADRP COC1CC[NH+](C(C)(C)CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC1 ZINC000577193053 484106477 /nfs/dbraw/zinc/10/64/77/484106477.db2.gz SPLVCIAGANEUDZ-ZFWWWQNUSA-N 2 0 367.494 -0.171 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@H]4C3)CC2)c1 ZINC000577214512 484108113 /nfs/dbraw/zinc/10/81/13/484108113.db2.gz FTMHRAPGWAPSOE-CABCVRRESA-N 2 0 373.457 -0.193 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@H]4C[NH2+]C[C@H]4C3)CC2)c1 ZINC000577214513 484108416 /nfs/dbraw/zinc/10/84/16/484108416.db2.gz FTMHRAPGWAPSOE-GJZGRUSLSA-N 2 0 373.457 -0.193 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)c1 ZINC000577214514 484107495 /nfs/dbraw/zinc/10/74/95/484107495.db2.gz FTMHRAPGWAPSOE-HUUCEWRRSA-N 2 0 373.457 -0.193 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@H]4C[NH2+]C[C@@H]4C3)CC2)c1 ZINC000577214515 484108178 /nfs/dbraw/zinc/10/81/78/484108178.db2.gz FTMHRAPGWAPSOE-LSDHHAIUSA-N 2 0 373.457 -0.193 20 0 FBADRP CC[C@@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000577242110 484107936 /nfs/dbraw/zinc/10/79/36/484107936.db2.gz SIXPZBNWSWAMPN-DOTOQJQBSA-N 2 0 370.519 -0.017 20 0 FBADRP CC[C@@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000577242111 484108074 /nfs/dbraw/zinc/10/80/74/484108074.db2.gz SIXPZBNWSWAMPN-NVXWUHKLSA-N 2 0 370.519 -0.017 20 0 FBADRP CC[C@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000577242112 484107768 /nfs/dbraw/zinc/10/77/68/484107768.db2.gz SIXPZBNWSWAMPN-RDJZCZTQSA-N 2 0 370.519 -0.017 20 0 FBADRP CC[C@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000577242113 484107851 /nfs/dbraw/zinc/10/78/51/484107851.db2.gz SIXPZBNWSWAMPN-WBVHZDCISA-N 2 0 370.519 -0.017 20 0 FBADRP C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1=CC[N@H+](C)CC1 ZINC000577247827 484110128 /nfs/dbraw/zinc/11/01/28/484110128.db2.gz PWUVDKSVAZPOSI-HNNXBMFYSA-N 3 0 353.511 -0.295 20 0 FBADRP C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1=CC[N@H+](C)CC1 ZINC000577247828 484109969 /nfs/dbraw/zinc/10/99/69/484109969.db2.gz PWUVDKSVAZPOSI-OAHLLOKOSA-N 3 0 353.511 -0.295 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC2(C1)CCOCC2 ZINC000577266278 484109044 /nfs/dbraw/zinc/10/90/44/484109044.db2.gz QDSINYHDQNQFBB-UHFFFAOYSA-N 2 0 354.495 -0.033 20 0 FBADRP C[NH+]1CCN(C[C@H](NC(=O)c2cn(CC[NH3+])nn2)c2ccccc2)CC1 ZINC000577296773 484111104 /nfs/dbraw/zinc/11/11/04/484111104.db2.gz NENRBCRXJFOGMK-INIZCTEOSA-N 2 0 357.462 -0.045 20 0 FBADRP C[NH+]1CCN(C[C@@H](NC(=O)c2cn(CC[NH3+])nn2)c2ccccc2)CC1 ZINC000577296774 484111370 /nfs/dbraw/zinc/11/13/70/484111370.db2.gz NENRBCRXJFOGMK-MRXNPFEDSA-N 2 0 357.462 -0.045 20 0 FBADRP CN(C)c1cccc(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)n1 ZINC000577298444 484111626 /nfs/dbraw/zinc/11/16/26/484111626.db2.gz NYLFJROQCHKEID-UHFFFAOYSA-N 2 0 364.494 -0.284 20 0 FBADRP CC[NH+]1CCC(CNC(=O)C(=O)N(C)CCCN2CC[NH+](C)CC2)CC1 ZINC000577303894 484111407 /nfs/dbraw/zinc/11/14/07/484111407.db2.gz VDYOYCOQLVCRSU-UHFFFAOYSA-N 2 0 367.538 -0.070 20 0 FBADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000577356876 484114451 /nfs/dbraw/zinc/11/44/51/484114451.db2.gz ZXODXTMJRORWEQ-CVEARBPZSA-N 2 0 353.511 -0.142 20 0 FBADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000577356877 484114261 /nfs/dbraw/zinc/11/42/61/484114261.db2.gz ZXODXTMJRORWEQ-HOTGVXAUSA-N 2 0 353.511 -0.142 20 0 FBADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000577356878 484114705 /nfs/dbraw/zinc/11/47/05/484114705.db2.gz ZXODXTMJRORWEQ-HZPDHXFCSA-N 2 0 353.511 -0.142 20 0 FBADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000577356879 484114070 /nfs/dbraw/zinc/11/40/70/484114070.db2.gz ZXODXTMJRORWEQ-JKSUJKDBSA-N 2 0 353.511 -0.142 20 0 FBADRP O=C(CNC(=O)N1CCCC[C@H]1CN1CCOCC1)N1CC[NH2+]CC1 ZINC000577367421 484113961 /nfs/dbraw/zinc/11/39/61/484113961.db2.gz FAFZSFBZLKJJCP-HNNXBMFYSA-N 2 0 353.467 -0.686 20 0 FBADRP O=C(CNC(=O)N1CCCC[C@@H]1CN1CCOCC1)N1CC[NH2+]CC1 ZINC000577367422 484114153 /nfs/dbraw/zinc/11/41/53/484114153.db2.gz FAFZSFBZLKJJCP-OAHLLOKOSA-N 2 0 353.467 -0.686 20 0 FBADRP C[C@H]([NH3+])CCC(=O)N(C)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000577375007 484114845 /nfs/dbraw/zinc/11/48/45/484114845.db2.gz OXPXZAFSXOVERO-HNNXBMFYSA-N 3 0 353.511 -0.189 20 0 FBADRP C[C@@H]([NH3+])CCC(=O)N(C)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000577375014 484114820 /nfs/dbraw/zinc/11/48/20/484114820.db2.gz OXPXZAFSXOVERO-OAHLLOKOSA-N 3 0 353.511 -0.189 20 0 FBADRP [NH3+][C@H]1C[C@@H]2CN(C(=O)CC[NH+]3CCN(c4ccccn4)CC3)CCN2C1=O ZINC000577388760 484113818 /nfs/dbraw/zinc/11/38/18/484113818.db2.gz MSEPKCGSZYDULZ-CVEARBPZSA-N 2 0 372.473 -0.636 20 0 FBADRP [NH3+][C@H]1C[C@H]2CN(C(=O)CC[NH+]3CCN(c4ccccn4)CC3)CCN2C1=O ZINC000577388761 484114788 /nfs/dbraw/zinc/11/47/88/484114788.db2.gz MSEPKCGSZYDULZ-HOTGVXAUSA-N 2 0 372.473 -0.636 20 0 FBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)CC[NH+]3CCN(c4ccccn4)CC3)CCN2C1=O ZINC000577388762 484114638 /nfs/dbraw/zinc/11/46/38/484114638.db2.gz MSEPKCGSZYDULZ-HZPDHXFCSA-N 2 0 372.473 -0.636 20 0 FBADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)CC[NH+]3CCN(c4ccccn4)CC3)CCN2C1=O ZINC000577388763 484114183 /nfs/dbraw/zinc/11/41/83/484114183.db2.gz MSEPKCGSZYDULZ-JKSUJKDBSA-N 2 0 372.473 -0.636 20 0 FBADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)CC1 ZINC000577467663 484117767 /nfs/dbraw/zinc/11/77/67/484117767.db2.gz JPNUBVGYZNCYGU-JKSUJKDBSA-N 2 0 352.479 -0.139 20 0 FBADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000577477915 484117440 /nfs/dbraw/zinc/11/74/40/484117440.db2.gz VYFSRASRMAUEQZ-HZMVEIRTSA-N 2 0 366.506 -0.015 20 0 FBADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000577477916 484117654 /nfs/dbraw/zinc/11/76/54/484117654.db2.gz VYFSRASRMAUEQZ-NXOAAHMSSA-N 2 0 366.506 -0.015 20 0 FBADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000577477917 484117735 /nfs/dbraw/zinc/11/77/35/484117735.db2.gz VYFSRASRMAUEQZ-TWMKSMIVSA-N 2 0 366.506 -0.015 20 0 FBADRP O[C@@H](C[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)CN1CCOCC1 ZINC000577485003 484119334 /nfs/dbraw/zinc/11/93/34/484119334.db2.gz ORCHKVLYTYTFFE-IBGZPJMESA-N 2 0 363.506 -0.124 20 0 FBADRP O[C@H](C[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)CN1CCOCC1 ZINC000577485008 484119396 /nfs/dbraw/zinc/11/93/96/484119396.db2.gz ORCHKVLYTYTFFE-LJQANCHMSA-N 2 0 363.506 -0.124 20 0 FBADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)NC1C[NH2+]C1 ZINC000577590353 484124055 /nfs/dbraw/zinc/12/40/55/484124055.db2.gz LWOYZDDPPYEPTI-UHFFFAOYSA-N 2 0 361.446 -0.136 20 0 FBADRP Cn1ccnc1CN1CCC[C@@H](NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)C1=O ZINC000577612774 484123601 /nfs/dbraw/zinc/12/36/01/484123601.db2.gz PWQIYKAZZVWONQ-CABCVRRESA-N 2 0 360.462 -0.583 20 0 FBADRP Cn1ccnc1CN1CCC[C@H](NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)C1=O ZINC000577612775 484124536 /nfs/dbraw/zinc/12/45/36/484124536.db2.gz PWQIYKAZZVWONQ-GJZGRUSLSA-N 2 0 360.462 -0.583 20 0 FBADRP Cn1ccnc1CN1CCC[C@@H](NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)C1=O ZINC000577612776 484123862 /nfs/dbraw/zinc/12/38/62/484123862.db2.gz PWQIYKAZZVWONQ-HUUCEWRRSA-N 2 0 360.462 -0.583 20 0 FBADRP C[NH+](C)CCN1C[C@@H](C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)CC1=O ZINC000577614887 484126457 /nfs/dbraw/zinc/12/64/57/484126457.db2.gz XZIOILHIMBUXLJ-GTPINHCMSA-N 2 0 365.522 -0.271 20 0 FBADRP C[NH+](C)CCN1C[C@H](C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)CC1=O ZINC000577614888 484125660 /nfs/dbraw/zinc/12/56/60/484125660.db2.gz XZIOILHIMBUXLJ-KLAILNCOSA-N 2 0 365.522 -0.271 20 0 FBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC([NH+](C)CCCO)CC1 ZINC000577679568 484129080 /nfs/dbraw/zinc/12/90/80/484129080.db2.gz SWAGTQXIQWIFHU-PBHICJAKSA-N 2 0 366.506 -0.110 20 0 FBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC([NH+](C)CCCO)CC1 ZINC000577679569 484128980 /nfs/dbraw/zinc/12/89/80/484128980.db2.gz SWAGTQXIQWIFHU-RHSMWYFYSA-N 2 0 366.506 -0.110 20 0 FBADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC([NH+](C)CCCO)CC1 ZINC000577679570 484129126 /nfs/dbraw/zinc/12/91/26/484129126.db2.gz SWAGTQXIQWIFHU-WMLDXEAASA-N 2 0 366.506 -0.110 20 0 FBADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC([NH+](C)CCCO)CC1 ZINC000577679571 484129522 /nfs/dbraw/zinc/12/95/22/484129522.db2.gz SWAGTQXIQWIFHU-YOEHRIQHSA-N 2 0 366.506 -0.110 20 0 FBADRP C[C@H](CNC(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)C[NH+]1CCN(C)CC1 ZINC000577755166 484131184 /nfs/dbraw/zinc/13/11/84/484131184.db2.gz ACPOMVDJDMSGEP-CVEARBPZSA-N 2 0 365.522 -0.247 20 0 FBADRP C[C@@H](CNC(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)C[NH+]1CCN(C)CC1 ZINC000577755167 484130499 /nfs/dbraw/zinc/13/04/99/484130499.db2.gz ACPOMVDJDMSGEP-HOTGVXAUSA-N 2 0 365.522 -0.247 20 0 FBADRP C[C@H](CNC(=O)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1)C[NH+]1CCN(C)CC1 ZINC000577755168 484130390 /nfs/dbraw/zinc/13/03/90/484130390.db2.gz ACPOMVDJDMSGEP-HZPDHXFCSA-N 2 0 365.522 -0.247 20 0 FBADRP C[C@@H](NC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)C1=CC[N@H+](C)CC1 ZINC000577755169 484130876 /nfs/dbraw/zinc/13/08/76/484130876.db2.gz ACPOMVDJDMSGEP-JKSUJKDBSA-N 2 0 365.522 -0.247 20 0 FBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](C2CCOCC2)C[C@H]1C ZINC000577760869 484133164 /nfs/dbraw/zinc/13/31/64/484133164.db2.gz VLCXQRPBILSPMI-OAHLLOKOSA-N 2 0 370.494 -0.608 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CNS(=O)(=O)c1ccccc1 ZINC000577787902 484132762 /nfs/dbraw/zinc/13/27/62/484132762.db2.gz JSMUXDUTLLRNAN-UHFFFAOYSA-N 2 0 356.492 -0.083 20 0 FBADRP C[C@@H](CNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+])[N@H+](C)Cc1ccccc1 ZINC000577832934 484133891 /nfs/dbraw/zinc/13/38/91/484133891.db2.gz VEKCOKVPOQKTSO-DOTOQJQBSA-N 2 0 361.490 -0.276 20 0 FBADRP C[C@H](CNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+])[N@H+](C)Cc1ccccc1 ZINC000577832935 484133863 /nfs/dbraw/zinc/13/38/63/484133863.db2.gz VEKCOKVPOQKTSO-NVXWUHKLSA-N 2 0 361.490 -0.276 20 0 FBADRP C[C@@H](CNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+])[N@H+](C)Cc1ccccc1 ZINC000577832936 484133826 /nfs/dbraw/zinc/13/38/26/484133826.db2.gz VEKCOKVPOQKTSO-RDJZCZTQSA-N 2 0 361.490 -0.276 20 0 FBADRP C[C@H](CNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+])[N@H+](C)Cc1ccccc1 ZINC000577832937 484134213 /nfs/dbraw/zinc/13/42/13/484134213.db2.gz VEKCOKVPOQKTSO-WBVHZDCISA-N 2 0 361.490 -0.276 20 0 FBADRP C[N@H+](CCCNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1)C1CCCCC1 ZINC000577844662 484136119 /nfs/dbraw/zinc/13/61/19/484136119.db2.gz OBGLGXZBVDTPKW-UHFFFAOYSA-N 2 0 367.494 -0.695 20 0 FBADRP [NH3+]C1CCC(OCC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000577848231 484135930 /nfs/dbraw/zinc/13/59/30/484135930.db2.gz IHZYLTRGFOLNSL-FHERZECASA-N 2 0 352.479 -0.057 20 0 FBADRP [NH3+]C1CCC(OCC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000577848232 484135715 /nfs/dbraw/zinc/13/57/15/484135715.db2.gz IHZYLTRGFOLNSL-QQFBHYJXSA-N 2 0 352.479 -0.057 20 0 FBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CCN(CCO)C[C@@H]2C)CC1 ZINC000577868112 484136582 /nfs/dbraw/zinc/13/65/82/484136582.db2.gz TVDKZXDCJOCSQL-HNNXBMFYSA-N 2 0 369.510 -0.315 20 0 FBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CCN(CCO)C[C@H]2C)CC1 ZINC000577868113 484135322 /nfs/dbraw/zinc/13/53/22/484135322.db2.gz TVDKZXDCJOCSQL-OAHLLOKOSA-N 2 0 369.510 -0.315 20 0 FBADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000577869094 484135801 /nfs/dbraw/zinc/13/58/01/484135801.db2.gz VPMUPVBBSYEUDL-HNNXBMFYSA-N 2 0 358.508 -0.305 20 0 FBADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000577869095 484136060 /nfs/dbraw/zinc/13/60/60/484136060.db2.gz VPMUPVBBSYEUDL-OAHLLOKOSA-N 2 0 358.508 -0.305 20 0 FBADRP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000577905471 484139763 /nfs/dbraw/zinc/13/97/63/484139763.db2.gz JEFHKZULZMNYGZ-DOTOQJQBSA-N 2 0 364.490 -0.090 20 0 FBADRP O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000577905472 484139905 /nfs/dbraw/zinc/13/99/05/484139905.db2.gz JEFHKZULZMNYGZ-NVXWUHKLSA-N 2 0 364.490 -0.090 20 0 FBADRP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000577905473 484138964 /nfs/dbraw/zinc/13/89/64/484138964.db2.gz JEFHKZULZMNYGZ-RDJZCZTQSA-N 2 0 364.490 -0.090 20 0 FBADRP O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000577905474 484140059 /nfs/dbraw/zinc/14/00/59/484140059.db2.gz JEFHKZULZMNYGZ-WBVHZDCISA-N 2 0 364.490 -0.090 20 0 FBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000577950997 484149049 /nfs/dbraw/zinc/14/90/49/484149049.db2.gz QMNYWOZATBUJON-INIZCTEOSA-N 2 0 352.479 -0.042 20 0 FBADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000577950998 484149152 /nfs/dbraw/zinc/14/91/52/484149152.db2.gz QMNYWOZATBUJON-MRXNPFEDSA-N 2 0 352.479 -0.042 20 0 FBADRP C[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C)[NH+]1CCC[C@@H](C)C1 ZINC000578001378 484152898 /nfs/dbraw/zinc/15/28/98/484152898.db2.gz MQEUEWSDWWBBHB-BZUAXINKSA-N 2 0 353.511 -0.415 20 0 FBADRP C[C@H](CNC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C)[NH+]1CCC[C@@H](C)C1 ZINC000578001379 484153573 /nfs/dbraw/zinc/15/35/73/484153573.db2.gz MQEUEWSDWWBBHB-OAGGEKHMSA-N 2 0 353.511 -0.415 20 0 FBADRP C[C@@H](CNC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C)[NH+]1CCC[C@@H](C)C1 ZINC000578001380 484153412 /nfs/dbraw/zinc/15/34/12/484153412.db2.gz MQEUEWSDWWBBHB-OWCLPIDISA-N 2 0 353.511 -0.415 20 0 FBADRP C[C@@H](CNC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C)[NH+]1CCC[C@@H](C)C1 ZINC000578001381 484153114 /nfs/dbraw/zinc/15/31/14/484153114.db2.gz MQEUEWSDWWBBHB-PMPSAXMXSA-N 2 0 353.511 -0.415 20 0 FBADRP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[C@]4(CC[N@H+](C)C4)C3)C[C@H]2[NH3+])cn1 ZINC000578005922 484152576 /nfs/dbraw/zinc/15/25/76/484152576.db2.gz CSRBTNDVQUCBRB-DAYGRLMNSA-N 2 0 360.462 -0.773 20 0 FBADRP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[C@@]4(CC[N@H+](C)C4)C3)C[C@H]2[NH3+])cn1 ZINC000578005923 484153195 /nfs/dbraw/zinc/15/31/95/484153195.db2.gz CSRBTNDVQUCBRB-HDMKZQKVSA-N 2 0 360.462 -0.773 20 0 FBADRP Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)C[C@H]2[NH3+])cn1 ZINC000578005978 484152867 /nfs/dbraw/zinc/15/28/67/484152867.db2.gz JZICWAICCPKONR-FZKCQIBNSA-N 2 0 360.462 -0.584 20 0 FBADRP Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)C[C@H]2[NH3+])cn1 ZINC000578005979 484152788 /nfs/dbraw/zinc/15/27/88/484152788.db2.gz JZICWAICCPKONR-JJXSEGSLSA-N 2 0 360.462 -0.584 20 0 FBADRP Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)C[C@H]2[NH3+])cn1 ZINC000578005980 484152829 /nfs/dbraw/zinc/15/28/29/484152829.db2.gz JZICWAICCPKONR-XUWVNRHRSA-N 2 0 360.462 -0.584 20 0 FBADRP Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)C[C@H]2[NH3+])cn1 ZINC000578005981 484153383 /nfs/dbraw/zinc/15/33/83/484153383.db2.gz JZICWAICCPKONR-ZJIFWQFVSA-N 2 0 360.462 -0.584 20 0 FBADRP CC1CC[NH+](CCNC(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000578031399 484155980 /nfs/dbraw/zinc/15/59/80/484155980.db2.gz RTFPUNGNVTXVHS-UHFFFAOYSA-N 2 0 367.538 -0.023 20 0 FBADRP O=C(NCC1CC[NH2+]CC1)C(=O)N[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000578053806 484185396 /nfs/dbraw/zinc/18/53/96/484185396.db2.gz FAWITMDDFVEMRC-CVEARBPZSA-N 2 0 352.479 -0.138 20 0 FBADRP O=C(NCC1CC[NH2+]CC1)C(=O)N[C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000578053807 484184298 /nfs/dbraw/zinc/18/42/98/484184298.db2.gz FAWITMDDFVEMRC-HOTGVXAUSA-N 2 0 352.479 -0.138 20 0 FBADRP O=C(NCC1CC[NH2+]CC1)C(=O)N[C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000578053808 484184194 /nfs/dbraw/zinc/18/41/94/484184194.db2.gz FAWITMDDFVEMRC-HZPDHXFCSA-N 2 0 352.479 -0.138 20 0 FBADRP O=C(NCC1CC[NH2+]CC1)C(=O)N[C@H]1CCCC[C@H]1N1CCOCC1 ZINC000578053809 484184818 /nfs/dbraw/zinc/18/48/18/484184818.db2.gz FAWITMDDFVEMRC-JKSUJKDBSA-N 2 0 352.479 -0.138 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2N2CCOCC2)CC[C@H]1[NH3+] ZINC000578053939 484184452 /nfs/dbraw/zinc/18/44/52/484184452.db2.gz XAIAMRYPODXXOI-FPCVCCKLSA-N 2 0 352.479 -0.058 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2N2CCOCC2)CC[C@H]1[NH3+] ZINC000578053940 484184354 /nfs/dbraw/zinc/18/43/54/484184354.db2.gz XAIAMRYPODXXOI-KLHDSHLOSA-N 2 0 352.479 -0.058 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2N2CCOCC2)CC[C@@H]1[NH3+] ZINC000578053941 484185094 /nfs/dbraw/zinc/18/50/94/484185094.db2.gz XAIAMRYPODXXOI-QKPAOTATSA-N 2 0 352.479 -0.058 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2N2CCOCC2)CC[C@@H]1[NH3+] ZINC000578053942 484185112 /nfs/dbraw/zinc/18/51/12/484185112.db2.gz XAIAMRYPODXXOI-QXSJWSMHSA-N 2 0 352.479 -0.058 20 0 FBADRP C[C@H](NC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1)C1=CC[N@H+](C)CC1 ZINC000578087663 484190911 /nfs/dbraw/zinc/19/09/11/484190911.db2.gz YQPYRVFLTJPNNA-HNNXBMFYSA-N 2 0 365.522 -0.105 20 0 FBADRP C[C@@H](NC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1)C1=CC[N@H+](C)CC1 ZINC000578087664 484191160 /nfs/dbraw/zinc/19/11/60/484191160.db2.gz YQPYRVFLTJPNNA-OAHLLOKOSA-N 2 0 365.522 -0.105 20 0 FBADRP CC(C)[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCN1C ZINC000578118336 484194798 /nfs/dbraw/zinc/19/47/98/484194798.db2.gz MDOMDYNXAYQENC-INIZCTEOSA-N 2 0 355.527 -0.263 20 0 FBADRP CC(C)[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCN1C ZINC000578118337 484194645 /nfs/dbraw/zinc/19/46/45/484194645.db2.gz MDOMDYNXAYQENC-MRXNPFEDSA-N 2 0 355.527 -0.263 20 0 FBADRP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000578132808 484194320 /nfs/dbraw/zinc/19/43/20/484194320.db2.gz YUFLUJQWGJBNSC-MJEQTWJJSA-N 2 0 352.479 -0.060 20 0 FBADRP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000578132809 484194203 /nfs/dbraw/zinc/19/42/03/484194203.db2.gz YUFLUJQWGJBNSC-VMGRFDJRSA-N 2 0 352.479 -0.060 20 0 FBADRP CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)CC1 ZINC000578134850 484195102 /nfs/dbraw/zinc/19/51/02/484195102.db2.gz HOTRKNWDJKRGEP-IYBDPMFKSA-N 2 0 351.495 -0.850 20 0 FBADRP O=C(CNC(=O)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)N1CC[NH2+]CC1 ZINC000578175262 484198767 /nfs/dbraw/zinc/19/87/67/484198767.db2.gz ZZTCPHLOCBFXQS-HNNXBMFYSA-N 2 0 365.478 -0.989 20 0 FBADRP O=C(CNC(=O)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)N1CC[NH2+]CC1 ZINC000578175263 484197722 /nfs/dbraw/zinc/19/77/22/484197722.db2.gz ZZTCPHLOCBFXQS-OAHLLOKOSA-N 2 0 365.478 -0.989 20 0 FBADRP CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])C1 ZINC000578176190 484198785 /nfs/dbraw/zinc/19/87/85/484198785.db2.gz UGSSKVLMBGFXKO-CYBMUJFWSA-N 2 0 350.485 -0.494 20 0 FBADRP CCOC(=O)[C@H]1CCCN(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])C1 ZINC000578176191 484198830 /nfs/dbraw/zinc/19/88/30/484198830.db2.gz UGSSKVLMBGFXKO-ZDUSSCGKSA-N 2 0 350.485 -0.494 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCO[C@@]2(CCSC2)C1 ZINC000578192879 484200012 /nfs/dbraw/zinc/20/00/12/484200012.db2.gz DGPCQSLSYQPODX-KRWDZBQOSA-N 2 0 372.535 -0.327 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCO[C@]2(CCSC2)C1 ZINC000578192880 484200167 /nfs/dbraw/zinc/20/01/67/484200167.db2.gz DGPCQSLSYQPODX-QGZVFWFLSA-N 2 0 372.535 -0.327 20 0 FBADRP CN(C)C(=O)CN1CCN(C(=O)C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000578196345 484199483 /nfs/dbraw/zinc/19/94/83/484199483.db2.gz DNNBJVGAVBHCCV-KRWDZBQOSA-N 2 0 365.522 -0.460 20 0 FBADRP CN(C)C(=O)CN1CCN(C(=O)C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000578196346 484199404 /nfs/dbraw/zinc/19/94/04/484199404.db2.gz DNNBJVGAVBHCCV-QGZVFWFLSA-N 2 0 365.522 -0.460 20 0 FBADRP CC(C)(C)[NH+]1CCC(NC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC1 ZINC000578207021 484201945 /nfs/dbraw/zinc/20/19/45/484201945.db2.gz IKPCUJMJVWXZHU-KBPBESRZSA-N 2 0 365.478 -0.864 20 0 FBADRP CC(C)(C)[NH+]1CCC(NC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC1 ZINC000578207022 484201970 /nfs/dbraw/zinc/20/19/70/484201970.db2.gz IKPCUJMJVWXZHU-KGLIPLIRSA-N 2 0 365.478 -0.864 20 0 FBADRP CC(C)(C)[NH+]1CCC(NC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC1 ZINC000578207023 484201062 /nfs/dbraw/zinc/20/10/62/484201062.db2.gz IKPCUJMJVWXZHU-UONOGXRCSA-N 2 0 365.478 -0.864 20 0 FBADRP CC(C)(C)[NH+]1CCC(NC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC1 ZINC000578207024 484201880 /nfs/dbraw/zinc/20/18/80/484201880.db2.gz IKPCUJMJVWXZHU-ZIAGYGMSSA-N 2 0 365.478 -0.864 20 0 FBADRP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000578222828 484203714 /nfs/dbraw/zinc/20/37/14/484203714.db2.gz OQSGLIBBRKWUFS-UHFFFAOYSA-N 3 0 355.527 -0.262 20 0 FBADRP C[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21)C[NH+]1CCN(C)CC1 ZINC000578227827 484203784 /nfs/dbraw/zinc/20/37/84/484203784.db2.gz LMPXMPZJTVXMLC-BRWVUGGUSA-N 2 0 365.522 -0.461 20 0 FBADRP C[C@H](CNC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21)C[NH+]1CCN(C)CC1 ZINC000578227828 484203031 /nfs/dbraw/zinc/20/30/31/484203031.db2.gz LMPXMPZJTVXMLC-IKGGRYGDSA-N 2 0 365.522 -0.461 20 0 FBADRP C[C@H](CNC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21)C[NH+]1CCN(C)CC1 ZINC000578227829 484203413 /nfs/dbraw/zinc/20/34/13/484203413.db2.gz LMPXMPZJTVXMLC-IXDOHACOSA-N 2 0 365.522 -0.461 20 0 FBADRP C[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21)C[NH+]1CCN(C)CC1 ZINC000578227830 484203375 /nfs/dbraw/zinc/20/33/75/484203375.db2.gz LMPXMPZJTVXMLC-ZACQAIPSSA-N 2 0 365.522 -0.461 20 0 FBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)CC1 ZINC000578231268 484203922 /nfs/dbraw/zinc/20/39/22/484203922.db2.gz ZVPSHGHVXBOVTN-AWEZNQCLSA-N 2 0 361.446 -0.064 20 0 FBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2CCC[C@H](C[NH3+])C2)CC1 ZINC000578231269 484203511 /nfs/dbraw/zinc/20/35/11/484203511.db2.gz ZVPSHGHVXBOVTN-CQSZACIVSA-N 2 0 361.446 -0.064 20 0 FBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000578313948 484206669 /nfs/dbraw/zinc/20/66/69/484206669.db2.gz DJKNUTQGINIFON-HNNXBMFYSA-N 2 0 367.494 -0.933 20 0 FBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000578313949 484206934 /nfs/dbraw/zinc/20/69/34/484206934.db2.gz DJKNUTQGINIFON-OAHLLOKOSA-N 2 0 367.494 -0.933 20 0 FBADRP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000578331417 484209469 /nfs/dbraw/zinc/20/94/69/484209469.db2.gz TZMICKWGQJAUAV-DZGCQCFKSA-N 2 0 352.479 -0.045 20 0 FBADRP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000578331418 484209164 /nfs/dbraw/zinc/20/91/64/484209164.db2.gz TZMICKWGQJAUAV-HIFRSBDPSA-N 2 0 352.479 -0.045 20 0 FBADRP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000578331419 484208731 /nfs/dbraw/zinc/20/87/31/484208731.db2.gz TZMICKWGQJAUAV-UKRRQHHQSA-N 2 0 352.479 -0.045 20 0 FBADRP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000578331420 484208437 /nfs/dbraw/zinc/20/84/37/484208437.db2.gz TZMICKWGQJAUAV-ZFWWWQNUSA-N 2 0 352.479 -0.045 20 0 FBADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]C[C@H](O)CN2CCOCC2)CC1 ZINC000578350308 484210049 /nfs/dbraw/zinc/21/00/49/484210049.db2.gz KZZDMSMXLLKWBQ-KRWDZBQOSA-N 2 0 370.538 -0.104 20 0 FBADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]C[C@@H](O)CN2CCOCC2)CC1 ZINC000578350309 484210059 /nfs/dbraw/zinc/21/00/59/484210059.db2.gz KZZDMSMXLLKWBQ-QGZVFWFLSA-N 2 0 370.538 -0.104 20 0 FBADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000578380645 484211901 /nfs/dbraw/zinc/21/19/01/484211901.db2.gz DZYOEWALCSDYEN-ILXRZTDVSA-N 2 0 365.478 -0.863 20 0 FBADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000578380650 484211582 /nfs/dbraw/zinc/21/15/82/484211582.db2.gz DZYOEWALCSDYEN-KFWWJZLASA-N 2 0 365.478 -0.863 20 0 FBADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000578380651 484211467 /nfs/dbraw/zinc/21/14/67/484211467.db2.gz DZYOEWALCSDYEN-QLFBSQMISA-N 2 0 365.478 -0.863 20 0 FBADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000578380652 484212063 /nfs/dbraw/zinc/21/20/63/484212063.db2.gz DZYOEWALCSDYEN-RBSFLKMASA-N 2 0 365.478 -0.863 20 0 FBADRP C[NH+]1CCN(c2ccc(CNC(=O)CNC(=O)[C@@H]3CCC[NH2+]3)cn2)CC1 ZINC000578503383 484214753 /nfs/dbraw/zinc/21/47/53/484214753.db2.gz VWOBAGCHECQXIJ-HNNXBMFYSA-N 2 0 360.462 -0.682 20 0 FBADRP C[NH+]1CCN(c2ccc(CNC(=O)CNC(=O)[C@H]3CCC[NH2+]3)cn2)CC1 ZINC000578503384 484215130 /nfs/dbraw/zinc/21/51/30/484215130.db2.gz VWOBAGCHECQXIJ-OAHLLOKOSA-N 2 0 360.462 -0.682 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)[C@@H](C)C[NH2+]1 ZINC000578517995 484216557 /nfs/dbraw/zinc/21/65/57/484216557.db2.gz ASQQSRHLZQQDCA-CABCVRRESA-N 2 0 352.479 -0.044 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)[C@@H](C)C[NH2+]1 ZINC000578517996 484217018 /nfs/dbraw/zinc/21/70/18/484217018.db2.gz ASQQSRHLZQQDCA-GJZGRUSLSA-N 2 0 352.479 -0.044 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)[C@H](C)C[NH2+]1 ZINC000578517997 484217248 /nfs/dbraw/zinc/21/72/48/484217248.db2.gz ASQQSRHLZQQDCA-HUUCEWRRSA-N 2 0 352.479 -0.044 20 0 FBADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000578517998 484216707 /nfs/dbraw/zinc/21/67/07/484216707.db2.gz ASQQSRHLZQQDCA-LSDHHAIUSA-N 2 0 352.479 -0.044 20 0 FBADRP COCC[NH2+]C1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000578541342 484218097 /nfs/dbraw/zinc/21/80/97/484218097.db2.gz GHJFEKGDOXOJSW-INIZCTEOSA-N 2 0 352.479 -0.090 20 0 FBADRP COCC[NH2+]C1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000578541343 484218776 /nfs/dbraw/zinc/21/87/76/484218776.db2.gz GHJFEKGDOXOJSW-MRXNPFEDSA-N 2 0 352.479 -0.090 20 0 FBADRP CC[C@H](CNS(C)(=O)=O)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000578614934 661736303 /nfs/dbraw/zinc/73/63/03/661736303.db2.gz SWDRXEIFXJMKPI-CYBMUJFWSA-N 2 0 351.517 -0.551 20 0 FBADRP CC[C@@H](CNS(C)(=O)=O)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000578614936 661736419 /nfs/dbraw/zinc/73/64/19/661736419.db2.gz SWDRXEIFXJMKPI-ZDUSSCGKSA-N 2 0 351.517 -0.551 20 0 FBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H]2CCCN(S(=O)(=O)C3CC3)C2)CC1 ZINC000578620038 484220031 /nfs/dbraw/zinc/22/00/31/484220031.db2.gz KFEYYLYZZYLFSO-CABCVRRESA-N 2 0 360.524 -0.859 20 0 FBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CCCN(S(=O)(=O)C3CC3)C2)CC1 ZINC000578620039 484219432 /nfs/dbraw/zinc/21/94/32/484219432.db2.gz KFEYYLYZZYLFSO-HUUCEWRRSA-N 2 0 360.524 -0.859 20 0 FBADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000578625172 484219690 /nfs/dbraw/zinc/21/96/90/484219690.db2.gz YQPBWVGHUWZIAQ-HNNXBMFYSA-N 2 0 353.467 -0.686 20 0 FBADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000578625173 484219473 /nfs/dbraw/zinc/21/94/73/484219473.db2.gz YQPBWVGHUWZIAQ-OAHLLOKOSA-N 2 0 353.467 -0.686 20 0 FBADRP C[NH+](C)CCc1ccccc1NC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000578644239 484220062 /nfs/dbraw/zinc/22/00/62/484220062.db2.gz SLTPFCGNALSBAJ-CABCVRRESA-N 2 0 373.457 -0.500 20 0 FBADRP C[NH+](C)CCc1ccccc1NC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000578644240 484219661 /nfs/dbraw/zinc/21/96/61/484219661.db2.gz SLTPFCGNALSBAJ-GJZGRUSLSA-N 2 0 373.457 -0.500 20 0 FBADRP C[NH+](C)CCc1ccccc1NC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000578644241 484220074 /nfs/dbraw/zinc/22/00/74/484220074.db2.gz SLTPFCGNALSBAJ-HUUCEWRRSA-N 2 0 373.457 -0.500 20 0 FBADRP C[NH+](C)CCc1ccccc1NC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000578644242 484219920 /nfs/dbraw/zinc/21/99/20/484219920.db2.gz SLTPFCGNALSBAJ-LSDHHAIUSA-N 2 0 373.457 -0.500 20 0 FBADRP CSc1nnc(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)s1 ZINC000578679676 484222521 /nfs/dbraw/zinc/22/25/21/484222521.db2.gz OAWLDYPDHHCPNB-UHFFFAOYSA-N 2 0 374.536 -0.172 20 0 FBADRP CN(C)CC(=O)N(CCNC(=O)C[NH+](C)C)CC[NH+]1CCCCCC1 ZINC000578679827 484223349 /nfs/dbraw/zinc/22/33/49/484223349.db2.gz UHOYKUATKDELIP-UHFFFAOYSA-N 2 0 355.527 -0.070 20 0 FBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000578734767 484224999 /nfs/dbraw/zinc/22/49/99/484224999.db2.gz HKVYFQCFDIYBES-UHFFFAOYSA-N 2 0 367.494 -0.837 20 0 FBADRP O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000578788056 484228030 /nfs/dbraw/zinc/22/80/30/484228030.db2.gz JVEWLLKSHPIPBR-INIZCTEOSA-N 2 0 360.458 -0.262 20 0 FBADRP C[NH2+]CCC1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000578858117 484230726 /nfs/dbraw/zinc/23/07/26/484230726.db2.gz UBBSTGYRNWNWFX-UHFFFAOYSA-N 3 0 355.527 -0.214 20 0 FBADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NCC(=O)N2CC[NH2+]CC2)[C@H](C)C1 ZINC000578864002 484231210 /nfs/dbraw/zinc/23/12/10/484231210.db2.gz HZPBVSHZEWPNJT-CVEARBPZSA-N 2 0 369.510 -0.146 20 0 FBADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NCC(=O)N2CC[NH2+]CC2)[C@@H](C)C1 ZINC000578864003 484231651 /nfs/dbraw/zinc/23/16/51/484231651.db2.gz HZPBVSHZEWPNJT-HOTGVXAUSA-N 2 0 369.510 -0.146 20 0 FBADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)NCC(=O)N2CC[NH2+]CC2)[C@H](C)C1 ZINC000578864004 484231538 /nfs/dbraw/zinc/23/15/38/484231538.db2.gz HZPBVSHZEWPNJT-HZPDHXFCSA-N 2 0 369.510 -0.146 20 0 FBADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)NCC(=O)N2CC[NH2+]CC2)[C@@H](C)C1 ZINC000578864005 484231271 /nfs/dbraw/zinc/23/12/71/484231271.db2.gz HZPBVSHZEWPNJT-JKSUJKDBSA-N 2 0 369.510 -0.146 20 0 FBADRP CC[NH+]1CCN(c2ccc(CNC(=O)CNC(=O)[C@@H]3CCC[NH2+]3)cn2)CC1 ZINC000578885501 484232496 /nfs/dbraw/zinc/23/24/96/484232496.db2.gz CLIWRTRQNVWREM-INIZCTEOSA-N 2 0 374.489 -0.292 20 0 FBADRP CC[NH+]1CCN(c2ccc(CNC(=O)CNC(=O)[C@H]3CCC[NH2+]3)cn2)CC1 ZINC000578885502 484232835 /nfs/dbraw/zinc/23/28/35/484232835.db2.gz CLIWRTRQNVWREM-MRXNPFEDSA-N 2 0 374.489 -0.292 20 0 FBADRP COC(=O)CN1CCC[C@@H](CNC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)C1 ZINC000578888181 484233172 /nfs/dbraw/zinc/23/31/72/484233172.db2.gz UZUFLZLTWPLFHI-KBPBESRZSA-N 2 0 364.450 -0.183 20 0 FBADRP COC(=O)CN1CCC[C@H](CNC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)C1 ZINC000578888182 484232373 /nfs/dbraw/zinc/23/23/73/484232373.db2.gz UZUFLZLTWPLFHI-KGLIPLIRSA-N 2 0 364.450 -0.183 20 0 FBADRP COC(=O)CN1CCC[C@@H](CNC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)C1 ZINC000578888183 484233117 /nfs/dbraw/zinc/23/31/17/484233117.db2.gz UZUFLZLTWPLFHI-UONOGXRCSA-N 2 0 364.450 -0.183 20 0 FBADRP COC(=O)CN1CCC[C@H](CNC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)C1 ZINC000578888184 484232039 /nfs/dbraw/zinc/23/20/39/484232039.db2.gz UZUFLZLTWPLFHI-ZIAGYGMSSA-N 2 0 364.450 -0.183 20 0 FBADRP Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCN(C)C[C@H]2C[NH3+])cc1 ZINC000578893014 484232303 /nfs/dbraw/zinc/23/23/03/484232303.db2.gz NSPZJCRVHWAYFX-ZIAGYGMSSA-N 2 0 354.476 -0.237 20 0 FBADRP C[C@@H](CNC(=O)C(=O)NC[C@H](C)CN1CCOCC1)CN1CCOCC1 ZINC000578984655 484237440 /nfs/dbraw/zinc/23/74/40/484237440.db2.gz JXARCCCTVNGNCY-HOTGVXAUSA-N 2 0 370.494 -0.845 20 0 FBADRP C[C@H](CNC(=O)C(=O)NC[C@@H](C)CN1CCOCC1)CN1CCOCC1 ZINC000578984656 484236948 /nfs/dbraw/zinc/23/69/48/484236948.db2.gz JXARCCCTVNGNCY-HZPDHXFCSA-N 2 0 370.494 -0.845 20 0 FBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)NCC[N@@H+]2CCCOCC2)CC1 ZINC000579007612 484239006 /nfs/dbraw/zinc/23/90/06/484239006.db2.gz WVUKHUROJUVBGL-UHFFFAOYSA-N 2 0 369.510 -0.002 20 0 FBADRP CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)CC1 ZINC000579007929 484238393 /nfs/dbraw/zinc/23/83/93/484238393.db2.gz HXQSNXSSJICFSE-GDBMZVCRSA-N 2 0 352.479 -0.247 20 0 FBADRP CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)CC1 ZINC000579007932 484239224 /nfs/dbraw/zinc/23/92/24/484239224.db2.gz HXQSNXSSJICFSE-GOEBONIOSA-N 2 0 352.479 -0.247 20 0 FBADRP CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)CC1 ZINC000579007933 484238740 /nfs/dbraw/zinc/23/87/40/484238740.db2.gz HXQSNXSSJICFSE-HOCLYGCPSA-N 2 0 352.479 -0.247 20 0 FBADRP CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)CC1 ZINC000579007935 484238530 /nfs/dbraw/zinc/23/85/30/484238530.db2.gz HXQSNXSSJICFSE-ZBFHGGJFSA-N 2 0 352.479 -0.247 20 0 FBADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCCCN1CC[NH2+]CC1 ZINC000579014381 484238687 /nfs/dbraw/zinc/23/86/87/484238687.db2.gz TULBKOBBLITYSD-UHFFFAOYSA-N 2 0 372.539 -0.365 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](C2CCCC2)C1 ZINC000579037905 484240960 /nfs/dbraw/zinc/24/09/60/484240960.db2.gz BOFYZNVQUVSCAY-GDBMZVCRSA-N 2 0 351.495 -0.519 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](C2CCCC2)C1 ZINC000579037907 484240675 /nfs/dbraw/zinc/24/06/75/484240675.db2.gz BOFYZNVQUVSCAY-GOEBONIOSA-N 2 0 351.495 -0.519 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](C2CCCC2)C1 ZINC000579037908 484240121 /nfs/dbraw/zinc/24/01/21/484240121.db2.gz BOFYZNVQUVSCAY-HOCLYGCPSA-N 2 0 351.495 -0.519 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](C2CCCC2)C1 ZINC000579037909 484240891 /nfs/dbraw/zinc/24/08/91/484240891.db2.gz BOFYZNVQUVSCAY-ZBFHGGJFSA-N 2 0 351.495 -0.519 20 0 FBADRP COc1c[nH+]ccc1N1CCN(C(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000579098199 484242277 /nfs/dbraw/zinc/24/22/77/484242277.db2.gz JQCBTXOJPVTNCT-UHFFFAOYSA-N 2 0 362.434 -0.646 20 0 FBADRP O=C(C(=O)N1CCC(CC[NH+]2CCOCC2)CC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000579100342 484243444 /nfs/dbraw/zinc/24/34/44/484243444.db2.gz NJYUKACONUVVDX-SJORKVTESA-N 2 0 364.490 -0.232 20 0 FBADRP Cn1cnc2c1c(=O)n(CCC[N@H+]1CC[C@H]3C[NH2+]C[C@H]3CC1)c(=O)n2C ZINC000579115978 484243105 /nfs/dbraw/zinc/24/31/05/484243105.db2.gz ZJXCOQMOMBDENP-OKILXGFUSA-N 2 0 360.462 -0.245 20 0 FBADRP CC(C)[NH+](C)CC(=O)N1CCN(C)[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC000579133139 484246133 /nfs/dbraw/zinc/24/61/33/484246133.db2.gz VRDYSEXSMMPHRG-INIZCTEOSA-N 2 0 355.527 -0.074 20 0 FBADRP CC(C)[NH+](C)CC(=O)N1CCN(C)[C@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC000579133142 484246256 /nfs/dbraw/zinc/24/62/56/484246256.db2.gz VRDYSEXSMMPHRG-MRXNPFEDSA-N 2 0 355.527 -0.074 20 0 FBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N(C)CCC[NH+](C)C)CC1 ZINC000579138083 484246031 /nfs/dbraw/zinc/24/60/31/484246031.db2.gz NSXDWAYWZNHNHL-INIZCTEOSA-N 2 0 355.527 -0.214 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N(C)CCC[NH+](C)C)CC1 ZINC000579138252 484244830 /nfs/dbraw/zinc/24/48/30/484244830.db2.gz NSXDWAYWZNHNHL-MRXNPFEDSA-N 2 0 355.527 -0.214 20 0 FBADRP CCCC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)CC1 ZINC000579144356 484245247 /nfs/dbraw/zinc/24/52/47/484245247.db2.gz WFTWNRRYHLTMAE-INIZCTEOSA-N 2 0 353.511 -0.271 20 0 FBADRP CCCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC000579144357 484244888 /nfs/dbraw/zinc/24/48/88/484244888.db2.gz WFTWNRRYHLTMAE-MRXNPFEDSA-N 2 0 353.511 -0.271 20 0 FBADRP C[NH+](C)CCn1ccc(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)n1 ZINC000579255413 484250382 /nfs/dbraw/zinc/25/03/82/484250382.db2.gz FJRWUKJTNLVHGT-AWEZNQCLSA-N 2 0 350.467 -0.238 20 0 FBADRP C[NH+](C)CCn1ccc(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)n1 ZINC000579255414 484250506 /nfs/dbraw/zinc/25/05/06/484250506.db2.gz FJRWUKJTNLVHGT-CQSZACIVSA-N 2 0 350.467 -0.238 20 0 FBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000579261030 484250473 /nfs/dbraw/zinc/25/04/73/484250473.db2.gz WLCHDGHHQCBQPV-UHFFFAOYSA-N 2 0 353.511 -0.316 20 0 FBADRP CN1CC[NH+](CCCCNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000579262990 484250517 /nfs/dbraw/zinc/25/05/17/484250517.db2.gz ARXVUZRVJMGXAV-SJORKVTESA-N 2 0 365.522 -0.175 20 0 FBADRP C[C@H]1C[N@H+](CCC(=O)N2CC[NH2+]CC2)CCN1c1nccn2cnnc12 ZINC000579354812 484255453 /nfs/dbraw/zinc/25/54/53/484255453.db2.gz MQFGIMBEXRNHMM-AWEZNQCLSA-N 2 0 358.450 -0.543 20 0 FBADRP C[C@@H]1C[N@H+](CCC(=O)N2CC[NH2+]CC2)CCN1c1nccn2cnnc12 ZINC000579354813 484255597 /nfs/dbraw/zinc/25/55/97/484255597.db2.gz MQFGIMBEXRNHMM-CQSZACIVSA-N 2 0 358.450 -0.543 20 0 FBADRP CN1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000579453923 484259676 /nfs/dbraw/zinc/25/96/76/484259676.db2.gz AULWJSWYXPVLOV-MSOLQXFVSA-N 2 0 373.501 -0.274 20 0 FBADRP CN1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000579453924 484259959 /nfs/dbraw/zinc/25/99/59/484259959.db2.gz AULWJSWYXPVLOV-QZTJIDSGSA-N 2 0 373.501 -0.274 20 0 FBADRP CN1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000579453925 484260128 /nfs/dbraw/zinc/26/01/28/484260128.db2.gz AULWJSWYXPVLOV-ROUUACIJSA-N 2 0 373.501 -0.274 20 0 FBADRP CN1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000579453926 484260565 /nfs/dbraw/zinc/26/05/65/484260565.db2.gz AULWJSWYXPVLOV-ZWKOTPCHSA-N 2 0 373.501 -0.274 20 0 FBADRP CN(CCC[NH3+])C(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000579495759 484264078 /nfs/dbraw/zinc/26/40/78/484264078.db2.gz KZHNCZRVRAZLCT-UHFFFAOYSA-N 2 0 363.418 -0.098 20 0 FBADRP C[NH+](C)Cc1ccc(S(=O)(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1 ZINC000579496248 484264247 /nfs/dbraw/zinc/26/42/47/484264247.db2.gz BBNRCGSLCFMEHL-DZGCQCFKSA-N 2 0 352.460 -0.319 20 0 FBADRP C[NH+](C)Cc1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1 ZINC000579496249 484263292 /nfs/dbraw/zinc/26/32/92/484263292.db2.gz BBNRCGSLCFMEHL-HIFRSBDPSA-N 2 0 352.460 -0.319 20 0 FBADRP C[NH+](C)Cc1ccc(S(=O)(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1 ZINC000579496250 484263988 /nfs/dbraw/zinc/26/39/88/484263988.db2.gz BBNRCGSLCFMEHL-UKRRQHHQSA-N 2 0 352.460 -0.319 20 0 FBADRP C[NH+](C)Cc1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1 ZINC000579496251 484263845 /nfs/dbraw/zinc/26/38/45/484263845.db2.gz BBNRCGSLCFMEHL-ZFWWWQNUSA-N 2 0 352.460 -0.319 20 0 FBADRP CC[NH+]1CCC(CNC(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)CC1 ZINC000579502567 484264143 /nfs/dbraw/zinc/26/41/43/484264143.db2.gz ZCBFIEZFHFARHI-UHFFFAOYSA-N 2 0 367.538 -0.022 20 0 FBADRP CN(CC(=O)NC(C)(C)C)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000579683678 484271913 /nfs/dbraw/zinc/27/19/13/484271913.db2.gz CVSGETWYILSCHS-UHFFFAOYSA-N 2 0 357.499 -0.689 20 0 FBADRP C[NH+]1CCN(c2ncccc2CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000579705641 484272392 /nfs/dbraw/zinc/27/23/92/484272392.db2.gz MBCMYUXVRYJKLQ-INIZCTEOSA-N 2 0 374.489 -0.292 20 0 FBADRP C[NH+]1CCN(c2ncccc2CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000579705643 484271930 /nfs/dbraw/zinc/27/19/30/484271930.db2.gz MBCMYUXVRYJKLQ-MRXNPFEDSA-N 2 0 374.489 -0.292 20 0 FBADRP C[C@@H](NC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)NCC[NH+](C)C ZINC000579732131 484275158 /nfs/dbraw/zinc/27/51/58/484275158.db2.gz QDVFFKKZQQPTNC-BEFAXECRSA-N 2 0 362.474 -0.194 20 0 FBADRP C[C@@H](NC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)NCC[NH+](C)C ZINC000579732134 484274942 /nfs/dbraw/zinc/27/49/42/484274942.db2.gz QDVFFKKZQQPTNC-DNVCBOLYSA-N 2 0 362.474 -0.194 20 0 FBADRP C[C@H](NC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)NCC[NH+](C)C ZINC000579732136 484274458 /nfs/dbraw/zinc/27/44/58/484274458.db2.gz QDVFFKKZQQPTNC-HNAYVOBHSA-N 2 0 362.474 -0.194 20 0 FBADRP C[C@H](NC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)NCC[NH+](C)C ZINC000579732138 484274916 /nfs/dbraw/zinc/27/49/16/484274916.db2.gz QDVFFKKZQQPTNC-KXBFYZLASA-N 2 0 362.474 -0.194 20 0 FBADRP CC(C)CN1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1=O ZINC000579805990 484276858 /nfs/dbraw/zinc/27/68/58/484276858.db2.gz PGIMNCDNMVNNJX-UHFFFAOYSA-N 2 0 369.510 -0.735 20 0 FBADRP O=C(CNC(=O)C(=O)N1CC[NH+](C2CCCCC2)CC1)N1CC[NH2+]CC1 ZINC000579817480 484277959 /nfs/dbraw/zinc/27/79/59/484277959.db2.gz KVSUMCXLDMEUPP-UHFFFAOYSA-N 2 0 365.478 -0.989 20 0 FBADRP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)C[C@H]2[NH3+])cn1 ZINC000579943222 484284571 /nfs/dbraw/zinc/28/45/71/484284571.db2.gz GHMFVKOUWIFCLF-LLLHUVSDSA-N 2 0 374.489 -0.384 20 0 FBADRP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)C[C@H]2[NH3+])cn1 ZINC000579943223 484284090 /nfs/dbraw/zinc/28/40/90/484284090.db2.gz GHMFVKOUWIFCLF-QMCVQRASSA-N 2 0 374.489 -0.384 20 0 FBADRP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)C[C@H]2[NH3+])cn1 ZINC000579943225 484284019 /nfs/dbraw/zinc/28/40/19/484284019.db2.gz GHMFVKOUWIFCLF-XLNGHYISSA-N 2 0 374.489 -0.384 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000579952564 484283740 /nfs/dbraw/zinc/28/37/40/484283740.db2.gz GROXJYPCZUPWHB-KBPBESRZSA-N 2 0 355.483 -0.759 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])CC1 ZINC000579952565 484283696 /nfs/dbraw/zinc/28/36/96/484283696.db2.gz GROXJYPCZUPWHB-KGLIPLIRSA-N 2 0 355.483 -0.759 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])CC1 ZINC000579952566 484284145 /nfs/dbraw/zinc/28/41/45/484284145.db2.gz GROXJYPCZUPWHB-UONOGXRCSA-N 2 0 355.483 -0.759 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])CC1 ZINC000579952567 484283952 /nfs/dbraw/zinc/28/39/52/484283952.db2.gz GROXJYPCZUPWHB-ZIAGYGMSSA-N 2 0 355.483 -0.759 20 0 FBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000579958953 484285203 /nfs/dbraw/zinc/28/52/03/484285203.db2.gz WGVGLUZVTXEBNS-CABCVRRESA-N 2 0 367.446 -0.647 20 0 FBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000579958954 484285687 /nfs/dbraw/zinc/28/56/87/484285687.db2.gz WGVGLUZVTXEBNS-GJZGRUSLSA-N 2 0 367.446 -0.647 20 0 FBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000579958955 484285877 /nfs/dbraw/zinc/28/58/77/484285877.db2.gz WGVGLUZVTXEBNS-HUUCEWRRSA-N 2 0 367.446 -0.647 20 0 FBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000579958956 484285663 /nfs/dbraw/zinc/28/56/63/484285663.db2.gz WGVGLUZVTXEBNS-LSDHHAIUSA-N 2 0 367.446 -0.647 20 0 FBADRP Cc1cnc(CCNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)nc1 ZINC000580005687 484287390 /nfs/dbraw/zinc/28/73/90/484287390.db2.gz SGKNSHRMMPDSNB-UHFFFAOYSA-N 2 0 350.467 -0.604 20 0 FBADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)NC2C[NH2+]C2)c1 ZINC000580050666 484294299 /nfs/dbraw/zinc/29/42/99/484294299.db2.gz MPMSMERQGLFOOZ-UHFFFAOYSA-N 2 0 361.446 -0.215 20 0 FBADRP C[C@H](CNC(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C)C[NH+]1CCN(C)CC1 ZINC000580224465 484389300 /nfs/dbraw/zinc/38/93/00/484389300.db2.gz NSFWPNXPCFDAJA-BFYDXBDKSA-N 2 0 365.522 -0.415 20 0 FBADRP C[C@H](CNC(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)C[NH+]1CCN(C)CC1 ZINC000580224466 484389779 /nfs/dbraw/zinc/38/97/79/484389779.db2.gz NSFWPNXPCFDAJA-HLLBOEOZSA-N 2 0 365.522 -0.415 20 0 FBADRP C[C@H](CNC(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C)C[NH+]1CCN(C)CC1 ZINC000580224467 484389424 /nfs/dbraw/zinc/38/94/24/484389424.db2.gz NSFWPNXPCFDAJA-INMHGKMJSA-N 2 0 365.522 -0.415 20 0 FBADRP C[C@H](CNC(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C)C[NH+]1CCN(C)CC1 ZINC000580224468 484389817 /nfs/dbraw/zinc/38/98/17/484389817.db2.gz NSFWPNXPCFDAJA-VYDXJSESSA-N 2 0 365.522 -0.415 20 0 FBADRP Cc1c([C@@H](C)NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cnn1C ZINC000580224615 484390144 /nfs/dbraw/zinc/39/01/44/484390144.db2.gz VJKSKXJZNMAJME-CYBMUJFWSA-N 2 0 352.483 -0.142 20 0 FBADRP Cc1c([C@H](C)NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cnn1C ZINC000580224616 484389941 /nfs/dbraw/zinc/38/99/41/484389941.db2.gz VJKSKXJZNMAJME-ZDUSSCGKSA-N 2 0 352.483 -0.142 20 0 FBADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NCC2CC[NH2+]CC2)CC1 ZINC000580294788 484413716 /nfs/dbraw/zinc/41/37/16/484413716.db2.gz QAEVYHIYLKFEHV-KRWDZBQOSA-N 2 0 365.522 -0.269 20 0 FBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NCC2CC[NH2+]CC2)CC1 ZINC000580294789 484413976 /nfs/dbraw/zinc/41/39/76/484413976.db2.gz QAEVYHIYLKFEHV-QGZVFWFLSA-N 2 0 365.522 -0.269 20 0 FBADRP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000580301592 484419795 /nfs/dbraw/zinc/41/97/95/484419795.db2.gz HYKHIDMYXPZBTB-GJZGRUSLSA-N 2 0 367.494 -0.981 20 0 FBADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000580301593 484420151 /nfs/dbraw/zinc/42/01/51/484420151.db2.gz HYKHIDMYXPZBTB-HUUCEWRRSA-N 2 0 367.494 -0.981 20 0 FBADRP C[NH+](C)[C@H]1CN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C[C@@H]1O ZINC000580342893 484078663 /nfs/dbraw/zinc/07/86/63/484078663.db2.gz DDQRAROUBNHVDI-IRXDYDNUSA-N 2 0 368.522 -0.256 20 0 FBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000580420613 484999268 /nfs/dbraw/zinc/99/92/68/484999268.db2.gz BLRKVVADOCORHX-UHFFFAOYSA-N 3 0 356.515 -0.667 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC1([S@](C)=O)CCC1 ZINC000580485326 485167835 /nfs/dbraw/zinc/16/78/35/485167835.db2.gz ZMJQRZUHCSLCQM-DEOSSOPVSA-N 2 0 360.524 -0.644 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC1([S@@](C)=O)CCC1 ZINC000580485327 485167920 /nfs/dbraw/zinc/16/79/20/485167920.db2.gz ZMJQRZUHCSLCQM-XMMPIXPASA-N 2 0 360.524 -0.644 20 0 FBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000580534083 484021294 /nfs/dbraw/zinc/02/12/94/484021294.db2.gz RBOPHXYFCVPXAE-CABCVRRESA-N 2 0 365.478 -0.990 20 0 FBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000580534084 484020089 /nfs/dbraw/zinc/02/00/89/484020089.db2.gz RBOPHXYFCVPXAE-GJZGRUSLSA-N 2 0 365.478 -0.990 20 0 FBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000580534085 484019822 /nfs/dbraw/zinc/01/98/22/484019822.db2.gz RBOPHXYFCVPXAE-HUUCEWRRSA-N 2 0 365.478 -0.990 20 0 FBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000580534086 484020041 /nfs/dbraw/zinc/02/00/41/484020041.db2.gz RBOPHXYFCVPXAE-LSDHHAIUSA-N 2 0 365.478 -0.990 20 0 FBADRP CN1CCN(C(=O)C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)[C@@H](C[NH3+])C1 ZINC000580551015 484090948 /nfs/dbraw/zinc/09/09/48/484090948.db2.gz RBDRWNWSAXIWIP-CVEARBPZSA-N 2 0 351.495 -0.722 20 0 FBADRP CN1CCN(C(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)[C@@H](C[NH3+])C1 ZINC000580551016 484091799 /nfs/dbraw/zinc/09/17/99/484091799.db2.gz RBDRWNWSAXIWIP-HOTGVXAUSA-N 2 0 351.495 -0.722 20 0 FBADRP CN1CCN(C(=O)C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)[C@H](C[NH3+])C1 ZINC000580551017 484091360 /nfs/dbraw/zinc/09/13/60/484091360.db2.gz RBDRWNWSAXIWIP-HZPDHXFCSA-N 2 0 351.495 -0.722 20 0 FBADRP CN1CCN(C(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)[C@H](C[NH3+])C1 ZINC000580551018 484090884 /nfs/dbraw/zinc/09/08/84/484090884.db2.gz RBDRWNWSAXIWIP-JKSUJKDBSA-N 2 0 351.495 -0.722 20 0 FBADRP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@@H](C)Cc1c[nH]cn1 ZINC000580569702 484092608 /nfs/dbraw/zinc/09/26/08/484092608.db2.gz BOWNUJQDEIPNAC-AWEZNQCLSA-N 2 0 351.451 -0.163 20 0 FBADRP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@H](C)Cc1c[nH]cn1 ZINC000580569703 484092914 /nfs/dbraw/zinc/09/29/14/484092914.db2.gz BOWNUJQDEIPNAC-CQSZACIVSA-N 2 0 351.451 -0.163 20 0 FBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000580588869 484097327 /nfs/dbraw/zinc/09/73/27/484097327.db2.gz WJBXVBSVAHHVFJ-CABCVRRESA-N 2 0 369.510 -0.498 20 0 FBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000580588872 484096596 /nfs/dbraw/zinc/09/65/96/484096596.db2.gz WJBXVBSVAHHVFJ-GJZGRUSLSA-N 2 0 369.510 -0.498 20 0 FBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000580588875 484096370 /nfs/dbraw/zinc/09/63/70/484096370.db2.gz WJBXVBSVAHHVFJ-HUUCEWRRSA-N 2 0 369.510 -0.498 20 0 FBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000580588876 484097153 /nfs/dbraw/zinc/09/71/53/484097153.db2.gz WJBXVBSVAHHVFJ-LSDHHAIUSA-N 2 0 369.510 -0.498 20 0 FBADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000580639760 484102958 /nfs/dbraw/zinc/10/29/58/484102958.db2.gz SVIFYXXJTNKYPR-IKGGRYGDSA-N 2 0 363.506 -0.422 20 0 FBADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000580639768 484103431 /nfs/dbraw/zinc/10/34/31/484103431.db2.gz SVIFYXXJTNKYPR-ZACQAIPSSA-N 2 0 363.506 -0.422 20 0 FBADRP CCS(=O)(=O)NCCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000580646950 484103367 /nfs/dbraw/zinc/10/33/67/484103367.db2.gz RQAVNNIOFITBPC-CABCVRRESA-N 2 0 360.524 -0.104 20 0 FBADRP CCS(=O)(=O)NCCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000580646951 484103645 /nfs/dbraw/zinc/10/36/45/484103645.db2.gz RQAVNNIOFITBPC-GJZGRUSLSA-N 2 0 360.524 -0.104 20 0 FBADRP CCS(=O)(=O)NCCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000580646952 484102839 /nfs/dbraw/zinc/10/28/39/484102839.db2.gz RQAVNNIOFITBPC-HUUCEWRRSA-N 2 0 360.524 -0.104 20 0 FBADRP CCS(=O)(=O)NCCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000580646953 484103352 /nfs/dbraw/zinc/10/33/52/484103352.db2.gz RQAVNNIOFITBPC-LSDHHAIUSA-N 2 0 360.524 -0.104 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000580647314 484103283 /nfs/dbraw/zinc/10/32/83/484103283.db2.gz QFEOIIZDAOSSLB-DOTOQJQBSA-N 2 0 359.474 -0.567 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000580647323 484103246 /nfs/dbraw/zinc/10/32/46/484103246.db2.gz QFEOIIZDAOSSLB-NVXWUHKLSA-N 2 0 359.474 -0.567 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000580647324 484103542 /nfs/dbraw/zinc/10/35/42/484103542.db2.gz QFEOIIZDAOSSLB-RDJZCZTQSA-N 2 0 359.474 -0.567 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000580647454 484103156 /nfs/dbraw/zinc/10/31/56/484103156.db2.gz QFEOIIZDAOSSLB-WBVHZDCISA-N 2 0 359.474 -0.567 20 0 FBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000580706134 484289316 /nfs/dbraw/zinc/28/93/16/484289316.db2.gz ISYFHHQCCOEXMY-AEFFLSMTSA-N 2 0 373.501 -0.088 20 0 FBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000580706135 484289233 /nfs/dbraw/zinc/28/92/33/484289233.db2.gz ISYFHHQCCOEXMY-SJLPKXTDSA-N 2 0 373.501 -0.088 20 0 FBADRP C[C@H]1CC2(CN1C(=O)C(=O)N1CCC([N@H+](C)CCO)CC1)CC[NH2+]CC2 ZINC000580710114 484299013 /nfs/dbraw/zinc/29/90/13/484299013.db2.gz VAMWKRVNWWIZPU-HNNXBMFYSA-N 2 0 366.506 -0.108 20 0 FBADRP C[C@@H]1CC2(CN1C(=O)C(=O)N1CCC([N@H+](C)CCO)CC1)CC[NH2+]CC2 ZINC000580710115 484298448 /nfs/dbraw/zinc/29/84/48/484298448.db2.gz VAMWKRVNWWIZPU-OAHLLOKOSA-N 2 0 366.506 -0.108 20 0 FBADRP C[NH+]1CCN(c2cc(CNC(=O)c3cn(CCC[NH3+])nn3)ccn2)CC1 ZINC000580711310 484289021 /nfs/dbraw/zinc/28/90/21/484289021.db2.gz BKEJXSSLAKNVMP-UHFFFAOYSA-N 2 0 358.450 -0.296 20 0 FBADRP COCC[NH2+]C1CCN(C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC000580721307 484325847 /nfs/dbraw/zinc/32/58/47/484325847.db2.gz WXVXMQXJNRSYSV-UHFFFAOYSA-N 2 0 372.429 0.433 20 0 FBADRP CN1CCN(C(=O)C(=O)N2CCC(CCC[NH+](C)C)CC2)[C@@H](C[NH3+])C1 ZINC000580768587 484291894 /nfs/dbraw/zinc/29/18/94/484291894.db2.gz YUXKCZQDNDFCDN-INIZCTEOSA-N 2 0 353.511 -0.332 20 0 FBADRP CN1CCN(C(=O)C(=O)N2CCC(CCC[NH+](C)C)CC2)[C@H](C[NH3+])C1 ZINC000580768588 484292481 /nfs/dbraw/zinc/29/24/81/484292481.db2.gz YUXKCZQDNDFCDN-MRXNPFEDSA-N 2 0 353.511 -0.332 20 0 FBADRP C[C@@H]1CC2(CN1C(=O)C(=O)N1CCO[C@@H](C[NH+](C)C)C1)CC[NH2+]CC2 ZINC000580768754 484292496 /nfs/dbraw/zinc/29/24/96/484292496.db2.gz ACFQMWOLOFDGKI-CABCVRRESA-N 2 0 352.479 -0.234 20 0 FBADRP C[C@H]1CC2(CN1C(=O)C(=O)N1CCO[C@@H](C[NH+](C)C)C1)CC[NH2+]CC2 ZINC000580768755 484292136 /nfs/dbraw/zinc/29/21/36/484292136.db2.gz ACFQMWOLOFDGKI-GJZGRUSLSA-N 2 0 352.479 -0.234 20 0 FBADRP C[C@@H]1CC2(CN1C(=O)C(=O)N1CCO[C@H](C[NH+](C)C)C1)CC[NH2+]CC2 ZINC000580768756 484292543 /nfs/dbraw/zinc/29/25/43/484292543.db2.gz ACFQMWOLOFDGKI-HUUCEWRRSA-N 2 0 352.479 -0.234 20 0 FBADRP C[C@H]1CC2(CN1C(=O)C(=O)N1CCO[C@H](C[NH+](C)C)C1)CC[NH2+]CC2 ZINC000580768757 484293083 /nfs/dbraw/zinc/29/30/83/484293083.db2.gz ACFQMWOLOFDGKI-LSDHHAIUSA-N 2 0 352.479 -0.234 20 0 FBADRP CC(C)[NH+](CCCNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)C(C)C ZINC000580785701 484291967 /nfs/dbraw/zinc/29/19/67/484291967.db2.gz LGOJHQHGIXGOSC-CABCVRRESA-N 2 0 367.494 -0.618 20 0 FBADRP CC(C)[NH+](CCCNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)C(C)C ZINC000580785702 484292929 /nfs/dbraw/zinc/29/29/29/484292929.db2.gz LGOJHQHGIXGOSC-GJZGRUSLSA-N 2 0 367.494 -0.618 20 0 FBADRP CC(C)[NH+](CCCNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)C(C)C ZINC000580785703 484294454 /nfs/dbraw/zinc/29/44/54/484294454.db2.gz LGOJHQHGIXGOSC-HUUCEWRRSA-N 2 0 367.494 -0.618 20 0 FBADRP CC(C)[NH+](CCCNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)C(C)C ZINC000580785704 484293745 /nfs/dbraw/zinc/29/37/45/484293745.db2.gz LGOJHQHGIXGOSC-LSDHHAIUSA-N 2 0 367.494 -0.618 20 0 FBADRP CN(C[C@H]1CCCC[C@@H]1O)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000580819432 484293859 /nfs/dbraw/zinc/29/38/59/484293859.db2.gz VWKREXVTFVRFDD-CVEARBPZSA-N 2 0 356.511 -0.052 20 0 FBADRP CN(C[C@@H]1CCCC[C@@H]1O)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000580819433 484294435 /nfs/dbraw/zinc/29/44/35/484294435.db2.gz VWKREXVTFVRFDD-HOTGVXAUSA-N 2 0 356.511 -0.052 20 0 FBADRP CN(C[C@H]1CCCC[C@H]1O)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000580819434 484293794 /nfs/dbraw/zinc/29/37/94/484293794.db2.gz VWKREXVTFVRFDD-HZPDHXFCSA-N 2 0 356.511 -0.052 20 0 FBADRP CN(C[C@@H]1CCCC[C@H]1O)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000580819435 484294984 /nfs/dbraw/zinc/29/49/84/484294984.db2.gz VWKREXVTFVRFDD-JKSUJKDBSA-N 2 0 356.511 -0.052 20 0 FBADRP CC[NH+](CC)CC1CCN(C(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000580823862 484294725 /nfs/dbraw/zinc/29/47/25/484294725.db2.gz DITHOWVLAOLBMQ-UHFFFAOYSA-N 2 0 367.494 -0.885 20 0 FBADRP C[NH2+][C@H](C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)c1cnn(C)c1 ZINC000580830868 484295425 /nfs/dbraw/zinc/29/54/25/484295425.db2.gz SEPPUFJRBDYZGE-BMFZPTHFSA-N 2 0 362.478 -0.213 20 0 FBADRP C[NH2+][C@H](C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)c1cnn(C)c1 ZINC000580830869 484295262 /nfs/dbraw/zinc/29/52/62/484295262.db2.gz SEPPUFJRBDYZGE-BPUTZDHNSA-N 2 0 362.478 -0.213 20 0 FBADRP C[NH2+][C@H](C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)c1cnn(C)c1 ZINC000580830870 484295407 /nfs/dbraw/zinc/29/54/07/484295407.db2.gz SEPPUFJRBDYZGE-IMJJTQAJSA-N 2 0 362.478 -0.213 20 0 FBADRP C[NH2+][C@H](C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)c1cnn(C)c1 ZINC000580830871 484295652 /nfs/dbraw/zinc/29/56/52/484295652.db2.gz SEPPUFJRBDYZGE-KBMXLJTQSA-N 2 0 362.478 -0.213 20 0 FBADRP O=C1NCC[C@]12CCC[NH+]2CCOCC[N@H+]1CCC[C@@]12CCNC2=O ZINC000580840915 484296537 /nfs/dbraw/zinc/29/65/37/484296537.db2.gz AJPWGNIJSKMTDS-HDICACEKSA-N 2 0 350.463 -0.288 20 0 FBADRP O=C1NCC[C@]12CCC[NH+]2CCOCC[N@H+]1CCC[C@]12CCNC2=O ZINC000580840917 484296310 /nfs/dbraw/zinc/29/63/10/484296310.db2.gz AJPWGNIJSKMTDS-QZTJIDSGSA-N 2 0 350.463 -0.288 20 0 FBADRP O=C1NCC[C@@]12CCC[NH+]2CCOCC[N@H+]1CCC[C@@]12CCNC2=O ZINC000580840919 484296757 /nfs/dbraw/zinc/29/67/57/484296757.db2.gz AJPWGNIJSKMTDS-ROUUACIJSA-N 2 0 350.463 -0.288 20 0 FBADRP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)C1 ZINC000580847516 484297279 /nfs/dbraw/zinc/29/72/79/484297279.db2.gz JGSFPVPYTKFVQA-INIZCTEOSA-N 2 0 367.538 -0.023 20 0 FBADRP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)C1 ZINC000580847517 484296893 /nfs/dbraw/zinc/29/68/93/484296893.db2.gz JGSFPVPYTKFVQA-MRXNPFEDSA-N 2 0 367.538 -0.023 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000580851567 484297770 /nfs/dbraw/zinc/29/77/70/484297770.db2.gz FOYYLMNMYZJFKU-HNNXBMFYSA-N 2 0 365.478 -0.468 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000580851568 484296487 /nfs/dbraw/zinc/29/64/87/484296487.db2.gz FOYYLMNMYZJFKU-OAHLLOKOSA-N 2 0 365.478 -0.468 20 0 FBADRP O=C(C(=O)N1CCC[C@@H]1C[NH+]1CCCC1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000580946523 484301903 /nfs/dbraw/zinc/30/19/03/484301903.db2.gz KBEWTNNVMOICGB-DLBZAZTESA-N 2 0 363.506 -0.421 20 0 FBADRP O=C(C(=O)N1CCC[C@@H]1C[NH+]1CCCC1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000580946524 484302485 /nfs/dbraw/zinc/30/24/85/484302485.db2.gz KBEWTNNVMOICGB-IAGOWNOFSA-N 2 0 363.506 -0.421 20 0 FBADRP O=C(C(=O)N1CCC[C@H]1C[NH+]1CCCC1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000580946525 484302958 /nfs/dbraw/zinc/30/29/58/484302958.db2.gz KBEWTNNVMOICGB-IRXDYDNUSA-N 2 0 363.506 -0.421 20 0 FBADRP O=C(C(=O)N1CCC[C@H]1C[NH+]1CCCC1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000580946526 484302830 /nfs/dbraw/zinc/30/28/30/484302830.db2.gz KBEWTNNVMOICGB-SJORKVTESA-N 2 0 363.506 -0.421 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)CC2)c1 ZINC000580946578 484302467 /nfs/dbraw/zinc/30/24/67/484302467.db2.gz QFNWLLKLTMEXJE-OKILXGFUSA-N 2 0 359.430 -0.583 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000580946619 484301878 /nfs/dbraw/zinc/30/18/78/484301878.db2.gz XVMAILSMFSCVBL-DLBZAZTESA-N 2 0 367.538 -0.214 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000580946620 484302023 /nfs/dbraw/zinc/30/20/23/484302023.db2.gz XVMAILSMFSCVBL-IAGOWNOFSA-N 2 0 367.538 -0.214 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000580946621 484302868 /nfs/dbraw/zinc/30/28/68/484302868.db2.gz XVMAILSMFSCVBL-IRXDYDNUSA-N 2 0 367.538 -0.214 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000580946622 484302058 /nfs/dbraw/zinc/30/20/58/484302058.db2.gz XVMAILSMFSCVBL-SJORKVTESA-N 2 0 367.538 -0.214 20 0 FBADRP Cn1cc([C@@H]2CN(C(=O)NC3CCN(CC[NH+](C)C)CC3)C[C@H]2[NH3+])cn1 ZINC000580947490 484302707 /nfs/dbraw/zinc/30/27/07/484302707.db2.gz UPJZGRDLJMXJTD-DLBZAZTESA-N 2 0 363.510 -0.118 20 0 FBADRP Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000580950991 484301799 /nfs/dbraw/zinc/30/17/99/484301799.db2.gz OUOJNBMAWPDIED-CYBMUJFWSA-N 2 0 373.461 -0.521 20 0 FBADRP Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000580950992 484302403 /nfs/dbraw/zinc/30/24/03/484302403.db2.gz OUOJNBMAWPDIED-ZDUSSCGKSA-N 2 0 373.461 -0.521 20 0 FBADRP COCCN(C(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000580952201 484302838 /nfs/dbraw/zinc/30/28/38/484302838.db2.gz NPGXKZFNFAVLIM-OWCLPIDISA-N 2 0 373.519 -0.420 20 0 FBADRP COCCN(C(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1)[C@H]1CCS(=O)(=O)C1 ZINC000580952202 484302276 /nfs/dbraw/zinc/30/22/76/484302276.db2.gz NPGXKZFNFAVLIM-XHSDSOJGSA-N 2 0 373.519 -0.420 20 0 FBADRP CN1CCN(C(=O)C(=O)N2CC[NH+](CC3CCCCC3)CC2)[C@@H](C[NH3+])C1 ZINC000581005954 484303814 /nfs/dbraw/zinc/30/38/14/484303814.db2.gz JHJQBVGLMMJGMU-KRWDZBQOSA-N 2 0 365.522 -0.188 20 0 FBADRP CN1CCN(C(=O)C(=O)N2CC[NH+](CC3CCCCC3)CC2)[C@H](C[NH3+])C1 ZINC000581005955 484304739 /nfs/dbraw/zinc/30/47/39/484304739.db2.gz JHJQBVGLMMJGMU-QGZVFWFLSA-N 2 0 365.522 -0.188 20 0 FBADRP [NH3+]C1(CNC(=O)CN2CCNCC2=O)CC[NH+](Cc2ccccc2)CC1 ZINC000581071323 484309528 /nfs/dbraw/zinc/30/95/28/484309528.db2.gz KFBLECGAVPXXAG-UHFFFAOYSA-N 2 0 359.474 -0.472 20 0 FBADRP CC[NH+]1CCC(CNC(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000581085881 484309295 /nfs/dbraw/zinc/30/92/95/484309295.db2.gz NNYLMHOYXKWDBI-UHFFFAOYSA-N 2 0 367.538 -0.023 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(CC(N)=O)cc1 ZINC000581110257 484309941 /nfs/dbraw/zinc/30/99/41/484309941.db2.gz PDKBYFWIFMWVNL-UHFFFAOYSA-N 2 0 363.462 -0.395 20 0 FBADRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000581126007 483494454 /nfs/dbraw/zinc/49/44/54/483494454.db2.gz WQJHRTYTRXCWBO-BRWVUGGUSA-N 2 0 363.506 -0.422 20 0 FBADRP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000581126010 483495214 /nfs/dbraw/zinc/49/52/14/483495214.db2.gz WQJHRTYTRXCWBO-IKGGRYGDSA-N 2 0 363.506 -0.422 20 0 FBADRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000581126012 483494547 /nfs/dbraw/zinc/49/45/47/483494547.db2.gz WQJHRTYTRXCWBO-IXDOHACOSA-N 2 0 363.506 -0.422 20 0 FBADRP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000581126014 483494399 /nfs/dbraw/zinc/49/43/99/483494399.db2.gz WQJHRTYTRXCWBO-ZACQAIPSSA-N 2 0 363.506 -0.422 20 0 FBADRP O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)NCCC[NH2+]C1CC1 ZINC000581191441 484313165 /nfs/dbraw/zinc/31/31/65/484313165.db2.gz AJHJMDNVBOYAAL-INIZCTEOSA-N 2 0 352.479 -0.042 20 0 FBADRP O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)NCCC[NH2+]C1CC1 ZINC000581191442 484313700 /nfs/dbraw/zinc/31/37/00/484313700.db2.gz AJHJMDNVBOYAAL-MRXNPFEDSA-N 2 0 352.479 -0.042 20 0 FBADRP COc1ccnc(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)n1 ZINC000581247610 484317707 /nfs/dbraw/zinc/31/77/07/484317707.db2.gz JLOTYYWFTAHJSO-UHFFFAOYSA-N 2 0 352.439 -0.947 20 0 FBADRP CN(C)c1nccc(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)n1 ZINC000581273847 484318475 /nfs/dbraw/zinc/31/84/75/484318475.db2.gz ANLULBIIMHGLMN-UHFFFAOYSA-N 2 0 365.482 -0.889 20 0 FBADRP CCn1cc(CN(C)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cn1 ZINC000581296404 484320240 /nfs/dbraw/zinc/32/02/40/484320240.db2.gz COEHQPPNBXLYGQ-UHFFFAOYSA-N 2 0 352.483 -0.187 20 0 FBADRP CN1CCN(C(=O)C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)[C@H](C[NH3+])C1 ZINC000581300465 484320118 /nfs/dbraw/zinc/32/01/18/484320118.db2.gz ZSSACNFTRHSLLN-DLBZAZTESA-N 2 0 361.490 -0.623 20 0 FBADRP CN1CCN(C(=O)C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)[C@H](C[NH3+])C1 ZINC000581300466 484320658 /nfs/dbraw/zinc/32/06/58/484320658.db2.gz ZSSACNFTRHSLLN-IAGOWNOFSA-N 2 0 361.490 -0.623 20 0 FBADRP CN1CCN(C(=O)C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)[C@@H](C[NH3+])C1 ZINC000581300467 484319847 /nfs/dbraw/zinc/31/98/47/484319847.db2.gz ZSSACNFTRHSLLN-IRXDYDNUSA-N 2 0 361.490 -0.623 20 0 FBADRP CN1CCN(C(=O)C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)[C@@H](C[NH3+])C1 ZINC000581300468 484320692 /nfs/dbraw/zinc/32/06/92/484320692.db2.gz ZSSACNFTRHSLLN-SJORKVTESA-N 2 0 361.490 -0.623 20 0 FBADRP CC[NH+]1CCC(CNC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000581325891 484321333 /nfs/dbraw/zinc/32/13/33/484321333.db2.gz YNZGBWYQJUPWRX-UHFFFAOYSA-N 2 0 367.538 -0.023 20 0 FBADRP CN(C[C@@H](O)C(F)(F)F)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000581356033 484322854 /nfs/dbraw/zinc/32/28/54/484322854.db2.gz VOCSMWICEIIRJO-LLVKDONJSA-N 2 0 356.389 -0.680 20 0 FBADRP CN(C[C@H](O)C(F)(F)F)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000581356034 484322906 /nfs/dbraw/zinc/32/29/06/484322906.db2.gz VOCSMWICEIIRJO-NSHDSACASA-N 2 0 356.389 -0.680 20 0 FBADRP CC[N@H+](CCNC(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1)C1CC1 ZINC000581386343 484324527 /nfs/dbraw/zinc/32/45/27/484324527.db2.gz PXHDUULVTQKKQE-UHFFFAOYSA-N 2 0 353.511 -0.271 20 0 FBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000581390725 484325437 /nfs/dbraw/zinc/32/54/37/484325437.db2.gz ZZAXBGQAGPOGSZ-UHFFFAOYSA-N 2 0 370.494 -0.748 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)CC1 ZINC000581423439 484326983 /nfs/dbraw/zinc/32/69/83/484326983.db2.gz NTLKWJDGXMGVAJ-HNNXBMFYSA-N 2 0 367.494 -0.804 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC[C@H](C[NH3+])C2)CC1 ZINC000581423440 484325975 /nfs/dbraw/zinc/32/59/75/484325975.db2.gz NTLKWJDGXMGVAJ-OAHLLOKOSA-N 2 0 367.494 -0.804 20 0 FBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)cn1 ZINC000581432057 484326651 /nfs/dbraw/zinc/32/66/51/484326651.db2.gz IGRHTBOZUXYAFZ-MSOLQXFVSA-N 2 0 356.474 -0.179 20 0 FBADRP CN1CC[NH2+]C[C@H]1CNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)cn1 ZINC000581432058 484327078 /nfs/dbraw/zinc/32/70/78/484327078.db2.gz IGRHTBOZUXYAFZ-ROUUACIJSA-N 2 0 356.474 -0.179 20 0 FBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1C[NH+](C2CC2)C[C@H]1C ZINC000581435908 484328541 /nfs/dbraw/zinc/32/85/41/484328541.db2.gz VPRRQYOCPSERCT-BMFZPTHFSA-N 2 0 352.479 -0.188 20 0 FBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[NH+](C2CC2)C[C@H]1C ZINC000581435909 484328370 /nfs/dbraw/zinc/32/83/70/484328370.db2.gz VPRRQYOCPSERCT-FVQBIDKESA-N 2 0 352.479 -0.188 20 0 FBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1C[NH+](C2CC2)C[C@@H]1C ZINC000581435910 484327815 /nfs/dbraw/zinc/32/78/15/484327815.db2.gz VPRRQYOCPSERCT-IMJJTQAJSA-N 2 0 352.479 -0.188 20 0 FBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[NH+](C2CC2)C[C@@H]1C ZINC000581435911 484328166 /nfs/dbraw/zinc/32/81/66/484328166.db2.gz VPRRQYOCPSERCT-NUEKZKHPSA-N 2 0 352.479 -0.188 20 0 FBADRP C[C@@H]1C[NH+](CCCNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C[C@@H](C)O1 ZINC000581440788 484328298 /nfs/dbraw/zinc/32/82/98/484328298.db2.gz RIVFOZMYJFOPNG-APIJFGDWSA-N 2 0 353.467 -0.561 20 0 FBADRP C[C@@H]1C[NH+](CCCNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C[C@@H](C)O1 ZINC000581440789 484328708 /nfs/dbraw/zinc/32/87/08/484328708.db2.gz RIVFOZMYJFOPNG-KBUPBQIOSA-N 2 0 353.467 -0.561 20 0 FBADRP C[C@@H]1C[N@@H+](CCCNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C[C@H](C)O1 ZINC000581440790 484328726 /nfs/dbraw/zinc/32/87/26/484328726.db2.gz RIVFOZMYJFOPNG-LJISPDSOSA-N 2 0 353.467 -0.561 20 0 FBADRP C[C@@H]1C[N@@H+](CCCNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C[C@H](C)O1 ZINC000581440791 484328201 /nfs/dbraw/zinc/32/82/01/484328201.db2.gz RIVFOZMYJFOPNG-LXTVHRRPSA-N 2 0 353.467 -0.561 20 0 FBADRP COC[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[C@@H](C)O1 ZINC000581474546 484330130 /nfs/dbraw/zinc/33/01/30/484330130.db2.gz GTJNOJHXGPUTGW-CABCVRRESA-N 2 0 358.483 -0.800 20 0 FBADRP COC[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[C@H](C)O1 ZINC000581474547 484329416 /nfs/dbraw/zinc/32/94/16/484329416.db2.gz GTJNOJHXGPUTGW-GJZGRUSLSA-N 2 0 358.483 -0.800 20 0 FBADRP COC[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[C@@H](C)O1 ZINC000581474548 484330243 /nfs/dbraw/zinc/33/02/43/484330243.db2.gz GTJNOJHXGPUTGW-HUUCEWRRSA-N 2 0 358.483 -0.800 20 0 FBADRP COC[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[C@H](C)O1 ZINC000581474549 484330701 /nfs/dbraw/zinc/33/07/01/484330701.db2.gz GTJNOJHXGPUTGW-LSDHHAIUSA-N 2 0 358.483 -0.800 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000581474627 484330717 /nfs/dbraw/zinc/33/07/17/484330717.db2.gz VHYSJLUADWDKBM-UHFFFAOYSA-N 3 0 355.527 -0.262 20 0 FBADRP C[NH+](C)CCOc1cccc(CNC(=O)NCC(=O)N2CC[NH2+]CC2)c1 ZINC000581477655 484329827 /nfs/dbraw/zinc/32/98/27/484329827.db2.gz KCYAXKHVSMGJCR-UHFFFAOYSA-N 2 0 363.462 -0.142 20 0 FBADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N(CC[NH3+])CCO)c1ccc(Cl)cc1 ZINC000581478852 484330166 /nfs/dbraw/zinc/33/01/66/484330166.db2.gz RWZUTAOVNKEPOT-AWEZNQCLSA-N 2 0 356.854 -0.162 20 0 FBADRP C[NH+](C)[C@H](CNC(=O)C(=O)N(CC[NH3+])CCO)c1ccc(Cl)cc1 ZINC000581478853 484329784 /nfs/dbraw/zinc/32/97/84/484329784.db2.gz RWZUTAOVNKEPOT-CQSZACIVSA-N 2 0 356.854 -0.162 20 0 FBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)CC1 ZINC000581484340 484329947 /nfs/dbraw/zinc/32/99/47/484329947.db2.gz DZXKVHDXKPQJJM-PMACEKPBSA-N 3 0 362.518 -0.049 20 0 FBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000581484341 484330509 /nfs/dbraw/zinc/33/05/09/484330509.db2.gz DZXKVHDXKPQJJM-UXHICEINSA-N 3 0 362.518 -0.049 20 0 FBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)CC1 ZINC000581484342 484331929 /nfs/dbraw/zinc/33/19/29/484331929.db2.gz DZXKVHDXKPQJJM-VQTJNVASSA-N 3 0 362.518 -0.049 20 0 FBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000581484343 484331415 /nfs/dbraw/zinc/33/14/15/484331415.db2.gz DZXKVHDXKPQJJM-WOJBJXKFSA-N 3 0 362.518 -0.049 20 0 FBADRP COC(=O)C[C@H]([NH3+])C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000581486893 484332151 /nfs/dbraw/zinc/33/21/51/484332151.db2.gz ICRSKEBTWZFBEF-HNNXBMFYSA-N 2 0 368.478 -0.283 20 0 FBADRP COC(=O)C1CC[NH+](CCCNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000581545846 484334553 /nfs/dbraw/zinc/33/45/53/484334553.db2.gz FYOCESDXTVWFKL-HNNXBMFYSA-N 2 0 368.478 -0.364 20 0 FBADRP COC(=O)C1CC[NH+](CCCNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000581545847 484334926 /nfs/dbraw/zinc/33/49/26/484334926.db2.gz FYOCESDXTVWFKL-OAHLLOKOSA-N 2 0 368.478 -0.364 20 0 FBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000581568226 484336320 /nfs/dbraw/zinc/33/63/20/484336320.db2.gz CEEZKQQJQNWXAN-INIZCTEOSA-N 2 0 370.494 -0.748 20 0 FBADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000581598227 484337569 /nfs/dbraw/zinc/33/75/69/484337569.db2.gz LUEHBIFATSXKEJ-CABCVRRESA-N 2 0 352.479 -0.044 20 0 FBADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000581598228 484338684 /nfs/dbraw/zinc/33/86/84/484338684.db2.gz LUEHBIFATSXKEJ-HUUCEWRRSA-N 2 0 352.479 -0.044 20 0 FBADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000581613569 484339827 /nfs/dbraw/zinc/33/98/27/484339827.db2.gz MJIDWMWTYXZNHD-UHFFFAOYSA-N 2 0 355.527 -0.084 20 0 FBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000581627727 484339282 /nfs/dbraw/zinc/33/92/82/484339282.db2.gz VHELPAFRULLEKH-UHFFFAOYSA-N 2 0 370.494 -0.748 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000581629309 484339849 /nfs/dbraw/zinc/33/98/49/484339849.db2.gz MTHIANXEYVZMKG-CRAIPNDOSA-N 2 0 370.494 -0.608 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCO[C@]2(CCOC2)C1 ZINC000581629310 484339941 /nfs/dbraw/zinc/33/99/41/484339941.db2.gz MTHIANXEYVZMKG-MAUKXSAKSA-N 2 0 370.494 -0.608 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000581629311 484339704 /nfs/dbraw/zinc/33/97/04/484339704.db2.gz MTHIANXEYVZMKG-QAPCUYQASA-N 2 0 370.494 -0.608 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCO[C@@]2(CCOC2)C1 ZINC000581629312 484339730 /nfs/dbraw/zinc/33/97/30/484339730.db2.gz MTHIANXEYVZMKG-YJBOKZPZSA-N 2 0 370.494 -0.608 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)c2cn(CCCC[NH3+])nn2)CC1 ZINC000581665141 484343156 /nfs/dbraw/zinc/34/31/56/484343156.db2.gz VZTNKODUXNSZFH-UHFFFAOYSA-N 2 0 365.482 -0.357 20 0 FBADRP COC(=O)c1cn(C2CC[NH+](CCC(=O)N3CC[NH2+]CC3)CC2)nn1 ZINC000581667453 484343314 /nfs/dbraw/zinc/34/33/14/484343314.db2.gz XHCAMJHVFCPCEU-UHFFFAOYSA-N 2 0 350.423 -0.477 20 0 FBADRP CCOCCN1CCN(C(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000581692117 484344042 /nfs/dbraw/zinc/34/40/42/484344042.db2.gz GYVAIWHXECNNBR-GDBMZVCRSA-N 2 0 352.479 -0.234 20 0 FBADRP CCOCCN1CCN(C(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000581692118 484344090 /nfs/dbraw/zinc/34/40/90/484344090.db2.gz GYVAIWHXECNNBR-GOEBONIOSA-N 2 0 352.479 -0.234 20 0 FBADRP CCOCCN1CCN(C(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000581692119 484344886 /nfs/dbraw/zinc/34/48/86/484344886.db2.gz GYVAIWHXECNNBR-HOCLYGCPSA-N 2 0 352.479 -0.234 20 0 FBADRP CCOCCN1CCN(C(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000581692120 484344739 /nfs/dbraw/zinc/34/47/39/484344739.db2.gz GYVAIWHXECNNBR-ZBFHGGJFSA-N 2 0 352.479 -0.234 20 0 FBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000581721100 484346471 /nfs/dbraw/zinc/34/64/71/484346471.db2.gz FHNHKSBARSZTOX-HRCADAONSA-N 2 0 350.467 -0.033 20 0 FBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000581721101 484345943 /nfs/dbraw/zinc/34/59/43/484345943.db2.gz FHNHKSBARSZTOX-OWCLPIDISA-N 2 0 350.467 -0.033 20 0 FBADRP C[NH+](C)CCN1C[C@H](C(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)CC1=O ZINC000581729285 484346144 /nfs/dbraw/zinc/34/61/44/484346144.db2.gz QDMWJTYQIVPVDF-CABCVRRESA-N 2 0 352.479 -0.390 20 0 FBADRP C[NH+](C)CCN1C[C@@H](C(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)CC1=O ZINC000581729286 484346253 /nfs/dbraw/zinc/34/62/53/484346253.db2.gz QDMWJTYQIVPVDF-GJZGRUSLSA-N 2 0 352.479 -0.390 20 0 FBADRP C[NH+](C)CCN1C[C@H](C(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)CC1=O ZINC000581729287 484346370 /nfs/dbraw/zinc/34/63/70/484346370.db2.gz QDMWJTYQIVPVDF-HUUCEWRRSA-N 2 0 352.479 -0.390 20 0 FBADRP C[NH+](C)CCN1C[C@@H](C(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)CC1=O ZINC000581729288 484345780 /nfs/dbraw/zinc/34/57/80/484345780.db2.gz QDMWJTYQIVPVDF-LSDHHAIUSA-N 2 0 352.479 -0.390 20 0 FBADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000581822637 484350196 /nfs/dbraw/zinc/35/01/96/484350196.db2.gz FTJGLKILQFZTMT-BBWFWOEESA-N 2 0 365.522 -0.128 20 0 FBADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000581822638 484350235 /nfs/dbraw/zinc/35/02/35/484350235.db2.gz FTJGLKILQFZTMT-BRWVUGGUSA-N 2 0 365.522 -0.128 20 0 FBADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000581822639 484349545 /nfs/dbraw/zinc/34/95/45/484349545.db2.gz FTJGLKILQFZTMT-IXDOHACOSA-N 2 0 365.522 -0.128 20 0 FBADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000581822640 484349956 /nfs/dbraw/zinc/34/99/56/484349956.db2.gz FTJGLKILQFZTMT-ZACQAIPSSA-N 2 0 365.522 -0.128 20 0 FBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC000581823305 484349938 /nfs/dbraw/zinc/34/99/38/484349938.db2.gz YMFWJIDGAFDTGP-GDBMZVCRSA-N 2 0 352.479 -0.057 20 0 FBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC000581823306 484349345 /nfs/dbraw/zinc/34/93/45/484349345.db2.gz YMFWJIDGAFDTGP-GOEBONIOSA-N 2 0 352.479 -0.057 20 0 FBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC000581823307 484349922 /nfs/dbraw/zinc/34/99/22/484349922.db2.gz YMFWJIDGAFDTGP-HOCLYGCPSA-N 2 0 352.479 -0.057 20 0 FBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC000581823308 484349754 /nfs/dbraw/zinc/34/97/54/484349754.db2.gz YMFWJIDGAFDTGP-ZBFHGGJFSA-N 2 0 352.479 -0.057 20 0 FBADRP O=C([C@H]1CCCN(C(=O)C2(n3cccn3)CC[NH2+]CC2)C1)N1CC[NH2+]CC1 ZINC000581824892 484349986 /nfs/dbraw/zinc/34/99/86/484349986.db2.gz JHHQEKAQYZFSOV-INIZCTEOSA-N 2 0 374.489 -0.368 20 0 FBADRP O=C([C@@H]1CCCN(C(=O)C2(n3cccn3)CC[NH2+]CC2)C1)N1CC[NH2+]CC1 ZINC000581824893 484349880 /nfs/dbraw/zinc/34/98/80/484349880.db2.gz JHHQEKAQYZFSOV-MRXNPFEDSA-N 2 0 374.489 -0.368 20 0 FBADRP O=C(NCCN1CCN(c2ncccn2)CC1)[C@H]1CCNCC1(F)F ZINC000581881964 484353261 /nfs/dbraw/zinc/35/32/61/484353261.db2.gz VOIQWNVBDNOFRL-CYBMUJFWSA-N 2 0 354.405 -0.040 20 0 FBADRP O=C(NCCN1CCN(c2ncccn2)CC1)[C@@H]1CCNCC1(F)F ZINC000581881965 484353003 /nfs/dbraw/zinc/35/30/03/484353003.db2.gz VOIQWNVBDNOFRL-ZDUSSCGKSA-N 2 0 354.405 -0.040 20 0 FBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cn(CCCC[NH3+])nn1 ZINC000581940765 484363468 /nfs/dbraw/zinc/36/34/68/484363468.db2.gz YNTKEKISVAIHQH-HNNXBMFYSA-N 2 0 365.482 -0.311 20 0 FBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1cn(CCCC[NH3+])nn1 ZINC000581940766 484363368 /nfs/dbraw/zinc/36/33/68/484363368.db2.gz YNTKEKISVAIHQH-OAHLLOKOSA-N 2 0 365.482 -0.311 20 0 FBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[N@@H+]1C1CC1 ZINC000581968908 484371686 /nfs/dbraw/zinc/37/16/86/484371686.db2.gz GYUDILSQTGHAEE-CABCVRRESA-N 3 0 353.511 -0.320 20 0 FBADRP C[C@H]1C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[N@@H+]1C1CC1 ZINC000581968909 484371922 /nfs/dbraw/zinc/37/19/22/484371922.db2.gz GYUDILSQTGHAEE-GJZGRUSLSA-N 3 0 353.511 -0.320 20 0 FBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[N@@H+]1C1CC1 ZINC000581968910 484372265 /nfs/dbraw/zinc/37/22/65/484372265.db2.gz GYUDILSQTGHAEE-HUUCEWRRSA-N 3 0 353.511 -0.320 20 0 FBADRP C[C@H]1C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[N@@H+]1C1CC1 ZINC000581968911 484372505 /nfs/dbraw/zinc/37/25/05/484372505.db2.gz GYUDILSQTGHAEE-LSDHHAIUSA-N 3 0 353.511 -0.320 20 0 FBADRP O=C(C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000581997215 484376716 /nfs/dbraw/zinc/37/67/16/484376716.db2.gz LMNXLCDIJQZRIR-DLBZAZTESA-N 2 0 363.506 -0.421 20 0 FBADRP O=C(C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000581997216 484376091 /nfs/dbraw/zinc/37/60/91/484376091.db2.gz LMNXLCDIJQZRIR-IAGOWNOFSA-N 2 0 363.506 -0.421 20 0 FBADRP O=C(C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000581997217 484376843 /nfs/dbraw/zinc/37/68/43/484376843.db2.gz LMNXLCDIJQZRIR-IRXDYDNUSA-N 2 0 363.506 -0.421 20 0 FBADRP O=C(C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000581997218 484376984 /nfs/dbraw/zinc/37/69/84/484376984.db2.gz LMNXLCDIJQZRIR-SJORKVTESA-N 2 0 363.506 -0.421 20 0 FBADRP C[C@@H]1CN(C[C@H](O)C[NH2+]CCS(=O)(=O)NCC2CCC2)C[C@H](C)O1 ZINC000581998561 484378118 /nfs/dbraw/zinc/37/81/18/484378118.db2.gz ODHHZVCKURWZGO-IJEWVQPXSA-N 2 0 363.524 -0.234 20 0 FBADRP C[C@@H]1CN(C[C@@H](O)C[NH2+]CCS(=O)(=O)NCC2CCC2)C[C@H](C)O1 ZINC000581998562 484378290 /nfs/dbraw/zinc/37/82/90/484378290.db2.gz ODHHZVCKURWZGO-LZWOXQAQSA-N 2 0 363.524 -0.234 20 0 FBADRP O=C(CC[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1)N1CCN(c2ncccn2)CC1 ZINC000582006405 484379995 /nfs/dbraw/zinc/37/99/95/484379995.db2.gz JCZWLJCLRWVAFU-KRWDZBQOSA-N 2 0 373.505 -0.505 20 0 FBADRP O=C(CC[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)N1CCN(c2ncccn2)CC1 ZINC000582006406 484379630 /nfs/dbraw/zinc/37/96/30/484379630.db2.gz JCZWLJCLRWVAFU-QGZVFWFLSA-N 2 0 373.505 -0.505 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1cccc2c1OCO2 ZINC000582018340 484383517 /nfs/dbraw/zinc/38/35/17/484383517.db2.gz IKJMHKCHXIVCFD-UHFFFAOYSA-N 2 0 364.446 -0.017 20 0 FBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000582028730 483476782 /nfs/dbraw/zinc/47/67/82/483476782.db2.gz GDNFNZYCJJBCEL-GDBMZVCRSA-N 3 0 353.511 -0.463 20 0 FBADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000582028731 483475751 /nfs/dbraw/zinc/47/57/51/483475751.db2.gz GDNFNZYCJJBCEL-GOEBONIOSA-N 3 0 353.511 -0.463 20 0 FBADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000582028732 483476794 /nfs/dbraw/zinc/47/67/94/483476794.db2.gz GDNFNZYCJJBCEL-HOCLYGCPSA-N 3 0 353.511 -0.463 20 0 FBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000582028733 483476125 /nfs/dbraw/zinc/47/61/25/483476125.db2.gz GDNFNZYCJJBCEL-ZBFHGGJFSA-N 3 0 353.511 -0.463 20 0 FBADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCC[C@]1(C)CO ZINC000582048562 483486273 /nfs/dbraw/zinc/48/62/73/483486273.db2.gz GKKSWEDYGJMPPB-GOSISDBHSA-N 2 0 354.495 -0.156 20 0 FBADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCC[C@@]1(C)CO ZINC000582048563 483486396 /nfs/dbraw/zinc/48/63/96/483486396.db2.gz GKKSWEDYGJMPPB-SFHVURJKSA-N 2 0 354.495 -0.156 20 0 FBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCC(CC[NH3+])CC2)CC1 ZINC000582068295 483490464 /nfs/dbraw/zinc/49/04/64/483490464.db2.gz GNIHIOOHEBNHFX-INIZCTEOSA-N 2 0 367.538 -0.036 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCC(CC[NH3+])CC2)CC1 ZINC000582068296 483490095 /nfs/dbraw/zinc/49/00/95/483490095.db2.gz GNIHIOOHEBNHFX-MRXNPFEDSA-N 2 0 367.538 -0.036 20 0 FBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000582111883 483520453 /nfs/dbraw/zinc/52/04/53/483520453.db2.gz LIUIFWIINYHJQY-HNNXBMFYSA-N 2 0 355.483 -0.440 20 0 FBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000582111884 483521194 /nfs/dbraw/zinc/52/11/94/483521194.db2.gz LIUIFWIINYHJQY-OAHLLOKOSA-N 2 0 355.483 -0.440 20 0 FBADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)CC1=O ZINC000582124801 483873582 /nfs/dbraw/zinc/87/35/82/483873582.db2.gz UWUOXQSXVOSKAM-DZGCQCFKSA-N 2 0 363.466 -0.690 20 0 FBADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)CC1=O ZINC000582124802 483873478 /nfs/dbraw/zinc/87/34/78/483873478.db2.gz UWUOXQSXVOSKAM-HIFRSBDPSA-N 2 0 363.466 -0.690 20 0 FBADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)CC1=O ZINC000582124803 483873337 /nfs/dbraw/zinc/87/33/37/483873337.db2.gz UWUOXQSXVOSKAM-UKRRQHHQSA-N 2 0 363.466 -0.690 20 0 FBADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)CC1=O ZINC000582124804 483873443 /nfs/dbraw/zinc/87/34/43/483873443.db2.gz UWUOXQSXVOSKAM-ZFWWWQNUSA-N 2 0 363.466 -0.690 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NCc1ccnc(N2CCCC2)c1 ZINC000582136341 483476616 /nfs/dbraw/zinc/47/66/16/483476616.db2.gz JJIBQYDLEWATKN-INIZCTEOSA-N 2 0 374.489 -0.340 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NCc1ccnc(N2CCCC2)c1 ZINC000582136342 483476021 /nfs/dbraw/zinc/47/60/21/483476021.db2.gz JJIBQYDLEWATKN-MRXNPFEDSA-N 2 0 374.489 -0.340 20 0 FBADRP C[C@@H]1CN(C(C)(C)CNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C[C@H](C)O1 ZINC000582231605 484511149 /nfs/dbraw/zinc/51/11/49/484511149.db2.gz TZSQQDLBZGIBDO-BARDWOONSA-N 2 0 352.479 -0.189 20 0 FBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N2CCC(CC[NH3+])CC2)CC1(C)C ZINC000582247164 484543951 /nfs/dbraw/zinc/54/39/51/484543951.db2.gz FUDNHPKYGFULRE-UHFFFAOYSA-N 2 0 353.511 -0.284 20 0 FBADRP O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000582253257 484545837 /nfs/dbraw/zinc/54/58/37/484545837.db2.gz WWZPFLUSOGMCAX-INIZCTEOSA-N 2 0 360.458 -0.262 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCCC23CC[NH+](C)CC3)C1 ZINC000582259035 484546814 /nfs/dbraw/zinc/54/68/14/484546814.db2.gz VRRAMPGSRLTBDT-HNNXBMFYSA-N 2 0 352.479 -0.090 20 0 FBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCCC23CC[NH+](C)CC3)C1 ZINC000582259036 484547592 /nfs/dbraw/zinc/54/75/92/484547592.db2.gz VRRAMPGSRLTBDT-OAHLLOKOSA-N 2 0 352.479 -0.090 20 0 FBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000582296831 484054408 /nfs/dbraw/zinc/05/44/08/484054408.db2.gz XZFIIXJGKKBEAM-CHWSQXEVSA-N 2 0 352.401 -0.262 20 0 FBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000582296832 484053558 /nfs/dbraw/zinc/05/35/58/484053558.db2.gz XZFIIXJGKKBEAM-OLZOCXBDSA-N 2 0 352.401 -0.262 20 0 FBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000582296833 484054618 /nfs/dbraw/zinc/05/46/18/484054618.db2.gz XZFIIXJGKKBEAM-QWHCGFSZSA-N 2 0 352.401 -0.262 20 0 FBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000582296834 484053720 /nfs/dbraw/zinc/05/37/20/484053720.db2.gz XZFIIXJGKKBEAM-STQMWFEESA-N 2 0 352.401 -0.262 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1ncnn1C(C)(C)C ZINC000582448534 484346898 /nfs/dbraw/zinc/34/68/98/484346898.db2.gz KDSGHZBYFKENMW-UHFFFAOYSA-N 2 0 367.498 -0.399 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000582472443 484471834 /nfs/dbraw/zinc/47/18/34/484471834.db2.gz BMRBBIBTCHTULR-AWEZNQCLSA-N 2 0 368.400 -0.536 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000582472444 484471190 /nfs/dbraw/zinc/47/11/90/484471190.db2.gz BMRBBIBTCHTULR-CQSZACIVSA-N 2 0 368.400 -0.536 20 0 FBADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1C[C@@H]2CC[NH+](C)[C@@H]2C1 ZINC000582472531 484471615 /nfs/dbraw/zinc/47/16/15/484471615.db2.gz OALIEAHNJNIXLD-HLLBOEOZSA-N 2 0 364.490 -0.139 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000582483198 484471705 /nfs/dbraw/zinc/47/17/05/484471705.db2.gz QWXYOFDKWAFNOZ-JKSUJKDBSA-N 3 0 353.511 -0.509 20 0 FBADRP CN1CCN(C(=O)CC[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000582487642 484471588 /nfs/dbraw/zinc/47/15/88/484471588.db2.gz OWNLKYAQOXLZDU-DLBZAZTESA-N 2 0 365.522 -0.269 20 0 FBADRP CN1CCN(C(=O)CC[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000582487643 484471554 /nfs/dbraw/zinc/47/15/54/484471554.db2.gz OWNLKYAQOXLZDU-IAGOWNOFSA-N 2 0 365.522 -0.269 20 0 FBADRP CN1CCN(C(=O)CC[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000582487644 484471715 /nfs/dbraw/zinc/47/17/15/484471715.db2.gz OWNLKYAQOXLZDU-IRXDYDNUSA-N 2 0 365.522 -0.269 20 0 FBADRP CN1CCN(C(=O)CC[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000582487645 484471340 /nfs/dbraw/zinc/47/13/40/484471340.db2.gz OWNLKYAQOXLZDU-SJORKVTESA-N 2 0 365.522 -0.269 20 0 FBADRP CC(=O)N1CCC(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000582503219 484472641 /nfs/dbraw/zinc/47/26/41/484472641.db2.gz IKKITNLGBAFCPW-UHFFFAOYSA-N 2 0 369.510 -0.687 20 0 FBADRP CN(C(=O)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000582540616 484475579 /nfs/dbraw/zinc/47/55/79/484475579.db2.gz JOKGCAUXBFHULE-IKGGRYGDSA-N 2 0 366.506 -0.108 20 0 FBADRP CN(C(=O)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000582540617 484475442 /nfs/dbraw/zinc/47/54/42/484475442.db2.gz JOKGCAUXBFHULE-ULQDDVLXSA-N 2 0 366.506 -0.108 20 0 FBADRP Cn1cnc2c1c(=O)n(CCC[N@@H+]1C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C1)c(=O)n2C ZINC000582548901 484473827 /nfs/dbraw/zinc/47/38/27/484473827.db2.gz FPUGVCLUVULNFJ-BFHYXJOUSA-N 2 0 360.462 -0.117 20 0 FBADRP Cn1cnc2c1c(=O)n(CCC[N@@H+]1C[C@@H]3CCC[C@H]([NH3+])[C@H]3C1)c(=O)n2C ZINC000582548902 484474383 /nfs/dbraw/zinc/47/43/83/484474383.db2.gz FPUGVCLUVULNFJ-IHRRRGAJSA-N 2 0 360.462 -0.117 20 0 FBADRP Cn1cnc2c1c(=O)n(CCC[N@@H+]1C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C1)c(=O)n2C ZINC000582548903 484473875 /nfs/dbraw/zinc/47/38/75/484473875.db2.gz FPUGVCLUVULNFJ-MELADBBJSA-N 2 0 360.462 -0.117 20 0 FBADRP Cn1cnc2c1c(=O)n(CCC[N@@H+]1C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C1)c(=O)n2C ZINC000582548904 484474148 /nfs/dbraw/zinc/47/41/48/484474148.db2.gz FPUGVCLUVULNFJ-MJBXVCDLSA-N 2 0 360.462 -0.117 20 0 FBADRP CC[NH+]1CCC(CNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000582585614 484348859 /nfs/dbraw/zinc/34/88/59/484348859.db2.gz IPPNDVJHCKXRSU-UHFFFAOYSA-N 2 0 350.467 0.231 20 0 FBADRP CC(C)[NH+]1CCC(NC(=O)CN2C(=O)N[C@]3(CCC[NH2+]C3)C2=O)CC1 ZINC000582663790 484479375 /nfs/dbraw/zinc/47/93/75/484479375.db2.gz HJCHTYYGHIUYNC-KRWDZBQOSA-N 2 0 351.451 -0.351 20 0 FBADRP CC(C)[NH+]1CCC(NC(=O)CN2C(=O)N[C@@]3(CCC[NH2+]C3)C2=O)CC1 ZINC000582663791 484479123 /nfs/dbraw/zinc/47/91/23/484479123.db2.gz HJCHTYYGHIUYNC-QGZVFWFLSA-N 2 0 351.451 -0.351 20 0 FBADRP C[C@@H](NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)C(=O)NCC[NH+]1CCCCC1 ZINC000582712088 484480405 /nfs/dbraw/zinc/48/04/05/484480405.db2.gz LJGZGLGHAMKTBT-CVEARBPZSA-N 2 0 351.495 -0.517 20 0 FBADRP C[C@@H](NC(=O)[C@H]1C[N@@H+]2CCN1CCC2)C(=O)NCC[NH+]1CCCCC1 ZINC000582712089 484480345 /nfs/dbraw/zinc/48/03/45/484480345.db2.gz LJGZGLGHAMKTBT-HZPDHXFCSA-N 2 0 351.495 -0.517 20 0 FBADRP CC(=O)N[C@H]1CCCN(C(=O)CN2C[C@@H](C[NH3+])C3(C2)CCOCC3)C1 ZINC000582726883 484481664 /nfs/dbraw/zinc/48/16/64/484481664.db2.gz ODFSUEPGHIWLMN-CVEARBPZSA-N 2 0 352.479 -0.199 20 0 FBADRP CC(=O)N[C@H]1CCCN(C(=O)CN2C[C@H](C[NH3+])C3(C2)CCOCC3)C1 ZINC000582726885 484481782 /nfs/dbraw/zinc/48/17/82/484481782.db2.gz ODFSUEPGHIWLMN-HOTGVXAUSA-N 2 0 352.479 -0.199 20 0 FBADRP CC(=O)N[C@@H]1CCCN(C(=O)CN2C[C@@H](C[NH3+])C3(C2)CCOCC3)C1 ZINC000582726887 484482612 /nfs/dbraw/zinc/48/26/12/484482612.db2.gz ODFSUEPGHIWLMN-HZPDHXFCSA-N 2 0 352.479 -0.199 20 0 FBADRP CC(=O)N[C@@H]1CCCN(C(=O)CN2C[C@H](C[NH3+])C3(C2)CCOCC3)C1 ZINC000582726889 484482264 /nfs/dbraw/zinc/48/22/64/484482264.db2.gz ODFSUEPGHIWLMN-JKSUJKDBSA-N 2 0 352.479 -0.199 20 0 FBADRP CN(C(=O)[C@@]1(C)CC[NH2+]C1)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000582727162 484482628 /nfs/dbraw/zinc/48/26/28/484482628.db2.gz RUQKSOJNVYIOCR-IBGZPJMESA-N 3 0 365.522 -0.317 20 0 FBADRP CN(C(=O)[C@]1(C)CC[NH2+]C1)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000582727164 484481755 /nfs/dbraw/zinc/48/17/55/484481755.db2.gz RUQKSOJNVYIOCR-LJQANCHMSA-N 3 0 365.522 -0.317 20 0 FBADRP C[C@@H](C(=O)N1CCN(c2ccccn2)CC1)N1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000582771053 484487272 /nfs/dbraw/zinc/48/72/72/484487272.db2.gz BLRZXXKMLRNTPT-JYJNAYRXSA-N 2 0 373.457 -0.292 20 0 FBADRP C[C@H](C(=O)N1CCN(c2ccccn2)CC1)N1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000582771058 484487532 /nfs/dbraw/zinc/48/75/32/484487532.db2.gz BLRZXXKMLRNTPT-PMPSAXMXSA-N 2 0 373.457 -0.292 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)CC[NH2+]1 ZINC000582775869 484490033 /nfs/dbraw/zinc/49/00/33/484490033.db2.gz SGYAXNKELJQZRZ-AEFFLSMTSA-N 2 0 373.501 -0.088 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)CC[NH2+]1 ZINC000582775870 484490602 /nfs/dbraw/zinc/49/06/02/484490602.db2.gz SGYAXNKELJQZRZ-SJLPKXTDSA-N 2 0 373.501 -0.088 20 0 FBADRP [NH3+]CCCn1cc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)nn1 ZINC000582843214 484506443 /nfs/dbraw/zinc/50/64/43/484506443.db2.gz ZYJGXSLJLJUACT-UHFFFAOYSA-N 3 0 372.477 -0.036 20 0 FBADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C2(n3cccn3)CC[NH2+]CC2)CC1 ZINC000582847459 484507906 /nfs/dbraw/zinc/50/79/06/484507906.db2.gz PKVUYLAYXBMFCV-UHFFFAOYSA-N 2 0 374.489 -0.272 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H]3C[NH+](C)CC[C@H]32)C1 ZINC000582851893 484507826 /nfs/dbraw/zinc/50/78/26/484507826.db2.gz SKRTWHJMGFKQQX-HRCADAONSA-N 2 0 352.479 -0.234 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H]3C[NH+](C)CC[C@@H]32)C1 ZINC000582851895 484507679 /nfs/dbraw/zinc/50/76/79/484507679.db2.gz SKRTWHJMGFKQQX-JYJNAYRXSA-N 2 0 352.479 -0.234 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]3C[NH+](C)CC[C@H]32)C1 ZINC000582851896 484507650 /nfs/dbraw/zinc/50/76/50/484507650.db2.gz SKRTWHJMGFKQQX-OWCLPIDISA-N 2 0 352.479 -0.234 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]3C[NH+](C)CC[C@@H]32)C1 ZINC000582851899 484507477 /nfs/dbraw/zinc/50/74/77/484507477.db2.gz SKRTWHJMGFKQQX-PMPSAXMXSA-N 2 0 352.479 -0.234 20 0 FBADRP C[C@H]1CN(C[C@H](O)C[N@H+](C)C2CC2)CCN1C[C@@H](O)C[NH+](C)C1CC1 ZINC000582874553 484507395 /nfs/dbraw/zinc/50/73/95/484507395.db2.gz RLWMNLTZYWLNNY-IPELMVKDSA-N 2 0 354.539 -0.097 20 0 FBADRP C[C@H]1CN(C[C@H](O)C[N@H+](C)C2CC2)CCN1C[C@H](O)C[NH+](C)C1CC1 ZINC000582874556 484507964 /nfs/dbraw/zinc/50/79/64/484507964.db2.gz RLWMNLTZYWLNNY-KFKAGJAMSA-N 2 0 354.539 -0.097 20 0 FBADRP C[C@H]1CN(C[C@@H](O)C[N@H+](C)C2CC2)CCN1C[C@@H](O)C[NH+](C)C1CC1 ZINC000582874558 484507600 /nfs/dbraw/zinc/50/76/00/484507600.db2.gz RLWMNLTZYWLNNY-SNRMKQJTSA-N 2 0 354.539 -0.097 20 0 FBADRP C[C@H]1CN(C[C@@H](O)C[N@H+](C)C2CC2)CCN1C[C@H](O)C[NH+](C)C1CC1 ZINC000582874559 484507805 /nfs/dbraw/zinc/50/78/05/484507805.db2.gz RLWMNLTZYWLNNY-ZYSHUDEJSA-N 2 0 354.539 -0.097 20 0 FBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000583024830 484512892 /nfs/dbraw/zinc/51/28/92/484512892.db2.gz MCBPRPJYNLFGBM-KBPBESRZSA-N 2 0 362.478 -0.308 20 0 FBADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000583024831 484513585 /nfs/dbraw/zinc/51/35/85/484513585.db2.gz MCBPRPJYNLFGBM-KGLIPLIRSA-N 2 0 362.478 -0.308 20 0 FBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000583024832 484513147 /nfs/dbraw/zinc/51/31/47/484513147.db2.gz MCBPRPJYNLFGBM-UONOGXRCSA-N 2 0 362.478 -0.308 20 0 FBADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000583024833 484512946 /nfs/dbraw/zinc/51/29/46/484512946.db2.gz MCBPRPJYNLFGBM-ZIAGYGMSSA-N 2 0 362.478 -0.308 20 0 FBADRP C[NH+](C)C1(CNC(=O)NCC(=O)N2CC[NH2+]CC2)Cc2ccccc2C1 ZINC000583133921 484518353 /nfs/dbraw/zinc/51/83/53/484518353.db2.gz TXAVNGWSORPGSF-UHFFFAOYSA-N 2 0 359.474 -0.183 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000583134757 484518646 /nfs/dbraw/zinc/51/86/46/484518646.db2.gz YUGHDAHKYPGDRV-KRWDZBQOSA-N 2 0 367.538 -0.071 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000583134758 484518469 /nfs/dbraw/zinc/51/84/69/484518469.db2.gz YUGHDAHKYPGDRV-QGZVFWFLSA-N 2 0 367.538 -0.071 20 0 FBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000583134842 484518154 /nfs/dbraw/zinc/51/81/54/484518154.db2.gz BQKSAIAEOUVKAU-DLBZAZTESA-N 2 0 367.538 -0.023 20 0 FBADRP C[C@H](CNC(=O)C(=O)N[C@H](C)C[NH+]1CCCCC1)C[NH+]1CCN(C)CC1 ZINC000583134843 484518224 /nfs/dbraw/zinc/51/82/24/484518224.db2.gz BQKSAIAEOUVKAU-IAGOWNOFSA-N 2 0 367.538 -0.023 20 0 FBADRP C[C@@H](CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCC1)C[NH+]1CCN(C)CC1 ZINC000583134844 484518444 /nfs/dbraw/zinc/51/84/44/484518444.db2.gz BQKSAIAEOUVKAU-IRXDYDNUSA-N 2 0 367.538 -0.023 20 0 FBADRP C[C@H](CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCC1)C[NH+]1CCN(C)CC1 ZINC000583134845 484518588 /nfs/dbraw/zinc/51/85/88/484518588.db2.gz BQKSAIAEOUVKAU-SJORKVTESA-N 2 0 367.538 -0.023 20 0 FBADRP CC(C)CN1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000583189956 484524775 /nfs/dbraw/zinc/52/47/75/484524775.db2.gz NQYXADIZSCMPJD-UHFFFAOYSA-N 2 0 355.527 -0.262 20 0 FBADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000583189995 484525428 /nfs/dbraw/zinc/52/54/28/484525428.db2.gz VGHFKVKNWFIOPE-UHFFFAOYSA-N 3 0 355.527 -0.119 20 0 FBADRP COCC1(C(=O)Nc2cccc(S(=O)(=O)NCC[NH3+])c2)CC[NH2+]CC1 ZINC000583263376 484537449 /nfs/dbraw/zinc/53/74/49/484537449.db2.gz GPMRTHDPOKJDGP-UHFFFAOYSA-N 2 0 370.475 -0.122 20 0 FBADRP O=C(N[C@H]1CCCC[NH2+]C1)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000583312515 484543045 /nfs/dbraw/zinc/54/30/45/484543045.db2.gz PRNRHYSPDNLAIL-INIZCTEOSA-N 2 0 352.479 -0.185 20 0 FBADRP O=C(N[C@@H]1CCCC[NH2+]C1)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000583312516 484543844 /nfs/dbraw/zinc/54/38/44/484543844.db2.gz PRNRHYSPDNLAIL-MRXNPFEDSA-N 2 0 352.479 -0.185 20 0 FBADRP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000583328028 484545735 /nfs/dbraw/zinc/54/57/35/484545735.db2.gz PIZHRGCPJQPKQO-CVEARBPZSA-N 2 0 352.479 -0.044 20 0 FBADRP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000583328029 484544846 /nfs/dbraw/zinc/54/48/46/484544846.db2.gz PIZHRGCPJQPKQO-HOTGVXAUSA-N 2 0 352.479 -0.044 20 0 FBADRP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000583328030 484545324 /nfs/dbraw/zinc/54/53/24/484545324.db2.gz PIZHRGCPJQPKQO-HZPDHXFCSA-N 2 0 352.479 -0.044 20 0 FBADRP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000583328031 484545615 /nfs/dbraw/zinc/54/56/15/484545615.db2.gz PIZHRGCPJQPKQO-JKSUJKDBSA-N 2 0 352.479 -0.044 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccn2ccnc2c1 ZINC000583340497 483408903 /nfs/dbraw/zinc/40/89/03/483408903.db2.gz BSVSJIAJCGDHMT-UHFFFAOYSA-N 2 0 360.462 -0.098 20 0 FBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)CCNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000583438654 483891421 /nfs/dbraw/zinc/89/14/21/483891421.db2.gz XHHYQJSAQGPUHS-CVEARBPZSA-N 2 0 351.495 -0.517 20 0 FBADRP CC[NH+]1CCN([C@H]2CCN(C(=O)CCNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000583438655 483891345 /nfs/dbraw/zinc/89/13/45/483891345.db2.gz XHHYQJSAQGPUHS-HOTGVXAUSA-N 2 0 351.495 -0.517 20 0 FBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)CCNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000583438656 483891398 /nfs/dbraw/zinc/89/13/98/483891398.db2.gz XHHYQJSAQGPUHS-HZPDHXFCSA-N 2 0 351.495 -0.517 20 0 FBADRP CC[NH+]1CCN([C@H]2CCN(C(=O)CCNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000583438657 483891446 /nfs/dbraw/zinc/89/14/46/483891446.db2.gz XHHYQJSAQGPUHS-JKSUJKDBSA-N 2 0 351.495 -0.517 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000583439046 483891306 /nfs/dbraw/zinc/89/13/06/483891306.db2.gz ULJYPUUUTKRSSX-CVEARBPZSA-N 2 0 353.511 -0.366 20 0 FBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000583439047 483891714 /nfs/dbraw/zinc/89/17/14/483891714.db2.gz ULJYPUUUTKRSSX-HOTGVXAUSA-N 2 0 353.511 -0.366 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000583439048 483891691 /nfs/dbraw/zinc/89/16/91/483891691.db2.gz ULJYPUUUTKRSSX-HZPDHXFCSA-N 2 0 353.511 -0.366 20 0 FBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000583439049 483891385 /nfs/dbraw/zinc/89/13/85/483891385.db2.gz ULJYPUUUTKRSSX-JKSUJKDBSA-N 2 0 353.511 -0.366 20 0 FBADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000583513522 484107957 /nfs/dbraw/zinc/10/79/57/484107957.db2.gz KLDHHDBVTBOSMV-CQSZACIVSA-N 2 0 352.479 -0.092 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000583518575 484113011 /nfs/dbraw/zinc/11/30/11/484113011.db2.gz JMAVJZKGUITQKJ-KFWWJZLASA-N 2 0 354.495 -0.132 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000583518576 484112839 /nfs/dbraw/zinc/11/28/39/484112839.db2.gz JMAVJZKGUITQKJ-RBSFLKMASA-N 2 0 354.495 -0.132 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000583518577 484113186 /nfs/dbraw/zinc/11/31/86/484113186.db2.gz JMAVJZKGUITQKJ-RRFJBIMHSA-N 2 0 354.495 -0.132 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000583518578 484112536 /nfs/dbraw/zinc/11/25/36/484112536.db2.gz JMAVJZKGUITQKJ-ZNMIVQPWSA-N 2 0 354.495 -0.132 20 0 FBADRP COC(=O)c1cncc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000583542831 484116579 /nfs/dbraw/zinc/11/65/79/484116579.db2.gz RWUUTBDMEWFXDW-UHFFFAOYSA-N 2 0 358.464 -0.018 20 0 FBADRP O=C(C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[NH+](CC2CCOCC2)CC1 ZINC000583625286 484214405 /nfs/dbraw/zinc/21/44/05/484214405.db2.gz DCXGGXXZPGWNRM-SJORKVTESA-N 2 0 364.490 -0.090 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)CC1=O ZINC000583640469 484267036 /nfs/dbraw/zinc/26/70/36/484267036.db2.gz LLUSUVVTOOJEGM-FZKCQIBNSA-N 2 0 352.479 -0.548 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)CC1=O ZINC000583640470 484267701 /nfs/dbraw/zinc/26/77/01/484267701.db2.gz LLUSUVVTOOJEGM-UGUYLWEFSA-N 2 0 352.479 -0.548 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)CC1=O ZINC000583640471 484267412 /nfs/dbraw/zinc/26/74/12/484267412.db2.gz LLUSUVVTOOJEGM-VGWMRTNUSA-N 2 0 352.479 -0.548 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)CC1=O ZINC000583640472 484268246 /nfs/dbraw/zinc/26/82/46/484268246.db2.gz LLUSUVVTOOJEGM-WCVJEAGWSA-N 2 0 352.479 -0.548 20 0 FBADRP C[NH+](C)CCn1c2cc(NC(=O)c3cn(CC[NH3+])nn3)ccc2oc1=O ZINC000583642428 484268149 /nfs/dbraw/zinc/26/81/49/484268149.db2.gz AZNNZQGJWOIGOM-UHFFFAOYSA-N 2 0 359.390 -0.041 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000583687397 484193991 /nfs/dbraw/zinc/19/39/91/484193991.db2.gz WBDINNCBSQWFNQ-INIZCTEOSA-N 3 0 355.527 -0.214 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000583687398 484194037 /nfs/dbraw/zinc/19/40/37/484194037.db2.gz WBDINNCBSQWFNQ-MRXNPFEDSA-N 3 0 355.527 -0.214 20 0 FBADRP CN(CCC[N@H+](C)Cc1ccco1)C(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000583687764 484193190 /nfs/dbraw/zinc/19/31/90/484193190.db2.gz SEXWYQCZGVFQQM-HNNXBMFYSA-N 2 0 365.478 -0.339 20 0 FBADRP CN(CCC[N@H+](C)Cc1ccco1)C(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000583687765 484194071 /nfs/dbraw/zinc/19/40/71/484194071.db2.gz SEXWYQCZGVFQQM-OAHLLOKOSA-N 2 0 365.478 -0.339 20 0 FBADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)c2cn(CCC[NH3+])nn2)c1 ZINC000583749544 484551843 /nfs/dbraw/zinc/55/18/43/484551843.db2.gz AQIKAXIXVLXOPW-UHFFFAOYSA-N 2 0 373.461 -0.152 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCN(C2CCC2)CC1 ZINC000583798333 484557964 /nfs/dbraw/zinc/55/79/64/484557964.db2.gz FWSCMKHSTRMCQO-UHFFFAOYSA-N 2 0 353.511 -0.365 20 0 FBADRP CCC(=O)N[C@H]1CCCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000583798405 484558191 /nfs/dbraw/zinc/55/81/91/484558191.db2.gz UAFLIGLTDFBUGS-HNNXBMFYSA-N 2 0 369.510 -0.545 20 0 FBADRP CCC(=O)N[C@@H]1CCCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000583798406 484558514 /nfs/dbraw/zinc/55/85/14/484558514.db2.gz UAFLIGLTDFBUGS-OAHLLOKOSA-N 2 0 369.510 -0.545 20 0 FBADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)NCC[N@@H+]2CCCOCC2)CC1 ZINC000583854853 484576997 /nfs/dbraw/zinc/57/69/97/484576997.db2.gz ACYQUTUDEHLSHI-UHFFFAOYSA-N 2 0 367.494 -0.342 20 0 FBADRP C[NH+](C)C1(CNC(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)CCCCCC1 ZINC000583921793 483400702 /nfs/dbraw/zinc/40/07/02/483400702.db2.gz RRZIWFLYRSNUMT-UHFFFAOYSA-N 2 0 367.494 -0.695 20 0 FBADRP COCC[NH2+]C1CCN(C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000583940856 483402812 /nfs/dbraw/zinc/40/28/12/483402812.db2.gz YCUGYDXNXIVIGJ-KRWDZBQOSA-N 2 0 372.535 -0.233 20 0 FBADRP COCC[NH2+]C1CCN(C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000583940857 483403248 /nfs/dbraw/zinc/40/32/48/483403248.db2.gz YCUGYDXNXIVIGJ-QGZVFWFLSA-N 2 0 372.535 -0.233 20 0 FBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000584007966 483476283 /nfs/dbraw/zinc/47/62/83/483476283.db2.gz VZKMXVWVQFJPBM-HNNXBMFYSA-N 2 0 367.494 -0.744 20 0 FBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000584007967 483476932 /nfs/dbraw/zinc/47/69/32/483476932.db2.gz VZKMXVWVQFJPBM-OAHLLOKOSA-N 2 0 367.494 -0.744 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000584012375 483477978 /nfs/dbraw/zinc/47/79/78/483477978.db2.gz PGDOSFVKTPJFQI-KRWDZBQOSA-N 2 0 365.522 -0.317 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000584012376 483477850 /nfs/dbraw/zinc/47/78/50/483477850.db2.gz PGDOSFVKTPJFQI-QGZVFWFLSA-N 2 0 365.522 -0.317 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)CC2)c1 ZINC000584047364 483580934 /nfs/dbraw/zinc/58/09/34/483580934.db2.gz OMQLBUROWRQIGA-BPUTZDHNSA-N 2 0 373.457 -0.066 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)CC2)c1 ZINC000584047365 483580055 /nfs/dbraw/zinc/58/00/55/483580055.db2.gz OMQLBUROWRQIGA-CWRNSKLLSA-N 2 0 373.457 -0.066 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)CC2)c1 ZINC000584047366 483580398 /nfs/dbraw/zinc/58/03/98/483580398.db2.gz OMQLBUROWRQIGA-IMJJTQAJSA-N 2 0 373.457 -0.066 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)CC2)c1 ZINC000584047367 483581173 /nfs/dbraw/zinc/58/11/73/483581173.db2.gz OMQLBUROWRQIGA-NUEKZKHPSA-N 2 0 373.457 -0.066 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000584047410 483581095 /nfs/dbraw/zinc/58/10/95/483581095.db2.gz WVPSCCUKTLYFDO-KRWDZBQOSA-N 3 0 367.538 -0.071 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000584047411 483580514 /nfs/dbraw/zinc/58/05/14/483580514.db2.gz WVPSCCUKTLYFDO-QGZVFWFLSA-N 3 0 367.538 -0.071 20 0 FBADRP [NH3+][C@H]1C[C@H]2CN(C(=O)NC3CCC(N4CC[NH2+]CC4)CC3)CCN2C1=O ZINC000584064462 483582404 /nfs/dbraw/zinc/58/24/04/483582404.db2.gz CUNGXTCXMVMNRE-CKUJCDMFSA-N 2 0 364.494 -0.844 20 0 FBADRP [NH3+][C@H]1C[C@@H]2CN(C(=O)NC3CCC(N4CC[NH2+]CC4)CC3)CCN2C1=O ZINC000584064463 483582333 /nfs/dbraw/zinc/58/23/33/483582333.db2.gz CUNGXTCXMVMNRE-FJBKBRRZSA-N 2 0 364.494 -0.844 20 0 FBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NC3CCC(N4CC[NH2+]CC4)CC3)CCN2C1=O ZINC000584064464 483581792 /nfs/dbraw/zinc/58/17/92/483581792.db2.gz CUNGXTCXMVMNRE-QDIHITRGSA-N 2 0 364.494 -0.844 20 0 FBADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)NC3CCC(N4CC[NH2+]CC4)CC3)CCN2C1=O ZINC000584064465 483582250 /nfs/dbraw/zinc/58/22/50/483582250.db2.gz CUNGXTCXMVMNRE-SSHXOBKSSA-N 2 0 364.494 -0.844 20 0 FBADRP CC(C)(CNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)[NH+]1CCCCC1 ZINC000584125230 483699095 /nfs/dbraw/zinc/69/90/95/483699095.db2.gz QSKLNQNJMJTDNK-KBPBESRZSA-N 2 0 365.478 -0.863 20 0 FBADRP CC(C)(CNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)[NH+]1CCCCC1 ZINC000584125231 483699248 /nfs/dbraw/zinc/69/92/48/483699248.db2.gz QSKLNQNJMJTDNK-KGLIPLIRSA-N 2 0 365.478 -0.863 20 0 FBADRP CC(C)(CNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)[NH+]1CCCCC1 ZINC000584125232 483699257 /nfs/dbraw/zinc/69/92/57/483699257.db2.gz QSKLNQNJMJTDNK-UONOGXRCSA-N 2 0 365.478 -0.863 20 0 FBADRP CC(C)(CNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)[NH+]1CCCCC1 ZINC000584125233 483699577 /nfs/dbraw/zinc/69/95/77/483699577.db2.gz QSKLNQNJMJTDNK-ZIAGYGMSSA-N 2 0 365.478 -0.863 20 0 FBADRP C[NH+](C[C@H](O)CN1CCCN(C[C@H](O)C[N@@H+](C)C2CC2)CC1)C1CC1 ZINC000584141792 483699881 /nfs/dbraw/zinc/69/98/81/483699881.db2.gz PPGOBSAZXIDUCA-KDURUIRLSA-N 2 0 354.539 -0.096 20 0 FBADRP C[NH+](C[C@H](O)CN1CCCN(C[C@@H](O)C[N@@H+](C)C2CC2)CC1)C1CC1 ZINC000584141793 483700113 /nfs/dbraw/zinc/70/01/13/483700113.db2.gz PPGOBSAZXIDUCA-OALUTQOASA-N 2 0 354.539 -0.096 20 0 FBADRP C[NH+](C[C@@H](O)CN1CCCN(C[C@H](O)C[N@@H+](C)C2CC2)CC1)C1CC1 ZINC000584141794 483699856 /nfs/dbraw/zinc/69/98/56/483699856.db2.gz PPGOBSAZXIDUCA-RTBURBONSA-N 2 0 354.539 -0.096 20 0 FBADRP CCN(CCC[NH+](CC)CC)C(=O)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000584163228 483700460 /nfs/dbraw/zinc/70/04/60/483700460.db2.gz LZPSNZMMWZIJBV-UHFFFAOYSA-N 2 0 355.483 -0.885 20 0 FBADRP C[NH+](C)CCn1c2cc(NC(=O)C(=O)N[C@H]3CC[NH2+]C3)ccc2oc1=O ZINC000584302342 483835401 /nfs/dbraw/zinc/83/54/01/483835401.db2.gz AVDDLBNJZYZQTP-LBPRGKRZSA-N 2 0 361.402 -0.427 20 0 FBADRP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000584332878 483438999 /nfs/dbraw/zinc/43/89/99/483438999.db2.gz OVTROEZWVSAPDO-DZUCGIPZSA-N 2 0 370.453 -0.030 20 0 FBADRP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000584332879 483438948 /nfs/dbraw/zinc/43/89/48/483438948.db2.gz OVTROEZWVSAPDO-PQEBFOHHSA-N 2 0 370.453 -0.030 20 0 FBADRP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000584332880 483438267 /nfs/dbraw/zinc/43/82/67/483438267.db2.gz OVTROEZWVSAPDO-QSPRXWTASA-N 2 0 370.453 -0.030 20 0 FBADRP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000584332881 483438738 /nfs/dbraw/zinc/43/87/38/483438738.db2.gz OVTROEZWVSAPDO-XBVQOTNRSA-N 2 0 370.453 -0.030 20 0 FBADRP C[C@@H]1CN(S(=O)(=O)N2CC[NH+](CC[C@H]3CC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000584341672 484263784 /nfs/dbraw/zinc/26/37/84/484263784.db2.gz IHMHNWZFXUGBFX-BZUAXINKSA-N 2 0 360.524 -0.042 20 0 FBADRP C[C@@H]1CN(S(=O)(=O)N2CC[NH+](CC[C@@H]3CC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000584341673 484264377 /nfs/dbraw/zinc/26/43/77/484264377.db2.gz IHMHNWZFXUGBFX-OAGGEKHMSA-N 2 0 360.524 -0.042 20 0 FBADRP C[C@@H]1CN(S(=O)(=O)N2CC[NH+](CC[C@H]3CC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000584341674 484264574 /nfs/dbraw/zinc/26/45/74/484264574.db2.gz IHMHNWZFXUGBFX-OWCLPIDISA-N 2 0 360.524 -0.042 20 0 FBADRP C[C@@H]1CN(S(=O)(=O)N2CC[NH+](CC[C@@H]3CC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000584341675 484264858 /nfs/dbraw/zinc/26/48/58/484264858.db2.gz IHMHNWZFXUGBFX-XHSDSOJGSA-N 2 0 360.524 -0.042 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000584369122 484511963 /nfs/dbraw/zinc/51/19/63/484511963.db2.gz YIOVBICEMBTWOS-DLBZAZTESA-N 2 0 365.522 -0.175 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000584369123 484511583 /nfs/dbraw/zinc/51/15/83/484511583.db2.gz YIOVBICEMBTWOS-IAGOWNOFSA-N 2 0 365.522 -0.175 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000584369124 484512338 /nfs/dbraw/zinc/51/23/38/484512338.db2.gz YIOVBICEMBTWOS-IRXDYDNUSA-N 2 0 365.522 -0.175 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000584369125 484512123 /nfs/dbraw/zinc/51/21/23/484512123.db2.gz YIOVBICEMBTWOS-SJORKVTESA-N 2 0 365.522 -0.175 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3C[C@@H]4CC[N@H+](C)[C@@H]4C3)CC2)c1 ZINC000584396631 484545422 /nfs/dbraw/zinc/54/54/22/484545422.db2.gz FGXKHRXSYWENQE-GOEBONIOSA-N 2 0 373.457 -0.099 20 0 FBADRP CN1CCN(C(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)[C@@H](C[NH3+])C1 ZINC000584408205 484547366 /nfs/dbraw/zinc/54/73/66/484547366.db2.gz AMQJMBKRMSGDGF-AWEZNQCLSA-N 2 0 368.459 -0.904 20 0 FBADRP CN1CCN(C(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)[C@H](C[NH3+])C1 ZINC000584408206 484546618 /nfs/dbraw/zinc/54/66/18/484546618.db2.gz AMQJMBKRMSGDGF-CQSZACIVSA-N 2 0 368.459 -0.904 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000584424639 484549233 /nfs/dbraw/zinc/54/92/33/484549233.db2.gz LJUFKMCSCYQCMX-UHFFFAOYSA-N 3 0 353.511 -0.319 20 0 FBADRP C[C@H](CN1CCOCC1)NC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000584425014 484549133 /nfs/dbraw/zinc/54/91/33/484549133.db2.gz CJZKYTXIEATDQC-BZUAXINKSA-N 2 0 352.479 -0.234 20 0 FBADRP C[C@H](CN1CCOCC1)NC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000584425015 484548591 /nfs/dbraw/zinc/54/85/91/484548591.db2.gz CJZKYTXIEATDQC-OAGGEKHMSA-N 2 0 352.479 -0.234 20 0 FBADRP C[C@H](CN1CCOCC1)NC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000584425016 484548752 /nfs/dbraw/zinc/54/87/52/484548752.db2.gz CJZKYTXIEATDQC-OWCLPIDISA-N 2 0 352.479 -0.234 20 0 FBADRP C[C@H](CN1CCOCC1)NC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000584425017 484548875 /nfs/dbraw/zinc/54/88/75/484548875.db2.gz CJZKYTXIEATDQC-PMPSAXMXSA-N 2 0 352.479 -0.234 20 0 FBADRP C[NH+]1CCN(Cc2ccc(C(=O)NCC(=O)N3CC[NH2+]CC3)cc2)CC1 ZINC000584472561 484579839 /nfs/dbraw/zinc/57/98/39/484579839.db2.gz UODNHOAWGBHAAC-UHFFFAOYSA-N 2 0 359.474 -0.404 20 0 FBADRP Cn1cnc2c1c(=O)n(CCC[N@@H+]1CC[C@]3(C1)CCC[NH2+]C3)c(=O)n2C ZINC000584616296 484597949 /nfs/dbraw/zinc/59/79/49/484597949.db2.gz JLKPUVXDNBVTNM-GOSISDBHSA-N 2 0 360.462 -0.101 20 0 FBADRP Cn1cnc2c1c(=O)n(CCC[N@@H+]1CC[C@@]3(C1)CCC[NH2+]C3)c(=O)n2C ZINC000584616299 484597975 /nfs/dbraw/zinc/59/79/75/484597975.db2.gz JLKPUVXDNBVTNM-SFHVURJKSA-N 2 0 360.462 -0.101 20 0 FBADRP O=c1onc(-c2ccccc2)n1C[C@@H](O)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000584719306 484603507 /nfs/dbraw/zinc/60/35/07/484603507.db2.gz FESXSUVXKJMMEF-CVEARBPZSA-N 2 0 362.430 -0.090 20 0 FBADRP O=c1onc(-c2ccccc2)n1C[C@@H](O)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000584719409 484603262 /nfs/dbraw/zinc/60/32/62/484603262.db2.gz FESXSUVXKJMMEF-HOTGVXAUSA-N 2 0 362.430 -0.090 20 0 FBADRP O=c1onc(-c2ccccc2)n1C[C@H](O)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000584719410 484603596 /nfs/dbraw/zinc/60/35/96/484603596.db2.gz FESXSUVXKJMMEF-HZPDHXFCSA-N 2 0 362.430 -0.090 20 0 FBADRP O=c1onc(-c2ccccc2)n1C[C@H](O)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000584719411 484603387 /nfs/dbraw/zinc/60/33/87/484603387.db2.gz FESXSUVXKJMMEF-JKSUJKDBSA-N 2 0 362.430 -0.090 20 0 FBADRP CN(C(=O)C(=O)NCCCC[NH+]1CCOCC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000584734734 484605419 /nfs/dbraw/zinc/60/54/19/484605419.db2.gz AWIWDPPRSKTXCV-INIZCTEOSA-N 2 0 352.479 -0.090 20 0 FBADRP CN(C(=O)C(=O)NCCCC[NH+]1CCOCC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000584734735 484604956 /nfs/dbraw/zinc/60/49/56/484604956.db2.gz AWIWDPPRSKTXCV-MRXNPFEDSA-N 2 0 352.479 -0.090 20 0 FBADRP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[C@@H]([NH+]4CCCCC4)C3)C[C@H]2[NH3+])cn1 ZINC000584776233 484607292 /nfs/dbraw/zinc/60/72/92/484607292.db2.gz NUABFVVJSRJZTL-IXDOHACOSA-N 2 0 374.489 -0.240 20 0 FBADRP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[C@H]([NH+]4CCCCC4)C3)C[C@H]2[NH3+])cn1 ZINC000584776234 484607841 /nfs/dbraw/zinc/60/78/41/484607841.db2.gz NUABFVVJSRJZTL-YESZJQIVSA-N 2 0 374.489 -0.240 20 0 FBADRP O=C(C(=O)N1CC[N@@H+]2CCC[C@H]2C1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000584825133 484610797 /nfs/dbraw/zinc/61/07/97/484610797.db2.gz DAAOSIMFMSRHHR-KRWDZBQOSA-N 2 0 364.490 -0.136 20 0 FBADRP O=C(C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000584825142 484610404 /nfs/dbraw/zinc/61/04/04/484610404.db2.gz DAAOSIMFMSRHHR-QGZVFWFLSA-N 2 0 364.490 -0.136 20 0 FBADRP CCCN(CC[NH+](CC)CC)C(=O)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000584829657 484611888 /nfs/dbraw/zinc/61/18/88/484611888.db2.gz NYFRZDPAISCWPP-UHFFFAOYSA-N 2 0 355.483 -0.885 20 0 FBADRP CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](N3CC[NH+](CC)CC3)C2)CC1 ZINC000585688424 484094216 /nfs/dbraw/zinc/09/42/16/484094216.db2.gz NIVYJUYGROVGKB-KRWDZBQOSA-N 2 0 365.522 -0.175 20 0 FBADRP CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](N3CC[NH+](CC)CC3)C2)CC1 ZINC000585688428 484093488 /nfs/dbraw/zinc/09/34/88/484093488.db2.gz NIVYJUYGROVGKB-QGZVFWFLSA-N 2 0 365.522 -0.175 20 0 FBADRP CC[N@H+]1C[C@H](NC(=O)C(=O)N2CC[C@@H](N3CC[NH+](CC)CC3)C2)[C@@H](C)C1 ZINC000589034555 484243205 /nfs/dbraw/zinc/24/32/05/484243205.db2.gz VALHWNILJRSPHQ-BBWFWOEESA-N 2 0 365.522 -0.319 20 0 FBADRP CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)N2CC[C@@H](N3CC[NH+](CC)CC3)C2)C1 ZINC000589034557 484242976 /nfs/dbraw/zinc/24/29/76/484242976.db2.gz VALHWNILJRSPHQ-BRWVUGGUSA-N 2 0 365.522 -0.319 20 0 FBADRP CC[N@@H+]1C[C@H](C)[C@H](NC(=O)C(=O)N2CC[C@@H](N3CC[NH+](CC)CC3)C2)C1 ZINC000589034558 484243558 /nfs/dbraw/zinc/24/35/58/484243558.db2.gz VALHWNILJRSPHQ-GVDBMIGSSA-N 2 0 365.522 -0.319 20 0 FBADRP CC[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C(=O)N2CC[C@@H](N3CC[NH+](CC)CC3)C2)C1 ZINC000589034560 484243976 /nfs/dbraw/zinc/24/39/76/484243976.db2.gz VALHWNILJRSPHQ-ZACQAIPSSA-N 2 0 365.522 -0.319 20 0 FBADRP NS(=O)(=O)c1ccc(CCNC(=O)CC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000590928719 483597470 /nfs/dbraw/zinc/59/74/70/483597470.db2.gz RUKWJQCTBSSNSG-GJZGRUSLSA-N 2 0 366.487 -0.466 20 0 FBADRP NS(=O)(=O)c1ccc(CCNC(=O)CC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000590928720 483597455 /nfs/dbraw/zinc/59/74/55/483597455.db2.gz RUKWJQCTBSSNSG-HUUCEWRRSA-N 2 0 366.487 -0.466 20 0 FBADRP COC(=O)[C@@]1(C)CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000590983017 483600574 /nfs/dbraw/zinc/60/05/74/483600574.db2.gz LIDJKKASTPKQSI-KRWDZBQOSA-N 2 0 356.467 -0.650 20 0 FBADRP COC(=O)[C@]1(C)CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000590983018 483600077 /nfs/dbraw/zinc/60/00/77/483600077.db2.gz LIDJKKASTPKQSI-QGZVFWFLSA-N 2 0 356.467 -0.650 20 0 FBADRP COC(=O)[C@]1(C)CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[C@H]1C ZINC000590983020 483600459 /nfs/dbraw/zinc/60/04/59/483600459.db2.gz LQPYDHPCUYDSAS-RDTXWAMCSA-N 2 0 370.494 -0.404 20 0 FBADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N3CC[NH2+][C@@H](C(C)C)C3)C2)CC1 ZINC000591577514 483624951 /nfs/dbraw/zinc/62/49/51/483624951.db2.gz VRBRTUYNWNOXQS-DLBZAZTESA-N 2 0 365.522 -0.319 20 0 FBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N3CC[NH2+][C@@H](C(C)C)C3)C2)CC1 ZINC000591577515 483624887 /nfs/dbraw/zinc/62/48/87/483624887.db2.gz VRBRTUYNWNOXQS-IAGOWNOFSA-N 2 0 365.522 -0.319 20 0 FBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)CN3CCCC[C@H]([NH3+])C3=O)C2)CC1 ZINC000591633464 483625801 /nfs/dbraw/zinc/62/58/01/483625801.db2.gz AVUCYGAFEIJWKZ-CVEARBPZSA-N 2 0 351.495 -0.435 20 0 FBADRP CC[NH+]1CCN([C@H]2CCN(C(=O)CN3CCCC[C@H]([NH3+])C3=O)C2)CC1 ZINC000591633467 483626756 /nfs/dbraw/zinc/62/67/56/483626756.db2.gz AVUCYGAFEIJWKZ-HOTGVXAUSA-N 2 0 351.495 -0.435 20 0 FBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)CN3CCCC[C@@H]([NH3+])C3=O)C2)CC1 ZINC000591633468 483627048 /nfs/dbraw/zinc/62/70/48/483627048.db2.gz AVUCYGAFEIJWKZ-HZPDHXFCSA-N 2 0 351.495 -0.435 20 0 FBADRP CC[NH+]1CCN([C@H]2CCN(C(=O)CN3CCCC[C@@H]([NH3+])C3=O)C2)CC1 ZINC000591633469 483627668 /nfs/dbraw/zinc/62/76/68/483627668.db2.gz AVUCYGAFEIJWKZ-JKSUJKDBSA-N 2 0 351.495 -0.435 20 0 FBADRP COC(=O)[C@@H]1C[C@@H](O)C[NH+](CCCC[N@@H+]2C[C@H](C(=O)OC)C[C@H](O)C2)C1 ZINC000592204412 483658999 /nfs/dbraw/zinc/65/89/99/483658999.db2.gz ITJBARNMKZDGJE-FPCVCCKLSA-N 2 0 372.462 -0.522 20 0 FBADRP COC(=O)[C@@H]1C[C@H](O)C[NH+](CCCC[N@H+]2C[C@@H](O)C[C@H](C(=O)OC)C2)C1 ZINC000592204426 483658162 /nfs/dbraw/zinc/65/81/62/483658162.db2.gz ITJBARNMKZDGJE-FZKCQIBNSA-N 2 0 372.462 -0.522 20 0 FBADRP COC(=O)[C@@H]1C[C@H](O)C[NH+](CCCC[N@H+]2C[C@H](O)C[C@H](C(=O)OC)C2)C1 ZINC000592204428 483659110 /nfs/dbraw/zinc/65/91/10/483659110.db2.gz ITJBARNMKZDGJE-SYMSYNOKSA-N 2 0 372.462 -0.522 20 0 FBADRP COC(=O)[C@@H]1C[C@H](O)C[NH+](CCCC[N@@H+]2C[C@H](C(=O)OC)C[C@H](O)C2)C1 ZINC000592204431 483658934 /nfs/dbraw/zinc/65/89/34/483658934.db2.gz ITJBARNMKZDGJE-WCVJEAGWSA-N 2 0 372.462 -0.522 20 0 FBADRP COC(=O)[C@@H]1C[C@@H](O)C[NH+](C/C=C\C[N@@H+]2C[C@H](C(=O)OC)C[C@H](O)C2)C1 ZINC000592208103 483658479 /nfs/dbraw/zinc/65/84/79/483658479.db2.gz RWJPLSBDVRZCCY-KATZGCASSA-N 2 0 370.446 -0.746 20 0 FBADRP COC(=O)[C@@H]1C[C@H](O)C[NH+](C/C=C/C[N@H+]2C[C@H](O)C[C@H](C(=O)OC)C2)C1 ZINC000592208104 483659018 /nfs/dbraw/zinc/65/90/18/483659018.db2.gz RWJPLSBDVRZCCY-RWGICRFRSA-N 2 0 370.446 -0.746 20 0 FBADRP COC(=O)[C@@H]1C[C@@H](O)C[NH+](C/C=C/C[N@@H+]2C[C@H](C(=O)OC)C[C@H](O)C2)C1 ZINC000592208105 483657942 /nfs/dbraw/zinc/65/79/42/483657942.db2.gz RWJPLSBDVRZCCY-VCFYFLBXSA-N 2 0 370.446 -0.746 20 0 FBADRP COC(=O)[C@@H]1C[C@H](O)C[NH+](C/C=C\C[N@H+]2C[C@H](O)C[C@H](C(=O)OC)C2)C1 ZINC000592208106 483658770 /nfs/dbraw/zinc/65/87/70/483658770.db2.gz RWJPLSBDVRZCCY-XZBYNNTFSA-N 2 0 370.446 -0.746 20 0 FBADRP COC(=O)[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[C@H]1C ZINC000592436711 483667239 /nfs/dbraw/zinc/66/72/39/483667239.db2.gz KRIRJICSYHEKHM-ZIAGYGMSSA-N 2 0 356.467 -0.794 20 0 FBADRP O=C(C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)NC(=O)NC1CCCC1 ZINC000592471057 483669378 /nfs/dbraw/zinc/66/93/78/483669378.db2.gz MBESYWWNZQYPEL-AWEZNQCLSA-N 2 0 365.478 -0.101 20 0 FBADRP O=C(C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)NC(=O)NC1CCCC1 ZINC000592471061 483669062 /nfs/dbraw/zinc/66/90/62/483669062.db2.gz MBESYWWNZQYPEL-CQSZACIVSA-N 2 0 365.478 -0.101 20 0 FBADRP COC(=O)CN(C)C(=O)CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000592479420 483669015 /nfs/dbraw/zinc/66/90/15/483669015.db2.gz XVSHXHVLSCGZFA-CABCVRRESA-N 2 0 368.478 -0.412 20 0 FBADRP COC(=O)CN(C)C(=O)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000592479421 483669087 /nfs/dbraw/zinc/66/90/87/483669087.db2.gz XVSHXHVLSCGZFA-GJZGRUSLSA-N 2 0 368.478 -0.412 20 0 FBADRP COC(=O)CN(C)C(=O)CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000592479422 483669334 /nfs/dbraw/zinc/66/93/34/483669334.db2.gz XVSHXHVLSCGZFA-HUUCEWRRSA-N 2 0 368.478 -0.412 20 0 FBADRP COC(=O)CN(C)C(=O)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000592479423 483669003 /nfs/dbraw/zinc/66/90/03/483669003.db2.gz XVSHXHVLSCGZFA-LSDHHAIUSA-N 2 0 368.478 -0.412 20 0 FBADRP COCCNC(=O)C1CC[NH+]([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)CC1 ZINC000592823950 483673280 /nfs/dbraw/zinc/67/32/80/483673280.db2.gz DZTPGCDWYKJGTK-AWEZNQCLSA-N 2 0 354.451 -0.850 20 0 FBADRP COCCNC(=O)C1CC[NH+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)CC1 ZINC000592823951 483673645 /nfs/dbraw/zinc/67/36/45/483673645.db2.gz DZTPGCDWYKJGTK-CQSZACIVSA-N 2 0 354.451 -0.850 20 0 FBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000592824051 483673663 /nfs/dbraw/zinc/67/36/63/483673663.db2.gz REQPZVVSQFTLRA-HZPDHXFCSA-N 2 0 368.526 -0.491 20 0 FBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000592824057 483673683 /nfs/dbraw/zinc/67/36/83/483673683.db2.gz REQPZVVSQFTLRA-JKSUJKDBSA-N 2 0 368.526 -0.491 20 0 FBADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)CN3CCCC[C@@H]([NH3+])C3=O)C2)CC1 ZINC000592964775 483678202 /nfs/dbraw/zinc/67/82/02/483678202.db2.gz JZYKPEFZSBQHJV-DLBZAZTESA-N 2 0 365.522 -0.047 20 0 FBADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)CN3CCCC[C@@H]([NH3+])C3=O)C2)CC1 ZINC000592964797 483678133 /nfs/dbraw/zinc/67/81/33/483678133.db2.gz JZYKPEFZSBQHJV-IAGOWNOFSA-N 2 0 365.522 -0.047 20 0 FBADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)CN3CCCC[C@H]([NH3+])C3=O)C2)CC1 ZINC000592964799 483677810 /nfs/dbraw/zinc/67/78/10/483677810.db2.gz JZYKPEFZSBQHJV-IRXDYDNUSA-N 2 0 365.522 -0.047 20 0 FBADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)CN3CCCC[C@H]([NH3+])C3=O)C2)CC1 ZINC000592964800 483677798 /nfs/dbraw/zinc/67/77/98/483677798.db2.gz JZYKPEFZSBQHJV-SJORKVTESA-N 2 0 365.522 -0.047 20 0 FBADRP COC(=O)[C@@H]1C[NH2+]CCCN1CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000592984932 483677693 /nfs/dbraw/zinc/67/76/93/483677693.db2.gz WVTZXLSTFUWPJR-CVEARBPZSA-N 2 0 370.494 -0.704 20 0 FBADRP COC(=O)[C@@H]1C[NH2+]CCCN1CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000592984935 483678223 /nfs/dbraw/zinc/67/82/23/483678223.db2.gz WVTZXLSTFUWPJR-HOTGVXAUSA-N 2 0 370.494 -0.704 20 0 FBADRP COC(=O)[C@H]1C[NH2+]CCCN1CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000592984937 483677766 /nfs/dbraw/zinc/67/77/66/483677766.db2.gz WVTZXLSTFUWPJR-HZPDHXFCSA-N 2 0 370.494 -0.704 20 0 FBADRP COC(=O)[C@H]1C[NH2+]CCCN1CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000592984939 483678207 /nfs/dbraw/zinc/67/82/07/483678207.db2.gz WVTZXLSTFUWPJR-JKSUJKDBSA-N 2 0 370.494 -0.704 20 0 FBADRP COC(=O)c1cccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)n1 ZINC000593594920 483687649 /nfs/dbraw/zinc/68/76/49/483687649.db2.gz HTTSCIPGEKBYSL-UHFFFAOYSA-N 2 0 365.434 -0.242 20 0 FBADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NCCC3CC[NH2+]CC3)C2)CC1 ZINC000593784808 483693044 /nfs/dbraw/zinc/69/30/44/483693044.db2.gz CJLVRYLEBDKYMX-KRWDZBQOSA-N 2 0 365.522 -0.269 20 0 FBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NCCC3CC[NH2+]CC3)C2)CC1 ZINC000593784809 483693328 /nfs/dbraw/zinc/69/33/28/483693328.db2.gz CJLVRYLEBDKYMX-QGZVFWFLSA-N 2 0 365.522 -0.269 20 0 FBADRP CN1CC[NH+](CCCCNC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000594090799 483697901 /nfs/dbraw/zinc/69/79/01/483697901.db2.gz ZARVNNYHHWHPCP-INIZCTEOSA-N 2 0 368.526 -0.347 20 0 FBADRP CN1CC[NH+](CCCCNC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000594090800 483697751 /nfs/dbraw/zinc/69/77/51/483697751.db2.gz ZARVNNYHHWHPCP-MRXNPFEDSA-N 2 0 368.526 -0.347 20 0 FBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCCCC[NH+]1CCOCC1 ZINC000594104006 483698124 /nfs/dbraw/zinc/69/81/24/483698124.db2.gz SAPNRBBORKQHGC-HNNXBMFYSA-N 2 0 355.483 -0.262 20 0 FBADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCCCC[NH+]1CCOCC1 ZINC000594104007 483697740 /nfs/dbraw/zinc/69/77/40/483697740.db2.gz SAPNRBBORKQHGC-OAHLLOKOSA-N 2 0 355.483 -0.262 20 0 FBADRP C[NH+]1CCC[C@@H](CNC(=O)COCC(=O)NC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000594695143 483709231 /nfs/dbraw/zinc/70/92/31/483709231.db2.gz HANCIHRCZLQGBF-HOTGVXAUSA-N 2 0 354.495 -0.081 20 0 FBADRP C[NH+]1CCC[C@H](CNC(=O)COCC(=O)NC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000594695144 483709215 /nfs/dbraw/zinc/70/92/15/483709215.db2.gz HANCIHRCZLQGBF-HZPDHXFCSA-N 2 0 354.495 -0.081 20 0 FBADRP C[NH+]1CCC[C@@H](CNC(=O)COCC(=O)NC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000594695145 483709374 /nfs/dbraw/zinc/70/93/74/483709374.db2.gz HANCIHRCZLQGBF-IYBDPMFKSA-N 2 0 354.495 -0.081 20 0 FBADRP C[NH+]1CCN(Cc2ccc(C(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)cc2)CC1 ZINC000594879650 483715849 /nfs/dbraw/zinc/71/58/49/483715849.db2.gz FQGOKXVNOOXBGM-MSOLQXFVSA-N 2 0 371.485 -0.182 20 0 FBADRP C[NH+]1CCN(Cc2ccc(C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)cc2)CC1 ZINC000594879651 483715809 /nfs/dbraw/zinc/71/58/09/483715809.db2.gz FQGOKXVNOOXBGM-QZTJIDSGSA-N 2 0 371.485 -0.182 20 0 FBADRP C[NH+]1CCN(Cc2ccc(C(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)cc2)CC1 ZINC000594879652 483715711 /nfs/dbraw/zinc/71/57/11/483715711.db2.gz FQGOKXVNOOXBGM-ROUUACIJSA-N 2 0 371.485 -0.182 20 0 FBADRP C[NH+]1CCN(Cc2ccc(C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)cc2)CC1 ZINC000594879653 483715868 /nfs/dbraw/zinc/71/58/68/483715868.db2.gz FQGOKXVNOOXBGM-ZWKOTPCHSA-N 2 0 371.485 -0.182 20 0 FBADRP COC(=O)CCN1CCN(C(=O)C(=O)N(C)CC2C[NH+](C)C2)[C@H](C)C1 ZINC000595172360 483721980 /nfs/dbraw/zinc/72/19/80/483721980.db2.gz GOZPERULGVEWNC-CYBMUJFWSA-N 2 0 354.451 -0.898 20 0 FBADRP COC(=O)CCN1CCN(C(=O)C(=O)N(C)CC2C[NH+](C)C2)[C@@H](C)C1 ZINC000595172361 483721942 /nfs/dbraw/zinc/72/19/42/483721942.db2.gz GOZPERULGVEWNC-ZDUSSCGKSA-N 2 0 354.451 -0.898 20 0 FBADRP CCN(C(=O)C(=O)N1CC[C@H](N2CC[NH+](CC)CC2)C1)[C@@H]1CC[N@H+](C)C1 ZINC000595202668 483723394 /nfs/dbraw/zinc/72/33/94/483723394.db2.gz NCMAMTKHSOTFFF-DLBZAZTESA-N 2 0 365.522 -0.223 20 0 FBADRP CCN(C(=O)C(=O)N1CC[C@@H](N2CC[NH+](CC)CC2)C1)[C@@H]1CC[N@H+](C)C1 ZINC000595202695 483723295 /nfs/dbraw/zinc/72/32/95/483723295.db2.gz NCMAMTKHSOTFFF-IAGOWNOFSA-N 2 0 365.522 -0.223 20 0 FBADRP CCN(C(=O)C(=O)N1CC[C@H](N2CC[NH+](CC)CC2)C1)[C@H]1CC[N@H+](C)C1 ZINC000595202696 483723508 /nfs/dbraw/zinc/72/35/08/483723508.db2.gz NCMAMTKHSOTFFF-IRXDYDNUSA-N 2 0 365.522 -0.223 20 0 FBADRP CCN(C(=O)C(=O)N1CC[C@@H](N2CC[NH+](CC)CC2)C1)[C@H]1CC[N@H+](C)C1 ZINC000595202697 483723460 /nfs/dbraw/zinc/72/34/60/483723460.db2.gz NCMAMTKHSOTFFF-SJORKVTESA-N 2 0 365.522 -0.223 20 0 FBADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1 ZINC000595242286 483725177 /nfs/dbraw/zinc/72/51/77/483725177.db2.gz QFIFDBHECHBXBX-CABCVRRESA-N 2 0 359.430 -0.543 20 0 FBADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1 ZINC000595242287 483725211 /nfs/dbraw/zinc/72/52/11/483725211.db2.gz QFIFDBHECHBXBX-GJZGRUSLSA-N 2 0 359.430 -0.543 20 0 FBADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1 ZINC000595242288 483724875 /nfs/dbraw/zinc/72/48/75/483724875.db2.gz QFIFDBHECHBXBX-HUUCEWRRSA-N 2 0 359.430 -0.543 20 0 FBADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1 ZINC000595242289 483724910 /nfs/dbraw/zinc/72/49/10/483724910.db2.gz QFIFDBHECHBXBX-LSDHHAIUSA-N 2 0 359.430 -0.543 20 0 FBADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)C2)CC1 ZINC000595266589 483727478 /nfs/dbraw/zinc/72/74/78/483727478.db2.gz XLSDVXBVZJOLBG-BPUTZDHNSA-N 2 0 364.494 -0.892 20 0 FBADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)C2)CC1 ZINC000595266591 483727657 /nfs/dbraw/zinc/72/76/57/483727657.db2.gz XLSDVXBVZJOLBG-CWRNSKLLSA-N 2 0 364.494 -0.892 20 0 FBADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)C2)CC1 ZINC000595266592 483728008 /nfs/dbraw/zinc/72/80/08/483728008.db2.gz XLSDVXBVZJOLBG-IMJJTQAJSA-N 2 0 364.494 -0.892 20 0 FBADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)C2)CC1 ZINC000595266593 483727648 /nfs/dbraw/zinc/72/76/48/483727648.db2.gz XLSDVXBVZJOLBG-NUEKZKHPSA-N 2 0 364.494 -0.892 20 0 FBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NC3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)CCN2C1=O ZINC000595268683 483725163 /nfs/dbraw/zinc/72/51/63/483725163.db2.gz MFDCQRWPVZRMIE-FPCVCCKLSA-N 2 0 365.478 -0.682 20 0 FBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NC3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)CCN2C1=O ZINC000595268684 483724823 /nfs/dbraw/zinc/72/48/23/483724823.db2.gz MFDCQRWPVZRMIE-KLHDSHLOSA-N 2 0 365.478 -0.682 20 0 FBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NC3CC[NH+]([C@H]4CCC[C@H]4O)CC3)CCN2C1=O ZINC000595268685 483724916 /nfs/dbraw/zinc/72/49/16/483724916.db2.gz MFDCQRWPVZRMIE-LVQVYYBASA-N 2 0 365.478 -0.682 20 0 FBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NC3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)CCN2C1=O ZINC000595268686 483725144 /nfs/dbraw/zinc/72/51/44/483725144.db2.gz MFDCQRWPVZRMIE-WCVJEAGWSA-N 2 0 365.478 -0.682 20 0 FBADRP CCCC[NH+]1CCC(NC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC1 ZINC000595277286 483726458 /nfs/dbraw/zinc/72/64/58/483726458.db2.gz JLVKODCANPRTTB-CABCVRRESA-N 2 0 365.478 -0.863 20 0 FBADRP CCCC[NH+]1CCC(NC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC1 ZINC000595277288 483726283 /nfs/dbraw/zinc/72/62/83/483726283.db2.gz JLVKODCANPRTTB-GJZGRUSLSA-N 2 0 365.478 -0.863 20 0 FBADRP CCCC[NH+]1CCC(NC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC1 ZINC000595277290 483726512 /nfs/dbraw/zinc/72/65/12/483726512.db2.gz JLVKODCANPRTTB-HUUCEWRRSA-N 2 0 365.478 -0.863 20 0 FBADRP CCCC[NH+]1CCC(NC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC1 ZINC000595277292 483726307 /nfs/dbraw/zinc/72/63/07/483726307.db2.gz JLVKODCANPRTTB-LSDHHAIUSA-N 2 0 365.478 -0.863 20 0 FBADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NCC3([NH3+])CCCC3)C2)CC1 ZINC000595277624 483726404 /nfs/dbraw/zinc/72/64/04/483726404.db2.gz CHFWNPPRCGMCQB-HNNXBMFYSA-N 2 0 351.495 -0.388 20 0 FBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NCC3([NH3+])CCCC3)C2)CC1 ZINC000595277625 483726329 /nfs/dbraw/zinc/72/63/29/483726329.db2.gz CHFWNPPRCGMCQB-OAHLLOKOSA-N 2 0 351.495 -0.388 20 0 FBADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CCCCC1 ZINC000595281287 483726465 /nfs/dbraw/zinc/72/64/65/483726465.db2.gz GUCQGHXPUNGMSN-KBPBESRZSA-N 2 0 365.478 -0.863 20 0 FBADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CCCCC1 ZINC000595281290 483726487 /nfs/dbraw/zinc/72/64/87/483726487.db2.gz GUCQGHXPUNGMSN-KGLIPLIRSA-N 2 0 365.478 -0.863 20 0 FBADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CCCCC1 ZINC000595281291 483726227 /nfs/dbraw/zinc/72/62/27/483726227.db2.gz GUCQGHXPUNGMSN-UONOGXRCSA-N 2 0 365.478 -0.863 20 0 FBADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CCCCC1 ZINC000595281292 483726479 /nfs/dbraw/zinc/72/64/79/483726479.db2.gz GUCQGHXPUNGMSN-ZIAGYGMSSA-N 2 0 365.478 -0.863 20 0 FBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NCC[C@@H]([NH3+])C(C)C)C2)CC1 ZINC000595281444 483726187 /nfs/dbraw/zinc/72/61/87/483726187.db2.gz LLCYLHVEMTTYBI-HZPDHXFCSA-N 2 0 353.511 -0.286 20 0 FBADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NCC[C@@H]([NH3+])C(C)C)C2)CC1 ZINC000595281450 483726441 /nfs/dbraw/zinc/72/64/41/483726441.db2.gz LLCYLHVEMTTYBI-JKSUJKDBSA-N 2 0 353.511 -0.286 20 0 FBADRP CC1(C)CC(NC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC(C)(C)[NH2+]1 ZINC000595282707 483726941 /nfs/dbraw/zinc/72/69/41/483726941.db2.gz YPJSVKNZVYRVNA-CHWSQXEVSA-N 2 0 365.478 -0.818 20 0 FBADRP CC1(C)CC(NC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC(C)(C)[NH2+]1 ZINC000595282708 483727188 /nfs/dbraw/zinc/72/71/88/483727188.db2.gz YPJSVKNZVYRVNA-OLZOCXBDSA-N 2 0 365.478 -0.818 20 0 FBADRP CC1(C)CC(NC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC(C)(C)[NH2+]1 ZINC000595282709 483726903 /nfs/dbraw/zinc/72/69/03/483726903.db2.gz YPJSVKNZVYRVNA-QWHCGFSZSA-N 2 0 365.478 -0.818 20 0 FBADRP CC1(C)CC(NC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC(C)(C)[NH2+]1 ZINC000595282710 483727095 /nfs/dbraw/zinc/72/70/95/483727095.db2.gz YPJSVKNZVYRVNA-STQMWFEESA-N 2 0 365.478 -0.818 20 0 FBADRP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@H]3CCN(CCC(=O)OC)C3=O)C2)CC1 ZINC000595310786 483728657 /nfs/dbraw/zinc/72/86/57/483728657.db2.gz FMZRVJMVTHAWHH-CVEARBPZSA-N 2 0 352.479 -0.138 20 0 FBADRP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@H]3CCN(CCC(=O)OC)C3=O)C2)CC1 ZINC000595310788 483728561 /nfs/dbraw/zinc/72/85/61/483728561.db2.gz FMZRVJMVTHAWHH-HOTGVXAUSA-N 2 0 352.479 -0.138 20 0 FBADRP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H]3CCN(CCC(=O)OC)C3=O)C2)CC1 ZINC000595310790 483728458 /nfs/dbraw/zinc/72/84/58/483728458.db2.gz FMZRVJMVTHAWHH-HZPDHXFCSA-N 2 0 352.479 -0.138 20 0 FBADRP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@@H]3CCN(CCC(=O)OC)C3=O)C2)CC1 ZINC000595310792 483728993 /nfs/dbraw/zinc/72/89/93/483728993.db2.gz FMZRVJMVTHAWHH-JKSUJKDBSA-N 2 0 352.479 -0.138 20 0 FBADRP COC(=O)CCN1CC[C@H]([NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)C1=O ZINC000595364973 483730049 /nfs/dbraw/zinc/73/00/49/483730049.db2.gz LFLFQPXREBOGMR-HNNXBMFYSA-N 2 0 368.478 -0.460 20 0 FBADRP COC(=O)CCN1CC[C@@H]([NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)C1=O ZINC000595364974 483729984 /nfs/dbraw/zinc/72/99/84/483729984.db2.gz LFLFQPXREBOGMR-OAHLLOKOSA-N 2 0 368.478 -0.460 20 0 FBADRP COC(=O)[C@@H]1OCC[C@@H]1[NH2+]CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000595668214 483736979 /nfs/dbraw/zinc/73/69/79/483736979.db2.gz RTJBMZHLURHPFN-IJEWVQPXSA-N 2 0 357.451 -0.621 20 0 FBADRP COC(=O)[C@@H]1OCC[C@@H]1[NH2+]CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000595668215 483737038 /nfs/dbraw/zinc/73/70/38/483737038.db2.gz RTJBMZHLURHPFN-OFQRWUPVSA-N 2 0 357.451 -0.621 20 0 FBADRP COC(=O)CCN1CCC[C@H]([N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)C1=O ZINC000595886926 483739552 /nfs/dbraw/zinc/73/95/52/483739552.db2.gz AUMRVZWKOYNOGO-KBPBESRZSA-N 2 0 354.451 -0.673 20 0 FBADRP COC(=O)CCN1CCC[C@H]([N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)C1=O ZINC000595886927 483739731 /nfs/dbraw/zinc/73/97/31/483739731.db2.gz AUMRVZWKOYNOGO-KGLIPLIRSA-N 2 0 354.451 -0.673 20 0 FBADRP COC(=O)CCN1CCC[C@@H]([N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)C1=O ZINC000595886931 483739671 /nfs/dbraw/zinc/73/96/71/483739671.db2.gz AUMRVZWKOYNOGO-UONOGXRCSA-N 2 0 354.451 -0.673 20 0 FBADRP COC(=O)CCN1CCC[C@@H]([N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)C1=O ZINC000595886933 483739293 /nfs/dbraw/zinc/73/92/93/483739293.db2.gz AUMRVZWKOYNOGO-ZIAGYGMSSA-N 2 0 354.451 -0.673 20 0 FBADRP COC(=O)CCN1CCC[C@H]([N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)C1=O ZINC000595893600 483740066 /nfs/dbraw/zinc/74/00/66/483740066.db2.gz SVRZLPMFYMYKEN-CABCVRRESA-N 2 0 364.450 -0.072 20 0 FBADRP COC(=O)CCN1CCC[C@H]([N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)C1=O ZINC000595893602 483739984 /nfs/dbraw/zinc/73/99/84/483739984.db2.gz SVRZLPMFYMYKEN-GJZGRUSLSA-N 2 0 364.450 -0.072 20 0 FBADRP COC(=O)CCN1CCC[C@@H]([N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)C1=O ZINC000595893603 483740223 /nfs/dbraw/zinc/74/02/23/483740223.db2.gz SVRZLPMFYMYKEN-HUUCEWRRSA-N 2 0 364.450 -0.072 20 0 FBADRP COC(=O)CCN1CCC[C@@H]([N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)C1=O ZINC000595893604 483739941 /nfs/dbraw/zinc/73/99/41/483739941.db2.gz SVRZLPMFYMYKEN-LSDHHAIUSA-N 2 0 364.450 -0.072 20 0 FBADRP COC(=O)CCN1CC[C@H]([N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1=O ZINC000595894774 483740111 /nfs/dbraw/zinc/74/01/11/483740111.db2.gz XCTOOEZTIWGRGV-CABCVRRESA-N 2 0 366.462 -0.706 20 0 FBADRP COC(=O)CCN1CC[C@H]([N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1=O ZINC000595894776 483739914 /nfs/dbraw/zinc/73/99/14/483739914.db2.gz XCTOOEZTIWGRGV-GJZGRUSLSA-N 2 0 366.462 -0.706 20 0 FBADRP COC(=O)CCN1CC[C@@H]([N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1=O ZINC000595894777 483740233 /nfs/dbraw/zinc/74/02/33/483740233.db2.gz XCTOOEZTIWGRGV-HUUCEWRRSA-N 2 0 366.462 -0.706 20 0 FBADRP COC(=O)CCN1CC[C@@H]([N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1=O ZINC000595894779 483740319 /nfs/dbraw/zinc/74/03/19/483740319.db2.gz XCTOOEZTIWGRGV-LSDHHAIUSA-N 2 0 366.462 -0.706 20 0 FBADRP CNC(=O)NC(=O)CC[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000595910151 483740872 /nfs/dbraw/zinc/74/08/72/483740872.db2.gz HHKICVAHLGLJLT-CYBMUJFWSA-N 2 0 363.466 -0.156 20 0 FBADRP CNC(=O)NC(=O)CC[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000595910158 483740805 /nfs/dbraw/zinc/74/08/05/483740805.db2.gz HHKICVAHLGLJLT-ZDUSSCGKSA-N 2 0 363.466 -0.156 20 0 FBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000595972453 483742641 /nfs/dbraw/zinc/74/26/41/483742641.db2.gz WAVGGAOCSNRGOY-CYBMUJFWSA-N 2 0 350.467 -0.189 20 0 FBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000595972458 483742551 /nfs/dbraw/zinc/74/25/51/483742551.db2.gz WAVGGAOCSNRGOY-ZDUSSCGKSA-N 2 0 350.467 -0.189 20 0 FBADRP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000595978972 483743753 /nfs/dbraw/zinc/74/37/53/483743753.db2.gz ATXKEIDNCYKMNN-CABCVRRESA-N 2 0 367.494 -0.663 20 0 FBADRP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000595978974 483743553 /nfs/dbraw/zinc/74/35/53/483743553.db2.gz ATXKEIDNCYKMNN-GJZGRUSLSA-N 2 0 367.494 -0.663 20 0 FBADRP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000595978975 483743501 /nfs/dbraw/zinc/74/35/01/483743501.db2.gz ATXKEIDNCYKMNN-HUUCEWRRSA-N 2 0 367.494 -0.663 20 0 FBADRP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000595978977 483743923 /nfs/dbraw/zinc/74/39/23/483743923.db2.gz ATXKEIDNCYKMNN-LSDHHAIUSA-N 2 0 367.494 -0.663 20 0 FBADRP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000595979455 483743690 /nfs/dbraw/zinc/74/36/90/483743690.db2.gz FGBZHKMJJRQSBX-CABCVRRESA-N 2 0 367.494 -0.663 20 0 FBADRP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000595979456 483743904 /nfs/dbraw/zinc/74/39/04/483743904.db2.gz FGBZHKMJJRQSBX-GJZGRUSLSA-N 2 0 367.494 -0.663 20 0 FBADRP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000595979457 483743946 /nfs/dbraw/zinc/74/39/46/483743946.db2.gz FGBZHKMJJRQSBX-HUUCEWRRSA-N 2 0 367.494 -0.663 20 0 FBADRP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000595979458 483743642 /nfs/dbraw/zinc/74/36/42/483743642.db2.gz FGBZHKMJJRQSBX-LSDHHAIUSA-N 2 0 367.494 -0.663 20 0 FBADRP CCC[NH+]1CCC(N(C)C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC1 ZINC000595979473 483743778 /nfs/dbraw/zinc/74/37/78/483743778.db2.gz AIPOPYYAHMLEAV-CABCVRRESA-N 2 0 365.478 -0.910 20 0 FBADRP CCC[NH+]1CCC(N(C)C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC1 ZINC000595979477 483743523 /nfs/dbraw/zinc/74/35/23/483743523.db2.gz AIPOPYYAHMLEAV-GJZGRUSLSA-N 2 0 365.478 -0.910 20 0 FBADRP CCC[NH+]1CCC(N(C)C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC1 ZINC000595979479 483743878 /nfs/dbraw/zinc/74/38/78/483743878.db2.gz AIPOPYYAHMLEAV-HUUCEWRRSA-N 2 0 365.478 -0.910 20 0 FBADRP CCC[NH+]1CCC(N(C)C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC1 ZINC000595979481 483743715 /nfs/dbraw/zinc/74/37/15/483743715.db2.gz AIPOPYYAHMLEAV-LSDHHAIUSA-N 2 0 365.478 -0.910 20 0 FBADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000595980774 483744471 /nfs/dbraw/zinc/74/44/71/483744471.db2.gz KEXGXHKLSSCRHN-KKUMJFAQSA-N 2 0 365.478 -0.910 20 0 FBADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000595980775 483744493 /nfs/dbraw/zinc/74/44/93/483744493.db2.gz KEXGXHKLSSCRHN-RRFJBIMHSA-N 2 0 365.478 -0.910 20 0 FBADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000595980776 483744433 /nfs/dbraw/zinc/74/44/33/483744433.db2.gz KEXGXHKLSSCRHN-SOUVJXGZSA-N 2 0 365.478 -0.910 20 0 FBADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000595980777 483744523 /nfs/dbraw/zinc/74/45/23/483744523.db2.gz KEXGXHKLSSCRHN-ZNMIVQPWSA-N 2 0 365.478 -0.910 20 0 FBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C[C@@H]1C ZINC000595982010 483745058 /nfs/dbraw/zinc/74/50/58/483745058.db2.gz QPNLCVTURCFIEZ-BYNSBNAKSA-N 2 0 365.478 -0.912 20 0 FBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C[C@H]1C ZINC000595982011 483745155 /nfs/dbraw/zinc/74/51/55/483745155.db2.gz QPNLCVTURCFIEZ-CBBWQLFWSA-N 2 0 365.478 -0.912 20 0 FBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C[C@H]1C ZINC000595982012 483744912 /nfs/dbraw/zinc/74/49/12/483744912.db2.gz QPNLCVTURCFIEZ-LXTVHRRPSA-N 2 0 365.478 -0.912 20 0 FBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C[C@@H]1C ZINC000595982013 483745132 /nfs/dbraw/zinc/74/51/32/483745132.db2.gz QPNLCVTURCFIEZ-ZQDZILKHSA-N 2 0 365.478 -0.912 20 0 FBADRP CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC1 ZINC000595982052 483744782 /nfs/dbraw/zinc/74/47/82/483744782.db2.gz RSBLRIXJKQHZRZ-KBPBESRZSA-N 2 0 365.478 -0.910 20 0 FBADRP CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC1 ZINC000595982053 483744970 /nfs/dbraw/zinc/74/49/70/483744970.db2.gz RSBLRIXJKQHZRZ-KGLIPLIRSA-N 2 0 365.478 -0.910 20 0 FBADRP CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC1 ZINC000595982055 483744992 /nfs/dbraw/zinc/74/49/92/483744992.db2.gz RSBLRIXJKQHZRZ-UONOGXRCSA-N 2 0 365.478 -0.910 20 0 FBADRP CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC1 ZINC000595982057 483745086 /nfs/dbraw/zinc/74/50/86/483745086.db2.gz RSBLRIXJKQHZRZ-ZIAGYGMSSA-N 2 0 365.478 -0.910 20 0 FBADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000595983384 483745036 /nfs/dbraw/zinc/74/50/36/483745036.db2.gz XVEKSBYWOSETDV-CABCVRRESA-N 2 0 365.478 -0.909 20 0 FBADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000595983385 483744891 /nfs/dbraw/zinc/74/48/91/483744891.db2.gz XVEKSBYWOSETDV-GJZGRUSLSA-N 2 0 365.478 -0.909 20 0 FBADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000595983386 483744726 /nfs/dbraw/zinc/74/47/26/483744726.db2.gz XVEKSBYWOSETDV-HUUCEWRRSA-N 2 0 365.478 -0.909 20 0 FBADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000595983387 483744898 /nfs/dbraw/zinc/74/48/98/483744898.db2.gz XVEKSBYWOSETDV-LSDHHAIUSA-N 2 0 365.478 -0.909 20 0 FBADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC1 ZINC000595983582 483745195 /nfs/dbraw/zinc/74/51/95/483745195.db2.gz PPPUIOJASROXQQ-KBPBESRZSA-N 2 0 365.478 -0.910 20 0 FBADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC1 ZINC000595983583 483744753 /nfs/dbraw/zinc/74/47/53/483744753.db2.gz PPPUIOJASROXQQ-KGLIPLIRSA-N 2 0 365.478 -0.910 20 0 FBADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC1 ZINC000595983584 483745127 /nfs/dbraw/zinc/74/51/27/483745127.db2.gz PPPUIOJASROXQQ-UONOGXRCSA-N 2 0 365.478 -0.910 20 0 FBADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC1 ZINC000595983585 483745077 /nfs/dbraw/zinc/74/50/77/483745077.db2.gz PPPUIOJASROXQQ-ZIAGYGMSSA-N 2 0 365.478 -0.910 20 0 FBADRP COC(=O)C[C@H]([NH3+])C(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000595986098 483745851 /nfs/dbraw/zinc/74/58/51/483745851.db2.gz ODXBNXMRDITCTB-OLZOCXBDSA-N 2 0 364.450 -0.584 20 0 FBADRP COC(=O)C[C@H]([NH3+])C(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000595986099 483745758 /nfs/dbraw/zinc/74/57/58/483745758.db2.gz ODXBNXMRDITCTB-STQMWFEESA-N 2 0 364.450 -0.584 20 0 FBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N3CC[C@@H](F)[C@H]([NH3+])C3)C2)CC1 ZINC000595996823 483747626 /nfs/dbraw/zinc/74/76/26/483747626.db2.gz XXGUIUGNWLAQHR-RBSFLKMASA-N 2 0 355.458 -0.878 20 0 FBADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N3CC[C@@H](F)[C@H]([NH3+])C3)C2)CC1 ZINC000595996825 483747847 /nfs/dbraw/zinc/74/78/47/483747847.db2.gz XXGUIUGNWLAQHR-RRFJBIMHSA-N 2 0 355.458 -0.878 20 0 FBADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N3CC[C@@H](C)C[C@H]3C[NH3+])C2)CC1 ZINC000596003875 483743057 /nfs/dbraw/zinc/74/30/57/483743057.db2.gz UIXNKPPUQNQCAD-IKGGRYGDSA-N 2 0 365.522 -0.189 20 0 FBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N3CC[C@@H](C)C[C@H]3C[NH3+])C2)CC1 ZINC000596003876 483743118 /nfs/dbraw/zinc/74/31/18/483743118.db2.gz UIXNKPPUQNQCAD-ZACQAIPSSA-N 2 0 365.522 -0.189 20 0 FBADRP COC(=O)[C@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC[N@H+](C)C1 ZINC000596887257 483755768 /nfs/dbraw/zinc/75/57/68/483755768.db2.gz GELROWRWFPERLR-GDBMZVCRSA-N 2 0 368.478 -0.014 20 0 FBADRP COC(=O)[C@@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC[N@H+](C)C1 ZINC000596887258 483755906 /nfs/dbraw/zinc/75/59/06/483755906.db2.gz GELROWRWFPERLR-GOEBONIOSA-N 2 0 368.478 -0.014 20 0 FBADRP COC(=O)[C@@H]1CN(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC[N@H+](C)C1 ZINC000596887259 483756076 /nfs/dbraw/zinc/75/60/76/483756076.db2.gz GELROWRWFPERLR-HOCLYGCPSA-N 2 0 368.478 -0.014 20 0 FBADRP COC(=O)[C@H]1CN(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC[N@H+](C)C1 ZINC000596887260 483755939 /nfs/dbraw/zinc/75/59/39/483755939.db2.gz GELROWRWFPERLR-ZBFHGGJFSA-N 2 0 368.478 -0.014 20 0 FBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H](N3CC[NH+](CC)CC3)C2)C1 ZINC000597402411 483764531 /nfs/dbraw/zinc/76/45/31/483764531.db2.gz SWYMBROVRBYYLZ-DLBZAZTESA-N 2 0 365.522 -0.175 20 0 FBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H](N3CC[NH+](CC)CC3)C2)C1 ZINC000597402412 483764316 /nfs/dbraw/zinc/76/43/16/483764316.db2.gz SWYMBROVRBYYLZ-IAGOWNOFSA-N 2 0 365.522 -0.175 20 0 FBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H](N3CC[NH+](CC)CC3)C2)C1 ZINC000597402413 483764613 /nfs/dbraw/zinc/76/46/13/483764613.db2.gz SWYMBROVRBYYLZ-IRXDYDNUSA-N 2 0 365.522 -0.175 20 0 FBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@H](N3CC[NH+](CC)CC3)C2)C1 ZINC000597402414 483764443 /nfs/dbraw/zinc/76/44/43/483764443.db2.gz SWYMBROVRBYYLZ-SJORKVTESA-N 2 0 365.522 -0.175 20 0 FBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N3C[C@@H]4CCC[C@]4([NH3+])C3)C2)CC1 ZINC000598730988 483786654 /nfs/dbraw/zinc/78/66/54/483786654.db2.gz FQHGLGGBCZNEMO-FCEWJHQRSA-N 2 0 363.506 -0.435 20 0 FBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N3C[C@@H]4CCC[C@@]4([NH3+])C3)C2)CC1 ZINC000598730989 483786881 /nfs/dbraw/zinc/78/68/81/483786881.db2.gz FQHGLGGBCZNEMO-FRQCXROJSA-N 2 0 363.506 -0.435 20 0 FBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N3C[C@H]4CCC[C@@]4([NH3+])C3)C2)CC1 ZINC000598730990 483787094 /nfs/dbraw/zinc/78/70/94/483787094.db2.gz FQHGLGGBCZNEMO-GPMSIDNRSA-N 2 0 363.506 -0.435 20 0 FBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N3C[C@H]4CCC[C@]4([NH3+])C3)C2)CC1 ZINC000598730991 483786726 /nfs/dbraw/zinc/78/67/26/483786726.db2.gz FQHGLGGBCZNEMO-MDZRGWNJSA-N 2 0 363.506 -0.435 20 0 FBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@H]3CC[NH2+]C34CCC4)C2)CC1 ZINC000599958225 483821474 /nfs/dbraw/zinc/82/14/74/483821474.db2.gz HMKBXGMQOHSMQR-CVEARBPZSA-N 2 0 363.506 -0.374 20 0 FBADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N[C@H]3CC[NH2+]C34CCC4)C2)CC1 ZINC000599958228 483821433 /nfs/dbraw/zinc/82/14/33/483821433.db2.gz HMKBXGMQOHSMQR-HOTGVXAUSA-N 2 0 363.506 -0.374 20 0 FBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+]C34CCC4)C2)CC1 ZINC000599958230 483821552 /nfs/dbraw/zinc/82/15/52/483821552.db2.gz HMKBXGMQOHSMQR-HZPDHXFCSA-N 2 0 363.506 -0.374 20 0 FBADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+]C34CCC4)C2)CC1 ZINC000599958233 483821701 /nfs/dbraw/zinc/82/17/01/483821701.db2.gz HMKBXGMQOHSMQR-JKSUJKDBSA-N 2 0 363.506 -0.374 20 0 FBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@@H]3CC[C@H](C)[NH2+]C3)C2)CC1 ZINC000599962075 483821409 /nfs/dbraw/zinc/82/14/09/483821409.db2.gz JALQAEOIUWSQBN-ARFHVFGLSA-N 2 0 351.495 -0.519 20 0 FBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@@H]3CC[C@@H](C)[NH2+]C3)C2)CC1 ZINC000599962077 483821600 /nfs/dbraw/zinc/82/16/00/483821600.db2.gz JALQAEOIUWSQBN-BZUAXINKSA-N 2 0 351.495 -0.519 20 0 FBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@H]3CC[C@H](C)[NH2+]C3)C2)CC1 ZINC000599962078 483821482 /nfs/dbraw/zinc/82/14/82/483821482.db2.gz JALQAEOIUWSQBN-HRCADAONSA-N 2 0 351.495 -0.519 20 0 FBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@H]3CC[C@@H](C)[NH2+]C3)C2)CC1 ZINC000599962079 483821425 /nfs/dbraw/zinc/82/14/25/483821425.db2.gz JALQAEOIUWSQBN-OWCLPIDISA-N 2 0 351.495 -0.519 20 0 FBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000599964483 483821557 /nfs/dbraw/zinc/82/15/57/483821557.db2.gz KSKHVUIYTPXVJV-HRCADAONSA-N 2 0 351.495 -0.519 20 0 FBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000599964484 483821393 /nfs/dbraw/zinc/82/13/93/483821393.db2.gz KSKHVUIYTPXVJV-OWCLPIDISA-N 2 0 351.495 -0.519 20 0 FBADRP COC(=O)CCC[NH+]1CCC(NC2CN(S(=O)(=O)N(C)C)C2)CC1 ZINC000600213596 483396040 /nfs/dbraw/zinc/39/60/40/483396040.db2.gz BFEXGPJLRSHXAU-UHFFFAOYSA-N 2 0 362.496 -0.516 20 0 FBADRP COC[C@H](C)NC(=O)NC(=O)C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000600753097 483825622 /nfs/dbraw/zinc/82/56/22/483825622.db2.gz ARZJQHSOXPJJDL-DZGCQCFKSA-N 2 0 356.467 -0.062 20 0 FBADRP COC[C@@H](C)NC(=O)NC(=O)C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000600753099 483825583 /nfs/dbraw/zinc/82/55/83/483825583.db2.gz ARZJQHSOXPJJDL-HIFRSBDPSA-N 2 0 356.467 -0.062 20 0 FBADRP COC[C@@H](C)NC(=O)NC(=O)C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000600753102 483825722 /nfs/dbraw/zinc/82/57/22/483825722.db2.gz ARZJQHSOXPJJDL-UKRRQHHQSA-N 2 0 356.467 -0.062 20 0 FBADRP COC[C@H](C)NC(=O)NC(=O)C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000600753103 483825636 /nfs/dbraw/zinc/82/56/36/483825636.db2.gz ARZJQHSOXPJJDL-ZFWWWQNUSA-N 2 0 356.467 -0.062 20 0 FBADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N3CC[NH2+]C[C@@H]3C(C)C)C2)CC1 ZINC000600796848 483826242 /nfs/dbraw/zinc/82/62/42/483826242.db2.gz JBAPNLIWRAQDHI-DLBZAZTESA-N 2 0 365.522 -0.319 20 0 FBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N3CC[NH2+]C[C@@H]3C(C)C)C2)CC1 ZINC000600796870 483826431 /nfs/dbraw/zinc/82/64/31/483826431.db2.gz JBAPNLIWRAQDHI-IAGOWNOFSA-N 2 0 365.522 -0.319 20 0 FBADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N3CC[NH2+]C[C@H]3C(C)C)C2)CC1 ZINC000600796873 483826313 /nfs/dbraw/zinc/82/63/13/483826313.db2.gz JBAPNLIWRAQDHI-IRXDYDNUSA-N 2 0 365.522 -0.319 20 0 FBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N3CC[NH2+]C[C@H]3C(C)C)C2)CC1 ZINC000600796875 483826460 /nfs/dbraw/zinc/82/64/60/483826460.db2.gz JBAPNLIWRAQDHI-SJORKVTESA-N 2 0 365.522 -0.319 20 0 FBADRP CN1CCN(CC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000600979504 484040991 /nfs/dbraw/zinc/04/09/91/484040991.db2.gz VFRRSYIPKZERKG-UHFFFAOYSA-N 2 0 360.506 -0.043 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H]2C[NH+](C)CCN2C)CC1=O ZINC000601048092 484104159 /nfs/dbraw/zinc/10/41/59/484104159.db2.gz FWMPXQQJIXLGNR-BBWFWOEESA-N 2 0 365.522 -0.319 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H]2C[NH+](C)CCN2C)CC1=O ZINC000601048093 484103673 /nfs/dbraw/zinc/10/36/73/484103673.db2.gz FWMPXQQJIXLGNR-BRWVUGGUSA-N 2 0 365.522 -0.319 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@H]2C[NH+](C)CCN2C)CC1=O ZINC000601048094 484104530 /nfs/dbraw/zinc/10/45/30/484104530.db2.gz FWMPXQQJIXLGNR-GVDBMIGSSA-N 2 0 365.522 -0.319 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H]2C[NH+](C)CCN2C)CC1=O ZINC000601048095 484104770 /nfs/dbraw/zinc/10/47/70/484104770.db2.gz FWMPXQQJIXLGNR-ZACQAIPSSA-N 2 0 365.522 -0.319 20 0 FBADRP COC(=O)C[C@@H](C)N1CCN(S(=O)(=O)N(C)C2CC[NH2+]CC2)CC1 ZINC000601340830 483499117 /nfs/dbraw/zinc/49/91/17/483499117.db2.gz XGGHTNYPUQDEQB-CYBMUJFWSA-N 2 0 362.496 -0.516 20 0 FBADRP COC(=O)C[C@H](C)N1CCN(S(=O)(=O)N(C)C2CC[NH2+]CC2)CC1 ZINC000601340844 483499395 /nfs/dbraw/zinc/49/93/95/483499395.db2.gz XGGHTNYPUQDEQB-ZDUSSCGKSA-N 2 0 362.496 -0.516 20 0 FBADRP CS[C@H]1CN(S(=O)(=O)CCCN2CC[NH+](C)CC2)C[C@H]1[NH+](C)C ZINC000601380989 483512421 /nfs/dbraw/zinc/51/24/21/483512421.db2.gz UTZGWPJKFXNJSI-CABCVRRESA-N 2 0 364.581 -0.069 20 0 FBADRP CS[C@H]1CN(S(=O)(=O)CCCN2CC[NH+](C)CC2)C[C@@H]1[NH+](C)C ZINC000601380990 483511982 /nfs/dbraw/zinc/51/19/82/483511982.db2.gz UTZGWPJKFXNJSI-GJZGRUSLSA-N 2 0 364.581 -0.069 20 0 FBADRP CS[C@@H]1CN(S(=O)(=O)CCCN2CC[NH+](C)CC2)C[C@H]1[NH+](C)C ZINC000601380991 483512480 /nfs/dbraw/zinc/51/24/80/483512480.db2.gz UTZGWPJKFXNJSI-HUUCEWRRSA-N 2 0 364.581 -0.069 20 0 FBADRP CS[C@@H]1CN(S(=O)(=O)CCCN2CC[NH+](C)CC2)C[C@@H]1[NH+](C)C ZINC000601380992 483512526 /nfs/dbraw/zinc/51/25/26/483512526.db2.gz UTZGWPJKFXNJSI-LSDHHAIUSA-N 2 0 364.581 -0.069 20 0 FBADRP COC(=O)[C@@]1(C)CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[C@@H]1C ZINC000601448646 483535670 /nfs/dbraw/zinc/53/56/70/483535670.db2.gz LQPYDHPCUYDSAS-KSSFIOAISA-N 2 0 370.494 -0.404 20 0 FBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N3CCCCC[C@H]([NH3+])C3)C2)CC1 ZINC000601581287 483830231 /nfs/dbraw/zinc/83/02/31/483830231.db2.gz KWOUKYFDIMOPHF-DLBZAZTESA-N 2 0 365.522 -0.045 20 0 FBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N3CCCCC[C@@H]([NH3+])C3)C2)CC1 ZINC000601581288 483829857 /nfs/dbraw/zinc/82/98/57/483829857.db2.gz KWOUKYFDIMOPHF-IAGOWNOFSA-N 2 0 365.522 -0.045 20 0 FBADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N3CCCCC[C@H]([NH3+])C3)C2)CC1 ZINC000601581289 483830214 /nfs/dbraw/zinc/83/02/14/483830214.db2.gz KWOUKYFDIMOPHF-IRXDYDNUSA-N 2 0 365.522 -0.045 20 0 FBADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N3CCCCC[C@@H]([NH3+])C3)C2)CC1 ZINC000601581290 483830036 /nfs/dbraw/zinc/83/00/36/483830036.db2.gz KWOUKYFDIMOPHF-SJORKVTESA-N 2 0 365.522 -0.045 20 0 FBADRP CCC1([NH+](C)C)CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC1 ZINC000601586431 483830426 /nfs/dbraw/zinc/83/04/26/483830426.db2.gz YCEDIUOFMJWJIO-KBPBESRZSA-N 2 0 365.478 -0.910 20 0 FBADRP CCC1([NH+](C)C)CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC1 ZINC000601586434 483830498 /nfs/dbraw/zinc/83/04/98/483830498.db2.gz YCEDIUOFMJWJIO-KGLIPLIRSA-N 2 0 365.478 -0.910 20 0 FBADRP CCC1([NH+](C)C)CCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC1 ZINC000601586436 483830483 /nfs/dbraw/zinc/83/04/83/483830483.db2.gz YCEDIUOFMJWJIO-UONOGXRCSA-N 2 0 365.478 -0.910 20 0 FBADRP CCC1([NH+](C)C)CCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC1 ZINC000601586439 483830578 /nfs/dbraw/zinc/83/05/78/483830578.db2.gz YCEDIUOFMJWJIO-ZIAGYGMSSA-N 2 0 365.478 -0.910 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Cn2cc(CSCC[NH3+])nn2)C1 ZINC000603186204 483847580 /nfs/dbraw/zinc/84/75/80/483847580.db2.gz PPUMFEBQHRIIPL-HNNXBMFYSA-N 2 0 370.523 -0.057 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Cn2cc(CSCC[NH3+])nn2)C1 ZINC000603186212 483847427 /nfs/dbraw/zinc/84/74/27/483847427.db2.gz PPUMFEBQHRIIPL-OAHLLOKOSA-N 2 0 370.523 -0.057 20 0 FBADRP COC(=O)c1c[nH]nc1S(=O)(=O)N(CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000603309074 483848500 /nfs/dbraw/zinc/84/85/00/483848500.db2.gz KVPFVSPIXQPNCG-UHFFFAOYSA-N 2 0 373.479 -0.157 20 0 FBADRP CC[NH+]1CCN(CCC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000604606435 483870294 /nfs/dbraw/zinc/87/02/94/483870294.db2.gz WPBVOTNPVGRMHZ-GOSISDBHSA-N 2 0 367.538 -0.463 20 0 FBADRP CC[NH+]1CCN(CCC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000604606436 483870341 /nfs/dbraw/zinc/87/03/41/483870341.db2.gz WPBVOTNPVGRMHZ-SFHVURJKSA-N 2 0 367.538 -0.463 20 0 FBADRP C[C@H]1COCCN1CCNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604651833 483871359 /nfs/dbraw/zinc/87/13/59/483871359.db2.gz RTDNSIZLRMVARU-DLBZAZTESA-N 2 0 369.510 -0.587 20 0 FBADRP C[C@@H]1COCCN1CCNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604651834 483871285 /nfs/dbraw/zinc/87/12/85/483871285.db2.gz RTDNSIZLRMVARU-IAGOWNOFSA-N 2 0 369.510 -0.587 20 0 FBADRP C[C@H]1COCCN1CCNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604651835 483871484 /nfs/dbraw/zinc/87/14/84/483871484.db2.gz RTDNSIZLRMVARU-IRXDYDNUSA-N 2 0 369.510 -0.587 20 0 FBADRP C[C@@H]1COCCN1CCNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604651836 483871250 /nfs/dbraw/zinc/87/12/50/483871250.db2.gz RTDNSIZLRMVARU-SJORKVTESA-N 2 0 369.510 -0.587 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000604654361 483872301 /nfs/dbraw/zinc/87/23/01/483872301.db2.gz QDEQUETYEMREQO-DLBZAZTESA-N 2 0 352.527 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O=C(N[C@@H]1CC[NH+](C2CC2)C1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604656081 483872004 /nfs/dbraw/zinc/87/20/04/483872004.db2.gz AKNGDQXJVJXLMI-HZPDHXFCSA-N 2 0 351.495 -0.071 20 0 FBADRP O=C(N[C@@H]1CC[NH+](C2CC2)C1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604656082 483871863 /nfs/dbraw/zinc/87/18/63/483871863.db2.gz AKNGDQXJVJXLMI-JKSUJKDBSA-N 2 0 351.495 -0.071 20 0 FBADRP O=C(NCCNc1cc[nH+]cc1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604667754 483872432 /nfs/dbraw/zinc/87/24/32/483872432.db2.gz JGBYPIXJNUAKKG-KRWDZBQOSA-N 2 0 362.478 -0.379 20 0 FBADRP O=C(NCCNc1cc[nH+]cc1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604667755 483872149 /nfs/dbraw/zinc/87/21/49/483872149.db2.gz JGBYPIXJNUAKKG-QGZVFWFLSA-N 2 0 362.478 -0.379 20 0 FBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000605875286 483756590 /nfs/dbraw/zinc/75/65/90/483756590.db2.gz BBOIIKBYZXNJJX-CABCVRRESA-N 2 0 355.483 -0.264 20 0 FBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000605875321 483756673 /nfs/dbraw/zinc/75/66/73/483756673.db2.gz BBOIIKBYZXNJJX-GJZGRUSLSA-N 2 0 355.483 -0.264 20 0 FBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCCC[NH+]1CCC[C@@H]1C(N)=O ZINC000605875335 483756481 /nfs/dbraw/zinc/75/64/81/483756481.db2.gz BBOIIKBYZXNJJX-HUUCEWRRSA-N 2 0 355.483 -0.264 20 0 FBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)NCCC[NH+]1CCC[C@@H]1C(N)=O ZINC000605875353 483756327 /nfs/dbraw/zinc/75/63/27/483756327.db2.gz BBOIIKBYZXNJJX-LSDHHAIUSA-N 2 0 355.483 -0.264 20 0 FBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000605878325 483757521 /nfs/dbraw/zinc/75/75/21/483757521.db2.gz HBRJICKGUPLEMW-CVEARBPZSA-N 2 0 369.510 -0.016 20 0 FBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000605878331 483757792 /nfs/dbraw/zinc/75/77/92/483757792.db2.gz HBRJICKGUPLEMW-HOTGVXAUSA-N 2 0 369.510 -0.016 20 0 FBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000605878333 483757755 /nfs/dbraw/zinc/75/77/55/483757755.db2.gz HBRJICKGUPLEMW-HZPDHXFCSA-N 2 0 369.510 -0.016 20 0 FBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000605878334 483757473 /nfs/dbraw/zinc/75/74/73/483757473.db2.gz HBRJICKGUPLEMW-JKSUJKDBSA-N 2 0 369.510 -0.016 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000605881408 483758061 /nfs/dbraw/zinc/75/80/61/483758061.db2.gz LQOMXSLLYLNODL-INIZCTEOSA-N 2 0 369.510 -0.051 20 0 FBADRP COCC[N@@H+]1CC[C@@H](NC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000605881424 483758132 /nfs/dbraw/zinc/75/81/32/483758132.db2.gz LQOMXSLLYLNODL-MRXNPFEDSA-N 2 0 369.510 -0.051 20 0 FBADRP C[C@@H](CNC(=O)NCCC(=O)N1CCN(C)CC1)CN1CCOCC1 ZINC000606637767 483894681 /nfs/dbraw/zinc/89/46/81/483894681.db2.gz DAMAPFWYRFBOFD-HNNXBMFYSA-N 2 0 355.483 -0.582 20 0 FBADRP C[C@H](CNC(=O)NCCC(=O)N1CCN(C)CC1)CN1CCOCC1 ZINC000606637768 483894729 /nfs/dbraw/zinc/89/47/29/483894729.db2.gz DAMAPFWYRFBOFD-OAHLLOKOSA-N 2 0 355.483 -0.582 20 0 FBADRP CNC(=O)CN1CCC(NC(=O)NC[C@H](C)CN2CCOCC2)CC1 ZINC000606641188 483894694 /nfs/dbraw/zinc/89/46/94/483894694.db2.gz LSYVTQWKGLQHDN-AWEZNQCLSA-N 2 0 355.483 -0.536 20 0 FBADRP CNC(=O)CN1CCC(NC(=O)NC[C@@H](C)CN2CCOCC2)CC1 ZINC000606641189 483894600 /nfs/dbraw/zinc/89/46/00/483894600.db2.gz LSYVTQWKGLQHDN-CQSZACIVSA-N 2 0 355.483 -0.536 20 0 FBADRP COCC[NH+]1CCC(NC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000606658905 483895746 /nfs/dbraw/zinc/89/57/46/483895746.db2.gz CJGXMSVEMOGBJJ-HNNXBMFYSA-N 2 0 355.483 -0.264 20 0 FBADRP COCC[NH+]1CCC(NC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000606658906 483895806 /nfs/dbraw/zinc/89/58/06/483895806.db2.gz CJGXMSVEMOGBJJ-OAHLLOKOSA-N 2 0 355.483 -0.264 20 0 FBADRP COCC[N@@H+]1CC[C@@H](NC(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000606665886 483895982 /nfs/dbraw/zinc/89/59/82/483895982.db2.gz VJORRKICWRTVER-CVEARBPZSA-N 2 0 369.510 -0.051 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000606665887 483895835 /nfs/dbraw/zinc/89/58/35/483895835.db2.gz VJORRKICWRTVER-HOTGVXAUSA-N 2 0 369.510 -0.051 20 0 FBADRP COCC[N@@H+]1CC[C@@H](NC(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000606665888 483895851 /nfs/dbraw/zinc/89/58/51/483895851.db2.gz VJORRKICWRTVER-HZPDHXFCSA-N 2 0 369.510 -0.051 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000606665889 483895927 /nfs/dbraw/zinc/89/59/27/483895927.db2.gz VJORRKICWRTVER-JKSUJKDBSA-N 2 0 369.510 -0.051 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@H]2CC[N@H+](CCOC)C2)CC1 ZINC000606704931 483905692 /nfs/dbraw/zinc/90/56/92/483905692.db2.gz GXPZMPWMANRUFF-INIZCTEOSA-N 2 0 369.510 -0.097 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H]2CC[N@H+](CCOC)C2)CC1 ZINC000606704932 483906302 /nfs/dbraw/zinc/90/63/02/483906302.db2.gz GXPZMPWMANRUFF-MRXNPFEDSA-N 2 0 369.510 -0.097 20 0 FBADRP Cc1ccc(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)c(OCC[NH+](C)C)c1 ZINC000606722301 483906229 /nfs/dbraw/zinc/90/62/29/483906229.db2.gz ZPFNEGXJEVNFIB-AWEZNQCLSA-N 2 0 366.462 -0.087 20 0 FBADRP Cc1ccc(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)c(OCC[NH+](C)C)c1 ZINC000606722319 483906120 /nfs/dbraw/zinc/90/61/20/483906120.db2.gz ZPFNEGXJEVNFIB-CQSZACIVSA-N 2 0 366.462 -0.087 20 0 FBADRP CN1CC[NH+](CCCCNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000607045406 484038703 /nfs/dbraw/zinc/03/87/03/484038703.db2.gz QIVKROSGWPXBJW-INIZCTEOSA-N 2 0 353.511 -0.460 20 0 FBADRP CN1CC[NH+](CCCCNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000607045418 484038475 /nfs/dbraw/zinc/03/84/75/484038475.db2.gz QIVKROSGWPXBJW-MRXNPFEDSA-N 2 0 353.511 -0.460 20 0 FBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000607049941 484038935 /nfs/dbraw/zinc/03/89/35/484038935.db2.gz GJVWDUCGEIBGLK-DLBZAZTESA-N 2 0 367.538 -0.214 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000607049944 484039340 /nfs/dbraw/zinc/03/93/40/484039340.db2.gz GJVWDUCGEIBGLK-IAGOWNOFSA-N 2 0 367.538 -0.214 20 0 FBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000607049946 484039519 /nfs/dbraw/zinc/03/95/19/484039519.db2.gz GJVWDUCGEIBGLK-IRXDYDNUSA-N 2 0 367.538 -0.214 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000607049948 484039841 /nfs/dbraw/zinc/03/98/41/484039841.db2.gz GJVWDUCGEIBGLK-SJORKVTESA-N 2 0 367.538 -0.214 20 0 FBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000607050858 484039917 /nfs/dbraw/zinc/03/99/17/484039917.db2.gz NJGIGWWCUHDNFW-CVEARBPZSA-N 2 0 354.495 -0.034 20 0 FBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000607050862 484041509 /nfs/dbraw/zinc/04/15/09/484041509.db2.gz NJGIGWWCUHDNFW-HOTGVXAUSA-N 2 0 354.495 -0.034 20 0 FBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000607050863 484040682 /nfs/dbraw/zinc/04/06/82/484040682.db2.gz NJGIGWWCUHDNFW-HZPDHXFCSA-N 2 0 354.495 -0.034 20 0 FBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000607050865 484041459 /nfs/dbraw/zinc/04/14/59/484041459.db2.gz NJGIGWWCUHDNFW-JKSUJKDBSA-N 2 0 354.495 -0.034 20 0 FBADRP CN(CCCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)S(C)(=O)=O ZINC000607232139 484316464 /nfs/dbraw/zinc/31/64/64/484316464.db2.gz AHGSAWXLSXNAFE-UHFFFAOYSA-N 2 0 351.517 -0.597 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1cccc(S(N)(=O)=O)c1 ZINC000607233010 484314991 /nfs/dbraw/zinc/31/49/91/484314991.db2.gz YCEZHEZYDQETOP-UHFFFAOYSA-N 2 0 371.507 -0.031 20 0 FBADRP COCC(=O)N1CCC(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000607233829 484316931 /nfs/dbraw/zinc/31/69/31/484316931.db2.gz PDABSJZNYHPZOI-UHFFFAOYSA-N 2 0 357.499 -0.241 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000607236969 484317026 /nfs/dbraw/zinc/31/70/26/484317026.db2.gz OGXCSZIOCAIPKM-AWEZNQCLSA-N 2 0 363.528 -0.455 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000607236970 484317281 /nfs/dbraw/zinc/31/72/81/484317281.db2.gz OGXCSZIOCAIPKM-CQSZACIVSA-N 2 0 363.528 -0.455 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCNC(=O)c1cnccn1 ZINC000607239533 484321635 /nfs/dbraw/zinc/32/16/35/484321635.db2.gz AEXFABVDFKDWMC-UHFFFAOYSA-N 2 0 351.455 -0.659 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCCN1CCCS1(=O)=O ZINC000607240250 484324715 /nfs/dbraw/zinc/32/47/15/484324715.db2.gz XYKRUCFRIWOQLR-UHFFFAOYSA-N 2 0 363.528 -0.453 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCC(C)(C)NS(C)(=O)=O ZINC000607243423 484342049 /nfs/dbraw/zinc/34/20/49/484342049.db2.gz DFTALLICBFSRKX-UHFFFAOYSA-N 2 0 351.517 -0.551 20 0 FBADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)NCC3(O)CC[NH+](C)CC3)C2)CC1 ZINC000607245755 484348885 /nfs/dbraw/zinc/34/88/85/484348885.db2.gz PTIZJUAAYALKRH-HNNXBMFYSA-N 2 0 353.511 -0.089 20 0 FBADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)NCC3(O)CC[NH+](C)CC3)C2)CC1 ZINC000607245756 484349189 /nfs/dbraw/zinc/34/91/89/484349189.db2.gz PTIZJUAAYALKRH-OAHLLOKOSA-N 2 0 353.511 -0.089 20 0 FBADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC000607754057 483422020 /nfs/dbraw/zinc/42/20/20/483422020.db2.gz YTGRQHWVYZPVHS-UHFFFAOYSA-N 2 0 367.494 -0.046 20 0 FBADRP COCCNC(=O)C1CC[NH+]([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)CC1 ZINC000608016528 483873360 /nfs/dbraw/zinc/87/33/60/483873360.db2.gz NURZIBPNPOLTKT-HNNXBMFYSA-N 2 0 368.478 -0.460 20 0 FBADRP COCCNC(=O)C1CC[NH+]([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)CC1 ZINC000608016533 483873244 /nfs/dbraw/zinc/87/32/44/483873244.db2.gz NURZIBPNPOLTKT-OAHLLOKOSA-N 2 0 368.478 -0.460 20 0 FBADRP COC(=O)Cn1cc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)cn1 ZINC000610262661 484497460 /nfs/dbraw/zinc/49/74/60/484497460.db2.gz HBSGMSJOKGZHBB-UHFFFAOYSA-N 2 0 361.468 -0.830 20 0 FBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)C[N@@H+]1C1CC1 ZINC000611638045 484944361 /nfs/dbraw/zinc/94/43/61/484944361.db2.gz PDVAKWVFOZCDLE-CKEIUWERSA-N 2 0 364.490 -0.215 20 0 FBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)C[N@@H+]1C1CC1 ZINC000611638046 484944965 /nfs/dbraw/zinc/94/49/65/484944965.db2.gz PDVAKWVFOZCDLE-CPUCHLNUSA-N 2 0 364.490 -0.215 20 0 FBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)C[N@@H+]1C1CC1 ZINC000611638047 484944786 /nfs/dbraw/zinc/94/47/86/484944786.db2.gz PDVAKWVFOZCDLE-JKIFEVAISA-N 2 0 364.490 -0.215 20 0 FBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)C[N@@H+]1C1CC1 ZINC000611638048 484944892 /nfs/dbraw/zinc/94/48/92/484944892.db2.gz PDVAKWVFOZCDLE-KEYYUXOJSA-N 2 0 364.490 -0.215 20 0 FBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN([C@H]3CCOC3)CC2)C[N@@H+]1C1CC1 ZINC000611642817 484944995 /nfs/dbraw/zinc/94/49/95/484944995.db2.gz YXPTXQPHAGKDHI-FMKPAKJESA-N 2 0 350.463 -0.339 20 0 FBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN([C@@H]3CCOC3)CC2)C[N@@H+]1C1CC1 ZINC000611642818 484944393 /nfs/dbraw/zinc/94/43/93/484944393.db2.gz YXPTXQPHAGKDHI-IIAWOOMASA-N 2 0 350.463 -0.339 20 0 FBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN([C@@H]3CCOC3)CC2)C[N@@H+]1C1CC1 ZINC000611642819 484944447 /nfs/dbraw/zinc/94/44/47/484944447.db2.gz YXPTXQPHAGKDHI-IJEWVQPXSA-N 2 0 350.463 -0.339 20 0 FBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN([C@H]3CCOC3)CC2)C[N@@H+]1C1CC1 ZINC000611642820 484944549 /nfs/dbraw/zinc/94/45/49/484944549.db2.gz YXPTXQPHAGKDHI-YCPHGPKFSA-N 2 0 350.463 -0.339 20 0 FBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000611649368 484945812 /nfs/dbraw/zinc/94/58/12/484945812.db2.gz MLBHPRHVESSEQN-COXVUDFISA-N 2 0 364.490 -0.357 20 0 FBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000611649369 484945844 /nfs/dbraw/zinc/94/58/44/484945844.db2.gz MLBHPRHVESSEQN-KBRIMQKVSA-N 2 0 364.490 -0.357 20 0 FBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000611649371 484946504 /nfs/dbraw/zinc/94/65/04/484946504.db2.gz MLBHPRHVESSEQN-XOKHGSTOSA-N 2 0 364.490 -0.357 20 0 FBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000611649372 484946613 /nfs/dbraw/zinc/94/66/13/484946613.db2.gz MLBHPRHVESSEQN-XYPHTWIQSA-N 2 0 364.490 -0.357 20 0 FBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000611651829 484946026 /nfs/dbraw/zinc/94/60/26/484946026.db2.gz XEMSRNFPSPSBPR-COXVUDFISA-N 2 0 364.490 -0.045 20 0 FBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000611651835 484946778 /nfs/dbraw/zinc/94/67/78/484946778.db2.gz XEMSRNFPSPSBPR-KBRIMQKVSA-N 2 0 364.490 -0.045 20 0 FBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000611651837 484946181 /nfs/dbraw/zinc/94/61/81/484946181.db2.gz XEMSRNFPSPSBPR-XOKHGSTOSA-N 2 0 364.490 -0.045 20 0 FBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000611651840 484946083 /nfs/dbraw/zinc/94/60/83/484946083.db2.gz XEMSRNFPSPSBPR-XYPHTWIQSA-N 2 0 364.490 -0.045 20 0 FBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000611851036 484954694 /nfs/dbraw/zinc/95/46/94/484954694.db2.gz YVIQHYYJNJVMBP-GDBMZVCRSA-N 2 0 354.495 -0.110 20 0 FBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000611851037 484955316 /nfs/dbraw/zinc/95/53/16/484955316.db2.gz YVIQHYYJNJVMBP-ZBFHGGJFSA-N 2 0 354.495 -0.110 20 0 FBADRP C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)C1 ZINC000611955188 484972376 /nfs/dbraw/zinc/97/23/76/484972376.db2.gz HMWFRYTUTYABKK-DOTOQJQBSA-N 2 0 366.506 -0.108 20 0 FBADRP C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)C1 ZINC000611955190 484973163 /nfs/dbraw/zinc/97/31/63/484973163.db2.gz HMWFRYTUTYABKK-NVXWUHKLSA-N 2 0 366.506 -0.108 20 0 FBADRP C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)C1 ZINC000611955192 484972973 /nfs/dbraw/zinc/97/29/73/484972973.db2.gz HMWFRYTUTYABKK-RDJZCZTQSA-N 2 0 366.506 -0.108 20 0 FBADRP C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)C1 ZINC000611955194 484973315 /nfs/dbraw/zinc/97/33/15/484973315.db2.gz HMWFRYTUTYABKK-WBVHZDCISA-N 2 0 366.506 -0.108 20 0 FBADRP O=C(N[C@H]1CC[NH+](C2CCCCC2)C1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000612447664 485211348 /nfs/dbraw/zinc/21/13/48/485211348.db2.gz SBDZQIMBAVIPRU-BHYGNILZSA-N 2 0 364.490 -0.213 20 0 FBADRP O=C(N[C@@H]1CC[NH+](C2CCCCC2)C1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000612447666 485211615 /nfs/dbraw/zinc/21/16/15/485211615.db2.gz SBDZQIMBAVIPRU-HYVNUMGLSA-N 2 0 364.490 -0.213 20 0 FBADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000612480000 485214475 /nfs/dbraw/zinc/21/44/75/485214475.db2.gz FYMFCKFRALGSHZ-HRCADAONSA-N 2 0 352.479 -0.500 20 0 FBADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000612480002 485213977 /nfs/dbraw/zinc/21/39/77/485213977.db2.gz FYMFCKFRALGSHZ-OWCLPIDISA-N 2 0 352.479 -0.500 20 0 FBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000612542761 485221856 /nfs/dbraw/zinc/22/18/56/485221856.db2.gz LJMJMGGFFOFKJG-CVEARBPZSA-N 2 0 352.479 -0.044 20 0 FBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000612542762 485221773 /nfs/dbraw/zinc/22/17/73/485221773.db2.gz LJMJMGGFFOFKJG-HOTGVXAUSA-N 2 0 352.479 -0.044 20 0 FBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000612542763 485221326 /nfs/dbraw/zinc/22/13/26/485221326.db2.gz LJMJMGGFFOFKJG-HZPDHXFCSA-N 2 0 352.479 -0.044 20 0 FBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000612542764 485220336 /nfs/dbraw/zinc/22/03/36/485220336.db2.gz LJMJMGGFFOFKJG-JKSUJKDBSA-N 2 0 352.479 -0.044 20 0 FBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)C1 ZINC000612543681 485220365 /nfs/dbraw/zinc/22/03/65/485220365.db2.gz RSLXKVNMSWXZDJ-GDBMZVCRSA-N 2 0 352.479 -0.356 20 0 FBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)C1 ZINC000612543685 485220695 /nfs/dbraw/zinc/22/06/95/485220695.db2.gz RSLXKVNMSWXZDJ-GOEBONIOSA-N 2 0 352.479 -0.356 20 0 FBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)C1 ZINC000612543687 485221441 /nfs/dbraw/zinc/22/14/41/485221441.db2.gz RSLXKVNMSWXZDJ-HOCLYGCPSA-N 2 0 352.479 -0.356 20 0 FBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)C1 ZINC000612543689 485221811 /nfs/dbraw/zinc/22/18/11/485221811.db2.gz RSLXKVNMSWXZDJ-ZBFHGGJFSA-N 2 0 352.479 -0.356 20 0 FBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)CCCN2CC[NH+](C)CC2)C1 ZINC000612544797 485222461 /nfs/dbraw/zinc/22/24/61/485222461.db2.gz HAUJFYRDBCPQCU-INIZCTEOSA-N 2 0 353.511 -0.317 20 0 FBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)CCCN2CC[NH+](C)CC2)C1 ZINC000612544798 485223495 /nfs/dbraw/zinc/22/34/95/485223495.db2.gz HAUJFYRDBCPQCU-MRXNPFEDSA-N 2 0 353.511 -0.317 20 0 FBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC([NH+](C)CCCO)CC2)C1 ZINC000612547421 485223434 /nfs/dbraw/zinc/22/34/34/485223434.db2.gz CZEXGZDBXWIHSN-HNNXBMFYSA-N 2 0 354.495 -0.108 20 0 FBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC([NH+](C)CCCO)CC2)C1 ZINC000612547422 485223531 /nfs/dbraw/zinc/22/35/31/485223531.db2.gz CZEXGZDBXWIHSN-OAHLLOKOSA-N 2 0 354.495 -0.108 20 0 FBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCN([C@@H]3CCC[NH+](C)C3)CC2)C1 ZINC000612548155 485223020 /nfs/dbraw/zinc/22/30/20/485223020.db2.gz LEYGOEGCLNTBFI-DLBZAZTESA-N 2 0 365.522 -0.175 20 0 FBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCN([C@@H]3CCC[NH+](C)C3)CC2)C1 ZINC000612548156 485223292 /nfs/dbraw/zinc/22/32/92/485223292.db2.gz LEYGOEGCLNTBFI-IAGOWNOFSA-N 2 0 365.522 -0.175 20 0 FBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCN([C@H]3CCC[NH+](C)C3)CC2)C1 ZINC000612548157 485222351 /nfs/dbraw/zinc/22/23/51/485222351.db2.gz LEYGOEGCLNTBFI-IRXDYDNUSA-N 2 0 365.522 -0.175 20 0 FBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCN([C@H]3CCC[NH+](C)C3)CC2)C1 ZINC000612548158 485223280 /nfs/dbraw/zinc/22/32/80/485223280.db2.gz LEYGOEGCLNTBFI-SJORKVTESA-N 2 0 365.522 -0.175 20 0 FBADRP CCN(C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000612590871 485225963 /nfs/dbraw/zinc/22/59/63/485225963.db2.gz FZMWVLQONCYPNJ-CVEARBPZSA-N 2 0 352.479 -0.092 20 0 FBADRP CCN(C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)[C@H]1CC[N@H+](C)C1 ZINC000612590872 485226118 /nfs/dbraw/zinc/22/61/18/485226118.db2.gz FZMWVLQONCYPNJ-HOTGVXAUSA-N 2 0 352.479 -0.092 20 0 FBADRP CCN(C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000612590873 485225930 /nfs/dbraw/zinc/22/59/30/485225930.db2.gz FZMWVLQONCYPNJ-HZPDHXFCSA-N 2 0 352.479 -0.092 20 0 FBADRP CCN(C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)[C@H]1CC[N@H+](C)C1 ZINC000612590874 485225990 /nfs/dbraw/zinc/22/59/90/485225990.db2.gz FZMWVLQONCYPNJ-JKSUJKDBSA-N 2 0 352.479 -0.092 20 0 FBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612593903 485225662 /nfs/dbraw/zinc/22/56/62/485225662.db2.gz GTMISSUXNIRETL-INIZCTEOSA-N 2 0 352.479 -0.092 20 0 FBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612593904 485225848 /nfs/dbraw/zinc/22/58/48/485225848.db2.gz GTMISSUXNIRETL-MRXNPFEDSA-N 2 0 352.479 -0.092 20 0 FBADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612595063 485228102 /nfs/dbraw/zinc/22/81/02/485228102.db2.gz IWLORJSYNZZQKG-CVEARBPZSA-N 2 0 352.479 -0.092 20 0 FBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612595064 485228633 /nfs/dbraw/zinc/22/86/33/485228633.db2.gz IWLORJSYNZZQKG-HOTGVXAUSA-N 2 0 352.479 -0.092 20 0 FBADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612595065 485228933 /nfs/dbraw/zinc/22/89/33/485228933.db2.gz IWLORJSYNZZQKG-HZPDHXFCSA-N 2 0 352.479 -0.092 20 0 FBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612595066 485228517 /nfs/dbraw/zinc/22/85/17/485228517.db2.gz IWLORJSYNZZQKG-JKSUJKDBSA-N 2 0 352.479 -0.092 20 0 FBADRP CC[N@@H+]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000612596043 485226334 /nfs/dbraw/zinc/22/63/34/485226334.db2.gz NUHRANXNAOFGQK-INIZCTEOSA-N 2 0 352.479 -0.090 20 0 FBADRP CC[N@@H+]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000612596044 485226201 /nfs/dbraw/zinc/22/62/01/485226201.db2.gz NUHRANXNAOFGQK-MRXNPFEDSA-N 2 0 352.479 -0.090 20 0 FBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NC3CC[NH+]([C@@H]4CCOC4)CC3)[C@@H]2C1 ZINC000612597954 485226730 /nfs/dbraw/zinc/22/67/30/485226730.db2.gz PWXCLBNXLRGGBC-DJIMGWMZSA-N 2 0 364.490 -0.092 20 0 FBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NC3CC[NH+]([C@H]4CCOC4)CC3)[C@@H]2C1 ZINC000612597957 485227453 /nfs/dbraw/zinc/22/74/53/485227453.db2.gz PWXCLBNXLRGGBC-HYVNUMGLSA-N 2 0 364.490 -0.092 20 0 FBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NC3CC[NH+]([C@@H]4CCOC4)CC3)[C@H]2C1 ZINC000612597959 485226984 /nfs/dbraw/zinc/22/69/84/485226984.db2.gz PWXCLBNXLRGGBC-OIISXLGYSA-N 2 0 364.490 -0.092 20 0 FBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NC3CC[NH+]([C@H]4CCOC4)CC3)[C@H]2C1 ZINC000612597960 485227409 /nfs/dbraw/zinc/22/74/09/485227409.db2.gz PWXCLBNXLRGGBC-PVAVHDDUSA-N 2 0 364.490 -0.092 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612598810 485226720 /nfs/dbraw/zinc/22/67/20/485226720.db2.gz JGLOCLYIWRNRBD-CVEARBPZSA-N 2 0 352.479 -0.044 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612598811 485226927 /nfs/dbraw/zinc/22/69/27/485226927.db2.gz JGLOCLYIWRNRBD-HOTGVXAUSA-N 2 0 352.479 -0.044 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612598812 485226904 /nfs/dbraw/zinc/22/69/04/485226904.db2.gz JGLOCLYIWRNRBD-HZPDHXFCSA-N 2 0 352.479 -0.044 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612598813 485227498 /nfs/dbraw/zinc/22/74/98/485227498.db2.gz JGLOCLYIWRNRBD-JKSUJKDBSA-N 2 0 352.479 -0.044 20 0 FBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612598913 485227766 /nfs/dbraw/zinc/22/77/66/485227766.db2.gz LLYNNWUAPGGNTH-INIZCTEOSA-N 2 0 370.494 -0.608 20 0 FBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612598914 485227438 /nfs/dbraw/zinc/22/74/38/485227438.db2.gz LLYNNWUAPGGNTH-MRXNPFEDSA-N 2 0 370.494 -0.608 20 0 FBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612599503 485227216 /nfs/dbraw/zinc/22/72/16/485227216.db2.gz WYDDRUANTIQKIF-INIZCTEOSA-N 2 0 352.479 -0.090 20 0 FBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612599504 485227003 /nfs/dbraw/zinc/22/70/03/485227003.db2.gz WYDDRUANTIQKIF-MRXNPFEDSA-N 2 0 352.479 -0.090 20 0 FBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000612599507 485226823 /nfs/dbraw/zinc/22/68/23/485226823.db2.gz XCWRTPUHQOYENB-CVEARBPZSA-N 2 0 352.479 -0.092 20 0 FBADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000612599508 485227136 /nfs/dbraw/zinc/22/71/36/485227136.db2.gz XCWRTPUHQOYENB-HOTGVXAUSA-N 2 0 352.479 -0.092 20 0 FBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000612599509 485227520 /nfs/dbraw/zinc/22/75/20/485227520.db2.gz XCWRTPUHQOYENB-HZPDHXFCSA-N 2 0 352.479 -0.092 20 0 FBADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000612599510 485226779 /nfs/dbraw/zinc/22/67/79/485226779.db2.gz XCWRTPUHQOYENB-JKSUJKDBSA-N 2 0 352.479 -0.092 20 0 FBADRP O=C(NCC1CC[NH+](CC2CC2)CC1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000612772581 485241285 /nfs/dbraw/zinc/24/12/85/485241285.db2.gz FLZNNYOGAZDNQC-DLBZAZTESA-N 2 0 364.490 -0.498 20 0 FBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612925560 485252118 /nfs/dbraw/zinc/25/21/18/485252118.db2.gz PHRZJDYBHPQRDT-SZOQZIPDSA-N 2 0 359.478 -0.074 20 0 FBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612925561 485252299 /nfs/dbraw/zinc/25/22/99/485252299.db2.gz PHRZJDYBHPQRDT-WVZRYYJFSA-N 2 0 359.478 -0.074 20 0 FBADRP O=C(N[C@H]1CC12CC[NH2+]CC2)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000612972893 485253446 /nfs/dbraw/zinc/25/34/46/485253446.db2.gz WGSBDOUKWYLERN-CVEARBPZSA-N 2 0 351.495 -0.166 20 0 FBADRP O=C(N[C@H]1CC12CC[NH2+]CC2)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000612972900 485253815 /nfs/dbraw/zinc/25/38/15/485253815.db2.gz WGSBDOUKWYLERN-HOTGVXAUSA-N 2 0 351.495 -0.166 20 0 FBADRP O=C(N[C@@H]1CC12CC[NH2+]CC2)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000612972903 485253280 /nfs/dbraw/zinc/25/32/80/485253280.db2.gz WGSBDOUKWYLERN-HZPDHXFCSA-N 2 0 351.495 -0.166 20 0 FBADRP O=C(N[C@@H]1CC12CC[NH2+]CC2)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000612972905 485253853 /nfs/dbraw/zinc/25/38/53/485253853.db2.gz WGSBDOUKWYLERN-JKSUJKDBSA-N 2 0 351.495 -0.166 20 0 FBADRP CC1[C@H](C(=O)N2C[C@@H]3C[NH+](C)C[C@@H]3C2)[C@H]1C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000614125581 484451218 /nfs/dbraw/zinc/45/12/18/484451218.db2.gz WNGUSHDTUBRYEI-RFSXOUPVSA-N 2 0 360.502 -0.092 20 0 FBADRP C[C@@H](C[NH+](C)C)NC(=O)c1cc(=O)cc(C(=O)N[C@@H](C)C[NH+](C)C)o1 ZINC000614839002 484557869 /nfs/dbraw/zinc/55/78/69/484557869.db2.gz MJILHPWNPSIYOL-RYUDHWBXSA-N 2 0 352.435 0.000 20 0 FBADRP CC[C@H](C(=O)NCCN1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1)[NH+](C)C ZINC000614908272 484631477 /nfs/dbraw/zinc/63/14/77/484631477.db2.gz DUIZAQINBCKGJN-CVEARBPZSA-N 2 0 355.527 -0.073 20 0 FBADRP CC[C@@H](C(=O)NCCN1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1)[NH+](C)C ZINC000614908275 484632312 /nfs/dbraw/zinc/63/23/12/484632312.db2.gz DUIZAQINBCKGJN-HOTGVXAUSA-N 2 0 355.527 -0.073 20 0 FBADRP CC[C@H](C(=O)NCCN1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1)[NH+](C)C ZINC000614908276 484631951 /nfs/dbraw/zinc/63/19/51/484631951.db2.gz DUIZAQINBCKGJN-HZPDHXFCSA-N 2 0 355.527 -0.073 20 0 FBADRP CC[C@H](C(=O)N1CCN(CCNC(=O)[C@H](CC)[NH+](C)C)CC1)[NH+](C)C ZINC000614908277 484631744 /nfs/dbraw/zinc/63/17/44/484631744.db2.gz DUIZAQINBCKGJN-JKSUJKDBSA-N 2 0 355.527 -0.073 20 0 FBADRP C[NH+]1CCC[C@H]1C(=O)N1CCN(CCNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000614909023 484632763 /nfs/dbraw/zinc/63/27/63/484632763.db2.gz NRMDJYCHROZMEV-HOTGVXAUSA-N 2 0 351.495 -0.565 20 0 FBADRP C[NH+]1CCC[C@@H]1C(=O)N1CCN(CCNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000614909024 484632980 /nfs/dbraw/zinc/63/29/80/484632980.db2.gz NRMDJYCHROZMEV-HZPDHXFCSA-N 2 0 351.495 -0.565 20 0 FBADRP C[NH+](C)C1(C(=O)NCCN2CCN(C(=O)C3([NH+](C)C)CC3)CC2)CC1 ZINC000614909897 484634828 /nfs/dbraw/zinc/63/48/28/484634828.db2.gz XXWMUDSZTRDSTN-UHFFFAOYSA-N 2 0 351.495 -0.565 20 0 FBADRP C[NH+]1C[C@H]2CCN(C(=O)c3cc(C(=O)N4CC[C@H]5C[N@@H+](C)C[C@@H]54)[nH]n3)[C@@H]2C1 ZINC000615185099 484966561 /nfs/dbraw/zinc/96/65/61/484966561.db2.gz UZIPWGOUAXSKGK-AZQPONJRSA-N 2 0 372.473 -0.038 20 0 FBADRP C[NH+]1C[C@H]2CCN(C(=O)c3cc(C(=O)N4CC[C@H]5C[N@@H+](C)C[C@H]54)[nH]n3)[C@@H]2C1 ZINC000615185100 484967095 /nfs/dbraw/zinc/96/70/95/484967095.db2.gz UZIPWGOUAXSKGK-DLTLXFJOSA-N 2 0 372.473 -0.038 20 0 FBADRP C[NH+]1C[C@H]2CCN(C(=O)c3cc(C(=O)N4CC[C@H]5C[N@@H+](C)C[C@H]54)[nH]n3)[C@H]2C1 ZINC000615185101 484967213 /nfs/dbraw/zinc/96/72/13/484967213.db2.gz UZIPWGOUAXSKGK-GANFFNEQSA-N 2 0 372.473 -0.038 20 0 FBADRP C[NH+]1C[C@H]2CCN(C(=O)c3cc(C(=O)N4CC[C@H]5C[N@@H+](C)C[C@@H]54)[nH]n3)[C@H]2C1 ZINC000615185102 484966693 /nfs/dbraw/zinc/96/66/93/484966693.db2.gz UZIPWGOUAXSKGK-RMHZUWNSSA-N 2 0 372.473 -0.038 20 0 FBADRP C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC[NH+]1C ZINC000615216441 484980570 /nfs/dbraw/zinc/98/05/70/484980570.db2.gz XXMKSXBQDSYIHO-IBEHDNSVSA-N 2 0 354.495 -0.398 20 0 FBADRP C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC[NH+]1C ZINC000615216442 484980531 /nfs/dbraw/zinc/98/05/31/484980531.db2.gz XXMKSXBQDSYIHO-OXGONZEZSA-N 2 0 354.495 -0.398 20 0 FBADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCOC[C@@H]2[C@H]2CCC[N@@H+]2C)CC1=O ZINC000615263546 485026760 /nfs/dbraw/zinc/02/67/60/485026760.db2.gz IBQDLKHEYGKFLJ-BZUAXINKSA-N 2 0 352.479 -0.282 20 0 FBADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCOC[C@H]2[C@H]2CCC[N@@H+]2C)CC1=O ZINC000615263548 485025800 /nfs/dbraw/zinc/02/58/00/485025800.db2.gz IBQDLKHEYGKFLJ-OAGGEKHMSA-N 2 0 352.479 -0.282 20 0 FBADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCOC[C@@H]2[C@@H]2CCC[N@@H+]2C)CC1=O ZINC000615263549 485027115 /nfs/dbraw/zinc/02/71/15/485027115.db2.gz IBQDLKHEYGKFLJ-OWCLPIDISA-N 2 0 352.479 -0.282 20 0 FBADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCOC[C@H]2[C@@H]2CCC[N@@H+]2C)CC1=O ZINC000615263551 485028806 /nfs/dbraw/zinc/02/88/06/485028806.db2.gz IBQDLKHEYGKFLJ-PMPSAXMXSA-N 2 0 352.479 -0.282 20 0 FBADRP CN1CC[NH+](CC2CN(C(=O)[C@H]3CC(=O)N(CC[NH+](C)C)C3)C2)CC1 ZINC000615272626 485035737 /nfs/dbraw/zinc/03/57/37/485035737.db2.gz AJMHVCLFBGRAMA-INIZCTEOSA-N 2 0 351.495 -0.898 20 0 FBADRP CN1CC[NH+](CC2CN(C(=O)[C@@H]3CC(=O)N(CC[NH+](C)C)C3)C2)CC1 ZINC000615272627 485035381 /nfs/dbraw/zinc/03/53/81/485035381.db2.gz AJMHVCLFBGRAMA-MRXNPFEDSA-N 2 0 351.495 -0.898 20 0 FBADRP C[NH+]1CC[C@H]2CN(C(=O)c3cc(C(=O)N4C[C@H]5CC[N@@H+](C)[C@H]5C4)[nH]n3)C[C@H]21 ZINC000615850831 484431116 /nfs/dbraw/zinc/43/11/16/484431116.db2.gz UBGXQTXVJXPURW-GANFFNEQSA-N 2 0 372.473 -0.038 20 0 FBADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)cc1 ZINC000616327478 483397305 /nfs/dbraw/zinc/39/73/05/483397305.db2.gz NWXVINGBVXDOMK-AWEZNQCLSA-N 2 0 352.435 -0.396 20 0 FBADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)cc1 ZINC000616327479 483397127 /nfs/dbraw/zinc/39/71/27/483397127.db2.gz NWXVINGBVXDOMK-CQSZACIVSA-N 2 0 352.435 -0.396 20 0 FBADRP C[C@@H](CNC(=O)c1cc(=O)cc(C(=O)NC[C@H](C)[NH+](C)C)o1)[NH+](C)C ZINC000616487374 483626002 /nfs/dbraw/zinc/62/60/02/483626002.db2.gz VVUNXVKWGZTROA-RYUDHWBXSA-N 2 0 352.435 0.000 20 0 FBADRP CN1CCN(C(=O)C2([NH+](C)C)CC2)C[C@@H]1CNC(=O)C1([NH+](C)C)CC1 ZINC000616510009 483627353 /nfs/dbraw/zinc/62/73/53/483627353.db2.gz HMRNHMHYQVYHHK-AWEZNQCLSA-N 2 0 351.495 -0.566 20 0 FBADRP CN1CCN(C(=O)C2([NH+](C)C)CC2)C[C@H]1CNC(=O)C1([NH+](C)C)CC1 ZINC000616510013 483628206 /nfs/dbraw/zinc/62/82/06/483628206.db2.gz HMRNHMHYQVYHHK-CQSZACIVSA-N 2 0 351.495 -0.566 20 0 FBADRP CN(CC1C[NH+](C)C1)C(=O)[C@H]1CC[C@@H](C(=O)N(C)CC2C[NH+](C)C2)O1 ZINC000618189397 483633475 /nfs/dbraw/zinc/63/34/75/483633475.db2.gz IFIWZXDEFZVMMK-IYBDPMFKSA-N 2 0 352.479 -0.426 20 0 FBADRP C[NH+](C)CC(=O)N1CCN(CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000620278158 484599956 /nfs/dbraw/zinc/59/99/56/484599956.db2.gz VIPAXPKPPUNIOB-UHFFFAOYSA-N 2 0 351.495 -0.565 20 0 FBADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CC1=O ZINC000620484915 484604011 /nfs/dbraw/zinc/60/40/11/484604011.db2.gz OWQWDMOLEJMITP-GDBMZVCRSA-N 2 0 352.479 -0.546 20 0 FBADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CC1=O ZINC000620484918 484604365 /nfs/dbraw/zinc/60/43/65/484604365.db2.gz OWQWDMOLEJMITP-GOEBONIOSA-N 2 0 352.479 -0.546 20 0 FBADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)CC1=O ZINC000620484919 484603573 /nfs/dbraw/zinc/60/35/73/484603573.db2.gz OWQWDMOLEJMITP-HOCLYGCPSA-N 2 0 352.479 -0.546 20 0 FBADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)CC1=O ZINC000620484920 484604167 /nfs/dbraw/zinc/60/41/67/484604167.db2.gz OWQWDMOLEJMITP-ZBFHGGJFSA-N 2 0 352.479 -0.546 20 0 FBADRP C[NH+](C)CCC[C@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CCO1 ZINC000620970492 484619294 /nfs/dbraw/zinc/61/92/94/484619294.db2.gz RCQKCYOFVNLDMD-CVEARBPZSA-N 2 0 354.495 -0.034 20 0 FBADRP C[NH+](C)CCC[C@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CCO1 ZINC000620970493 484618900 /nfs/dbraw/zinc/61/89/00/484618900.db2.gz RCQKCYOFVNLDMD-HOTGVXAUSA-N 2 0 354.495 -0.034 20 0 FBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CCO1 ZINC000620970494 484619380 /nfs/dbraw/zinc/61/93/80/484619380.db2.gz RCQKCYOFVNLDMD-HZPDHXFCSA-N 2 0 354.495 -0.034 20 0 FBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CCO1 ZINC000620970495 484619358 /nfs/dbraw/zinc/61/93/58/484619358.db2.gz RCQKCYOFVNLDMD-JKSUJKDBSA-N 2 0 354.495 -0.034 20 0 FBADRP CNS(=O)(=O)CC[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000621258198 484649812 /nfs/dbraw/zinc/64/98/12/484649812.db2.gz AQFOPPTUPATKSZ-UHFFFAOYSA-N 2 0 362.540 -0.048 20 0 FBADRP NC(=O)c1cc(F)ccc1N1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000621778530 484705557 /nfs/dbraw/zinc/70/55/57/484705557.db2.gz QXWVZVAWMYJVBU-UHFFFAOYSA-N 2 0 363.437 -0.132 20 0 FBADRP C[C@H]([NH3+])CCNC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000621832363 484720701 /nfs/dbraw/zinc/72/07/01/484720701.db2.gz UOSQHWUKDIAKOR-NSHDSACASA-N 2 0 363.418 -0.052 20 0 FBADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CCCO1 ZINC000621837319 484724977 /nfs/dbraw/zinc/72/49/77/484724977.db2.gz DYBMTMODFQDQLI-IIDMSEBBSA-N 2 0 352.479 -0.057 20 0 FBADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CCCO1 ZINC000621837320 484724756 /nfs/dbraw/zinc/72/47/56/484724756.db2.gz DYBMTMODFQDQLI-RKVPGOIHSA-N 2 0 352.479 -0.057 20 0 FBADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CCCO1 ZINC000621837321 484725361 /nfs/dbraw/zinc/72/53/61/484725361.db2.gz DYBMTMODFQDQLI-RVKKMQEKSA-N 2 0 352.479 -0.057 20 0 FBADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CCCO1 ZINC000621837322 484724659 /nfs/dbraw/zinc/72/46/59/484724659.db2.gz DYBMTMODFQDQLI-VKJFTORMSA-N 2 0 352.479 -0.057 20 0 FBADRP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)NC1CC[NH+]([C@H]3CCC[C@H]3O)CC1)C2 ZINC000621838335 484725014 /nfs/dbraw/zinc/72/50/14/484725014.db2.gz CIKOXGFBZCWMJP-DEWZPKMOSA-N 2 0 364.490 -0.180 20 0 FBADRP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)NC1CC[NH+]([C@@H]3CCC[C@@H]3O)CC1)C2 ZINC000621838336 484724470 /nfs/dbraw/zinc/72/44/70/484724470.db2.gz CIKOXGFBZCWMJP-RGPZOAQRSA-N 2 0 364.490 -0.180 20 0 FBADRP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)NC1CC[NH+]([C@H]3CCC[C@@H]3O)CC1)C2 ZINC000621838337 484724571 /nfs/dbraw/zinc/72/45/71/484724571.db2.gz CIKOXGFBZCWMJP-UEABVUSTSA-N 2 0 364.490 -0.180 20 0 FBADRP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)NC1CC[NH+]([C@@H]3CCC[C@H]3O)CC1)C2 ZINC000621838338 484725236 /nfs/dbraw/zinc/72/52/36/484725236.db2.gz CIKOXGFBZCWMJP-ZIGSKRJUSA-N 2 0 364.490 -0.180 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)C1 ZINC000621839590 484725589 /nfs/dbraw/zinc/72/55/89/484725589.db2.gz VFUMKSKHGJMGCL-DAYGRLMNSA-N 2 0 352.479 -0.201 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)C1 ZINC000621839591 484724858 /nfs/dbraw/zinc/72/48/58/484724858.db2.gz VFUMKSKHGJMGCL-HDMKZQKVSA-N 2 0 352.479 -0.201 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)C1 ZINC000621839592 484724628 /nfs/dbraw/zinc/72/46/28/484724628.db2.gz VFUMKSKHGJMGCL-IIDMSEBBSA-N 2 0 352.479 -0.201 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)C1 ZINC000621839593 484725087 /nfs/dbraw/zinc/72/50/87/484725087.db2.gz VFUMKSKHGJMGCL-RKVPGOIHSA-N 2 0 352.479 -0.201 20 0 FBADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3C[C@@H]4CCC[C@]4([NH3+])C3)C2)CC1 ZINC000621839873 484724533 /nfs/dbraw/zinc/72/45/33/484724533.db2.gz ZVSDGMSPSBDYSZ-DOXZYTNZSA-N 2 0 363.506 -0.389 20 0 FBADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3C[C@H]4CCC[C@]4([NH3+])C3)C2)CC1 ZINC000621839874 484725393 /nfs/dbraw/zinc/72/53/93/484725393.db2.gz ZVSDGMSPSBDYSZ-VCBZYWHSSA-N 2 0 363.506 -0.389 20 0 FBADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3C[C@@H]4CCC[C@@]4([NH3+])C3)C2)CC1 ZINC000621839875 484725304 /nfs/dbraw/zinc/72/53/04/484725304.db2.gz ZVSDGMSPSBDYSZ-YZVOILCLSA-N 2 0 363.506 -0.389 20 0 FBADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3C[C@H]4CCC[C@@]4([NH3+])C3)C2)CC1 ZINC000621839876 484725624 /nfs/dbraw/zinc/72/56/24/484725624.db2.gz ZVSDGMSPSBDYSZ-ZRGWGRIASA-N 2 0 363.506 -0.389 20 0 FBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)C1 ZINC000621839923 484725462 /nfs/dbraw/zinc/72/54/62/484725462.db2.gz AKXSBMWIFGTMOH-GLJUWKHASA-N 2 0 365.478 -0.970 20 0 FBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)C1 ZINC000621839924 484725203 /nfs/dbraw/zinc/72/52/03/484725203.db2.gz AKXSBMWIFGTMOH-HBUWYVDXSA-N 2 0 365.478 -0.970 20 0 FBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)C1 ZINC000621839925 484724563 /nfs/dbraw/zinc/72/45/63/484724563.db2.gz AKXSBMWIFGTMOH-LBTNJELSSA-N 2 0 365.478 -0.970 20 0 FBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)C1 ZINC000621839926 484725072 /nfs/dbraw/zinc/72/50/72/484725072.db2.gz AKXSBMWIFGTMOH-QWQRMKEZSA-N 2 0 365.478 -0.970 20 0 FBADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000621840128 484725273 /nfs/dbraw/zinc/72/52/73/484725273.db2.gz DKBIWMJJJRFATR-KBXCAEBGSA-N 2 0 351.495 -0.532 20 0 FBADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000621840129 484724639 /nfs/dbraw/zinc/72/46/39/484724639.db2.gz DKBIWMJJJRFATR-KDOFPFPSSA-N 2 0 351.495 -0.532 20 0 FBADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000621840130 484725290 /nfs/dbraw/zinc/72/52/90/484725290.db2.gz DKBIWMJJJRFATR-KSSFIOAISA-N 2 0 351.495 -0.532 20 0 FBADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000621840131 484725158 /nfs/dbraw/zinc/72/51/58/484725158.db2.gz DKBIWMJJJRFATR-RDTXWAMCSA-N 2 0 351.495 -0.532 20 0 FBADRP CC(C)[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1)N1CC[NH+](C)CC1 ZINC000621840644 484724882 /nfs/dbraw/zinc/72/48/82/484724882.db2.gz LKZOZJGURNNJDF-BXWFABGCSA-N 2 0 365.522 -0.286 20 0 FBADRP CC(C)[C@H](CNC(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1)N1CC[NH+](C)CC1 ZINC000621840645 484724908 /nfs/dbraw/zinc/72/49/08/484724908.db2.gz LKZOZJGURNNJDF-GJYPPUQNSA-N 2 0 365.522 -0.286 20 0 FBADRP CC(C)[C@H](CNC(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1)N1CC[NH+](C)CC1 ZINC000621840646 484724647 /nfs/dbraw/zinc/72/46/47/484724647.db2.gz LKZOZJGURNNJDF-JTDSTZFVSA-N 2 0 365.522 -0.286 20 0 FBADRP CC(C)[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1)N1CC[NH+](C)CC1 ZINC000621840647 484724523 /nfs/dbraw/zinc/72/45/23/484724523.db2.gz LKZOZJGURNNJDF-TXPKVOOTSA-N 2 0 365.522 -0.286 20 0 FBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CC1(C)C ZINC000621841241 484726673 /nfs/dbraw/zinc/72/66/73/484726673.db2.gz SGCQUGDUCZTVJX-KBXCAEBGSA-N 2 0 351.495 -0.532 20 0 FBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CC1(C)C ZINC000621841242 484726311 /nfs/dbraw/zinc/72/63/11/484726311.db2.gz SGCQUGDUCZTVJX-KDOFPFPSSA-N 2 0 351.495 -0.532 20 0 FBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CC1(C)C ZINC000621841243 484726513 /nfs/dbraw/zinc/72/65/13/484726513.db2.gz SGCQUGDUCZTVJX-KSSFIOAISA-N 2 0 351.495 -0.532 20 0 FBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CC1(C)C ZINC000621841244 484726216 /nfs/dbraw/zinc/72/62/16/484726216.db2.gz SGCQUGDUCZTVJX-RDTXWAMCSA-N 2 0 351.495 -0.532 20 0 FBADRP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)NC1CC[NH+](C[C@H]3CCOC3)CC1)C2 ZINC000621841445 484726287 /nfs/dbraw/zinc/72/62/87/484726287.db2.gz VMHGWTSSIBWNKM-CLCXKQKWSA-N 2 0 364.490 -0.057 20 0 FBADRP [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)NC1CC[NH+](C[C@@H]3CCOC3)CC1)C2 ZINC000621841446 484726438 /nfs/dbraw/zinc/72/64/38/484726438.db2.gz VMHGWTSSIBWNKM-DOXZYTNZSA-N 2 0 364.490 -0.057 20 0 FBADRP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)NC1CC[NH+](C[C@@H]3CCOC3)CC1)C2 ZINC000621841447 484726493 /nfs/dbraw/zinc/72/64/93/484726493.db2.gz VMHGWTSSIBWNKM-KHYOSLBOSA-N 2 0 364.490 -0.057 20 0 FBADRP [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)NC1CC[NH+](C[C@H]3CCOC3)CC1)C2 ZINC000621841448 484726873 /nfs/dbraw/zinc/72/68/73/484726873.db2.gz VMHGWTSSIBWNKM-VCBZYWHSSA-N 2 0 364.490 -0.057 20 0 FBADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000621843416 484726855 /nfs/dbraw/zinc/72/68/55/484726855.db2.gz FGKANNLWZHJXNG-APWZRJJASA-N 2 0 365.522 -0.140 20 0 FBADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000621843417 484726110 /nfs/dbraw/zinc/72/61/10/484726110.db2.gz FGKANNLWZHJXNG-LPHOPBHVSA-N 2 0 365.522 -0.140 20 0 FBADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000621843418 484726657 /nfs/dbraw/zinc/72/66/57/484726657.db2.gz FGKANNLWZHJXNG-QFBILLFUSA-N 2 0 365.522 -0.140 20 0 FBADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000621843419 484726761 /nfs/dbraw/zinc/72/67/61/484726761.db2.gz FGKANNLWZHJXNG-VQIMIIECSA-N 2 0 365.522 -0.140 20 0 FBADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000621843731 484726832 /nfs/dbraw/zinc/72/68/32/484726832.db2.gz KQEBFBKRAHKMND-KBXCAEBGSA-N 2 0 352.479 -0.057 20 0 FBADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000621843732 484726626 /nfs/dbraw/zinc/72/66/26/484726626.db2.gz KQEBFBKRAHKMND-KDOFPFPSSA-N 2 0 352.479 -0.057 20 0 FBADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000621843733 484726267 /nfs/dbraw/zinc/72/62/67/484726267.db2.gz KQEBFBKRAHKMND-KSSFIOAISA-N 2 0 352.479 -0.057 20 0 FBADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000621843734 484726795 /nfs/dbraw/zinc/72/67/95/484726795.db2.gz KQEBFBKRAHKMND-RDTXWAMCSA-N 2 0 352.479 -0.057 20 0 FBADRP CN1CC[NH+](CCCCNC(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000621844370 484726154 /nfs/dbraw/zinc/72/61/54/484726154.db2.gz QJGNFEVQFKBZQW-CRAIPNDOSA-N 2 0 351.495 -0.530 20 0 FBADRP CN1CC[NH+](CCCCNC(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000621844371 484726348 /nfs/dbraw/zinc/72/63/48/484726348.db2.gz QJGNFEVQFKBZQW-MAUKXSAKSA-N 2 0 351.495 -0.530 20 0 FBADRP CN1CC[NH+](CCCCNC(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000621844372 484726412 /nfs/dbraw/zinc/72/64/12/484726412.db2.gz QJGNFEVQFKBZQW-QAPCUYQASA-N 2 0 351.495 -0.530 20 0 FBADRP CN1CC[NH+](CCCCNC(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000621844373 484726639 /nfs/dbraw/zinc/72/66/39/484726639.db2.gz QJGNFEVQFKBZQW-YJBOKZPZSA-N 2 0 351.495 -0.530 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000621845255 484726376 /nfs/dbraw/zinc/72/63/76/484726376.db2.gz GNZCASJLNCWRJA-GJYPPUQNSA-N 2 0 365.522 -0.284 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000621845256 484726078 /nfs/dbraw/zinc/72/60/78/484726078.db2.gz GNZCASJLNCWRJA-GPMSIDNRSA-N 2 0 365.522 -0.284 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000621845257 484726393 /nfs/dbraw/zinc/72/63/93/484726393.db2.gz GNZCASJLNCWRJA-JTDSTZFVSA-N 2 0 365.522 -0.284 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000621845258 484726801 /nfs/dbraw/zinc/72/68/01/484726801.db2.gz GNZCASJLNCWRJA-MDZRGWNJSA-N 2 0 365.522 -0.284 20 0 FBADRP C[C@H](CNC(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1)C[NH+]1CCN(C)CC1 ZINC000621845630 484726450 /nfs/dbraw/zinc/72/64/50/484726450.db2.gz MPIHGQVQZPXOEO-IIDMSEBBSA-N 2 0 351.495 -0.674 20 0 FBADRP C[C@H](CNC(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1)C[NH+]1CCN(C)CC1 ZINC000621845631 484726731 /nfs/dbraw/zinc/72/67/31/484726731.db2.gz MPIHGQVQZPXOEO-RKVPGOIHSA-N 2 0 351.495 -0.674 20 0 FBADRP C[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1)C[NH+]1CCN(C)CC1 ZINC000621845632 484726472 /nfs/dbraw/zinc/72/64/72/484726472.db2.gz MPIHGQVQZPXOEO-RVKKMQEKSA-N 2 0 351.495 -0.674 20 0 FBADRP C[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1)C[NH+]1CCN(C)CC1 ZINC000621845633 484726271 /nfs/dbraw/zinc/72/62/71/484726271.db2.gz MPIHGQVQZPXOEO-VKJFTORMSA-N 2 0 351.495 -0.674 20 0 FBADRP [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)NC1CC[NH+]([C@@H]3CCOC3)CC1)C2 ZINC000621849162 484727551 /nfs/dbraw/zinc/72/75/51/484727551.db2.gz OGOZWEDSTBNSCD-JOQOYGCGSA-N 2 0 350.463 -0.304 20 0 FBADRP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)NC1CC[NH+]([C@@H]3CCOC3)CC1)C2 ZINC000621849163 484728390 /nfs/dbraw/zinc/72/83/90/484728390.db2.gz OGOZWEDSTBNSCD-SIIHOXLZSA-N 2 0 350.463 -0.304 20 0 FBADRP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)NC1CC[NH+]([C@H]3CCOC3)CC1)C2 ZINC000621849164 484727524 /nfs/dbraw/zinc/72/75/24/484727524.db2.gz OGOZWEDSTBNSCD-XUWXXGDYSA-N 2 0 350.463 -0.304 20 0 FBADRP [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)NC1CC[NH+]([C@H]3CCOC3)CC1)C2 ZINC000621849165 484727730 /nfs/dbraw/zinc/72/77/30/484727730.db2.gz OGOZWEDSTBNSCD-YEWWUXTCSA-N 2 0 350.463 -0.304 20 0 FBADRP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)N1CCC(C[NH+]3CCOCC3)CC1)C2 ZINC000622025520 484757346 /nfs/dbraw/zinc/75/73/46/484757346.db2.gz RRLHTINMUBIBIS-APWZRJJASA-N 2 0 364.490 -0.103 20 0 FBADRP [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)N1CCC(C[NH+]3CCOCC3)CC1)C2 ZINC000622025521 484757846 /nfs/dbraw/zinc/75/78/46/484757846.db2.gz RRLHTINMUBIBIS-LPHOPBHVSA-N 2 0 364.490 -0.103 20 0 FBADRP [NH3+][C@@]12CCC[C@H]1CN(C(=O)C(=O)N1CCC(C[NH+]3CCOCC3)CC1)C2 ZINC000622025522 484757799 /nfs/dbraw/zinc/75/77/99/484757799.db2.gz RRLHTINMUBIBIS-QFBILLFUSA-N 2 0 364.490 -0.103 20 0 FBADRP [NH3+][C@@]12CCC[C@@H]1CN(C(=O)C(=O)N1CCC(C[NH+]3CCOCC3)CC1)C2 ZINC000622025523 484757472 /nfs/dbraw/zinc/75/74/72/484757472.db2.gz RRLHTINMUBIBIS-VQIMIIECSA-N 2 0 364.490 -0.103 20 0 FBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622026189 484757165 /nfs/dbraw/zinc/75/71/65/484757165.db2.gz GQJJRYBOFAIBSP-MPGHIAIKSA-N 2 0 352.479 -0.105 20 0 FBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622026190 484757525 /nfs/dbraw/zinc/75/75/25/484757525.db2.gz GQJJRYBOFAIBSP-RLFYNMQTSA-N 2 0 352.479 -0.105 20 0 FBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622026191 484756748 /nfs/dbraw/zinc/75/67/48/484756748.db2.gz GQJJRYBOFAIBSP-RVKKMQEKSA-N 2 0 352.479 -0.105 20 0 FBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622026192 484757072 /nfs/dbraw/zinc/75/70/72/484757072.db2.gz GQJJRYBOFAIBSP-VKJFTORMSA-N 2 0 352.479 -0.105 20 0 FBADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622026489 484757133 /nfs/dbraw/zinc/75/71/33/484757133.db2.gz LIPYQTBFOQTBSM-BEFAXECRSA-N 2 0 365.522 -0.189 20 0 FBADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622026490 484757291 /nfs/dbraw/zinc/75/72/91/484757291.db2.gz LIPYQTBFOQTBSM-DNVCBOLYSA-N 2 0 365.522 -0.189 20 0 FBADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622026491 484756895 /nfs/dbraw/zinc/75/68/95/484756895.db2.gz LIPYQTBFOQTBSM-HNAYVOBHSA-N 2 0 365.522 -0.189 20 0 FBADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622026492 484757394 /nfs/dbraw/zinc/75/73/94/484757394.db2.gz LIPYQTBFOQTBSM-KXBFYZLASA-N 2 0 365.522 -0.189 20 0 FBADRP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)N1CC[NH+](CC3CCOCC3)CC1)C2 ZINC000622027362 484757842 /nfs/dbraw/zinc/75/78/42/484757842.db2.gz ASEGTJLKJIEJSD-APWZRJJASA-N 2 0 364.490 -0.103 20 0 FBADRP [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)N1CC[NH+](CC3CCOCC3)CC1)C2 ZINC000622027363 484757768 /nfs/dbraw/zinc/75/77/68/484757768.db2.gz ASEGTJLKJIEJSD-LPHOPBHVSA-N 2 0 364.490 -0.103 20 0 FBADRP [NH3+][C@@]12CCC[C@H]1CN(C(=O)C(=O)N1CC[NH+](CC3CCOCC3)CC1)C2 ZINC000622027364 484757729 /nfs/dbraw/zinc/75/77/29/484757729.db2.gz ASEGTJLKJIEJSD-QFBILLFUSA-N 2 0 364.490 -0.103 20 0 FBADRP [NH3+][C@@]12CCC[C@@H]1CN(C(=O)C(=O)N1CC[NH+](CC3CCOCC3)CC1)C2 ZINC000622027365 484757114 /nfs/dbraw/zinc/75/71/14/484757114.db2.gz ASEGTJLKJIEJSD-VQIMIIECSA-N 2 0 364.490 -0.103 20 0 FBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622027602 484758252 /nfs/dbraw/zinc/75/82/52/484758252.db2.gz FDFPXGYASFOHFA-CRAIPNDOSA-N 2 0 351.495 -0.578 20 0 FBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622027603 484758780 /nfs/dbraw/zinc/75/87/80/484758780.db2.gz FDFPXGYASFOHFA-MAUKXSAKSA-N 2 0 351.495 -0.578 20 0 FBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622027604 484758326 /nfs/dbraw/zinc/75/83/26/484758326.db2.gz FDFPXGYASFOHFA-QAPCUYQASA-N 2 0 351.495 -0.578 20 0 FBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622027605 484759167 /nfs/dbraw/zinc/75/91/67/484759167.db2.gz FDFPXGYASFOHFA-YJBOKZPZSA-N 2 0 351.495 -0.578 20 0 FBADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000622028202 484758861 /nfs/dbraw/zinc/75/88/61/484758861.db2.gz NSMCMJNLMBXOPG-KBXCAEBGSA-N 2 0 352.479 -0.105 20 0 FBADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000622028203 484759150 /nfs/dbraw/zinc/75/91/50/484759150.db2.gz NSMCMJNLMBXOPG-KDOFPFPSSA-N 2 0 352.479 -0.105 20 0 FBADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000622028204 484758553 /nfs/dbraw/zinc/75/85/53/484758553.db2.gz NSMCMJNLMBXOPG-KSSFIOAISA-N 2 0 352.479 -0.105 20 0 FBADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000622028205 484758208 /nfs/dbraw/zinc/75/82/08/484758208.db2.gz NSMCMJNLMBXOPG-RDTXWAMCSA-N 2 0 352.479 -0.105 20 0 FBADRP [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)N1CCC[C@H](C[NH+]3CCOCC3)C1)C2 ZINC000622028262 484758911 /nfs/dbraw/zinc/75/89/11/484758911.db2.gz OLVZQTUNPDFPKF-GJYPPUQNSA-N 2 0 364.490 -0.103 20 0 FBADRP [NH3+][C@@]12CCC[C@@H]1CN(C(=O)C(=O)N1CCC[C@H](C[NH+]3CCOCC3)C1)C2 ZINC000622028263 484759178 /nfs/dbraw/zinc/75/91/78/484759178.db2.gz OLVZQTUNPDFPKF-GPMSIDNRSA-N 2 0 364.490 -0.103 20 0 FBADRP [NH3+][C@@]12CCC[C@H]1CN(C(=O)C(=O)N1CCC[C@H](C[NH+]3CCOCC3)C1)C2 ZINC000622028264 484759098 /nfs/dbraw/zinc/75/90/98/484759098.db2.gz OLVZQTUNPDFPKF-JTDSTZFVSA-N 2 0 364.490 -0.103 20 0 FBADRP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)N1CCC[C@H](C[NH+]3CCOCC3)C1)C2 ZINC000622028265 484758616 /nfs/dbraw/zinc/75/86/16/484758616.db2.gz OLVZQTUNPDFPKF-MDZRGWNJSA-N 2 0 364.490 -0.103 20 0 FBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3C[C@@H]4CCC[C@]4([NH3+])C3)CC2)C1 ZINC000622028295 484759033 /nfs/dbraw/zinc/75/90/33/484759033.db2.gz OZWHFZVTIQNZGX-BXWFABGCSA-N 2 0 363.506 -0.435 20 0 FBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3C[C@H]4CCC[C@]4([NH3+])C3)CC2)C1 ZINC000622028296 484758758 /nfs/dbraw/zinc/75/87/58/484758758.db2.gz OZWHFZVTIQNZGX-GJYPPUQNSA-N 2 0 363.506 -0.435 20 0 FBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3C[C@H]4CCC[C@@]4([NH3+])C3)CC2)C1 ZINC000622028297 484758630 /nfs/dbraw/zinc/75/86/30/484758630.db2.gz OZWHFZVTIQNZGX-JTDSTZFVSA-N 2 0 363.506 -0.435 20 0 FBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3C[C@@H]4CCC[C@@]4([NH3+])C3)CC2)C1 ZINC000622028298 484758568 /nfs/dbraw/zinc/75/85/68/484758568.db2.gz OZWHFZVTIQNZGX-TXPKVOOTSA-N 2 0 363.506 -0.435 20 0 FBADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000622029080 484758505 /nfs/dbraw/zinc/75/85/05/484758505.db2.gz ZWYCJEYNTQIRGD-KBXCAEBGSA-N 2 0 352.479 -0.369 20 0 FBADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000622029081 484758454 /nfs/dbraw/zinc/75/84/54/484758454.db2.gz ZWYCJEYNTQIRGD-KDOFPFPSSA-N 2 0 352.479 -0.369 20 0 FBADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000622029082 484758996 /nfs/dbraw/zinc/75/89/96/484758996.db2.gz ZWYCJEYNTQIRGD-KSSFIOAISA-N 2 0 352.479 -0.369 20 0 FBADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000622029083 484759004 /nfs/dbraw/zinc/75/90/04/484759004.db2.gz ZWYCJEYNTQIRGD-RDTXWAMCSA-N 2 0 352.479 -0.369 20 0 FBADRP [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)N1CCC[C@@H](C[NH+]3CCOCC3)C1)C2 ZINC000622030000 484759674 /nfs/dbraw/zinc/75/96/74/484759674.db2.gz OLVZQTUNPDFPKF-BXWFABGCSA-N 2 0 364.490 -0.103 20 0 FBADRP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)N1CCC[C@@H](C[NH+]3CCOCC3)C1)C2 ZINC000622030001 484760435 /nfs/dbraw/zinc/76/04/35/484760435.db2.gz OLVZQTUNPDFPKF-FCEWJHQRSA-N 2 0 364.490 -0.103 20 0 FBADRP [NH3+][C@@]12CCC[C@@H]1CN(C(=O)C(=O)N1CCC[C@@H](C[NH+]3CCOCC3)C1)C2 ZINC000622030002 484760278 /nfs/dbraw/zinc/76/02/78/484760278.db2.gz OLVZQTUNPDFPKF-FRQCXROJSA-N 2 0 364.490 -0.103 20 0 FBADRP [NH3+][C@@]12CCC[C@H]1CN(C(=O)C(=O)N1CCC[C@@H](C[NH+]3CCOCC3)C1)C2 ZINC000622030003 484760593 /nfs/dbraw/zinc/76/05/93/484760593.db2.gz OLVZQTUNPDFPKF-TXPKVOOTSA-N 2 0 364.490 -0.103 20 0 FBADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622030981 484759800 /nfs/dbraw/zinc/75/98/00/484759800.db2.gz FJAKTHLNYDTQBA-CRAIPNDOSA-N 2 0 353.511 -0.332 20 0 FBADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622030982 484760400 /nfs/dbraw/zinc/76/04/00/484760400.db2.gz FJAKTHLNYDTQBA-MAUKXSAKSA-N 2 0 353.511 -0.332 20 0 FBADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622030983 484759659 /nfs/dbraw/zinc/75/96/59/484759659.db2.gz FJAKTHLNYDTQBA-QAPCUYQASA-N 2 0 353.511 -0.332 20 0 FBADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622030984 484760003 /nfs/dbraw/zinc/76/00/03/484760003.db2.gz FJAKTHLNYDTQBA-YJBOKZPZSA-N 2 0 353.511 -0.332 20 0 FBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CCO1 ZINC000622031478 484761638 /nfs/dbraw/zinc/76/16/38/484761638.db2.gz OBRSSLOGNFKWPD-DAYGRLMNSA-N 2 0 352.479 -0.105 20 0 FBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CCO1 ZINC000622031479 484761524 /nfs/dbraw/zinc/76/15/24/484761524.db2.gz OBRSSLOGNFKWPD-HDMKZQKVSA-N 2 0 352.479 -0.105 20 0 FBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CCO1 ZINC000622031480 484761739 /nfs/dbraw/zinc/76/17/39/484761739.db2.gz OBRSSLOGNFKWPD-IIDMSEBBSA-N 2 0 352.479 -0.105 20 0 FBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CCO1 ZINC000622031481 484761792 /nfs/dbraw/zinc/76/17/92/484761792.db2.gz OBRSSLOGNFKWPD-RKVPGOIHSA-N 2 0 352.479 -0.105 20 0 FBADRP O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)N[C@@H]1Cc2cncn2C1 ZINC000623265497 484463405 /nfs/dbraw/zinc/46/34/05/484463405.db2.gz HQDKFEFHUBHHLV-GDBMZVCRSA-N 2 0 361.446 -0.363 20 0 FBADRP O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)N[C@H]1Cc2cncn2C1 ZINC000623265498 484463386 /nfs/dbraw/zinc/46/33/86/484463386.db2.gz HQDKFEFHUBHHLV-GOEBONIOSA-N 2 0 361.446 -0.363 20 0 FBADRP O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)N[C@H]1Cc2cncn2C1 ZINC000623265499 484463587 /nfs/dbraw/zinc/46/35/87/484463587.db2.gz HQDKFEFHUBHHLV-HOCLYGCPSA-N 2 0 361.446 -0.363 20 0 FBADRP O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)N[C@@H]1Cc2cncn2C1 ZINC000623265500 484463280 /nfs/dbraw/zinc/46/32/80/484463280.db2.gz HQDKFEFHUBHHLV-ZBFHGGJFSA-N 2 0 361.446 -0.363 20 0 FBADRP CC[NH+](CC)CCCNC(=O)C1CCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC000623857650 483839236 /nfs/dbraw/zinc/83/92/36/483839236.db2.gz STJGIXLUYXVHPU-UHFFFAOYSA-N 2 0 350.471 -0.239 20 0 FBADRP C[NH+](C)CC(C)(C)CNC(=O)C1CCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC000623882734 484837904 /nfs/dbraw/zinc/83/79/04/484837904.db2.gz GSBKTPNMOZYQJY-UHFFFAOYSA-N 2 0 350.471 -0.383 20 0 FBADRP Nc1nc(N2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)nc(N)[nH+]1 ZINC000623902119 484839627 /nfs/dbraw/zinc/83/96/27/484839627.db2.gz AYTWYRACKURDPD-UHFFFAOYSA-N 2 0 362.482 -0.095 20 0 FBADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNc3nc(N)[nH+]c(N)n3)c2)C1 ZINC000623955400 484840764 /nfs/dbraw/zinc/84/07/64/484840764.db2.gz ZAYLEXLFWWVJQO-CYBMUJFWSA-N 2 0 356.434 -0.572 20 0 FBADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNc3nc(N)[nH+]c(N)n3)c2)C1 ZINC000623955401 484840552 /nfs/dbraw/zinc/84/05/52/484840552.db2.gz ZAYLEXLFWWVJQO-ZDUSSCGKSA-N 2 0 356.434 -0.572 20 0 FBADRP C[NH+](C)CCOc1ccccc1N1CCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC000623985916 484845169 /nfs/dbraw/zinc/84/51/69/484845169.db2.gz GWJNEUFZSFLQQL-UHFFFAOYSA-N 2 0 358.450 -0.036 20 0 FBADRP CN1CCOC[C@@H]1CNC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000624108708 484855173 /nfs/dbraw/zinc/85/51/73/484855173.db2.gz BEFGLFWJLVBTIP-HNNXBMFYSA-N 2 0 355.483 -0.392 20 0 FBADRP CN1CCOC[C@H]1CNC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000624108709 484856000 /nfs/dbraw/zinc/85/60/00/484856000.db2.gz BEFGLFWJLVBTIP-OAHLLOKOSA-N 2 0 355.483 -0.392 20 0 FBADRP C[NH2+]CCOCCN(C)S(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C ZINC000624398130 483696263 /nfs/dbraw/zinc/69/62/63/483696263.db2.gz YCBGUDRSWJIBGP-UHFFFAOYSA-N 2 0 361.512 -0.082 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CC[C@@H]1NC(=O)NC1=O ZINC000624650374 483431966 /nfs/dbraw/zinc/43/19/66/483431966.db2.gz MEEKRXJEGMACCW-KBPBESRZSA-N 2 0 353.467 -0.151 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CC[C@@H]1NC(=O)NC1=O ZINC000624650375 483432801 /nfs/dbraw/zinc/43/28/01/483432801.db2.gz MEEKRXJEGMACCW-KGLIPLIRSA-N 2 0 353.467 -0.151 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CC[C@H]1NC(=O)NC1=O ZINC000624650376 483431820 /nfs/dbraw/zinc/43/18/20/483431820.db2.gz MEEKRXJEGMACCW-UONOGXRCSA-N 2 0 353.467 -0.151 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CC[C@H]1NC(=O)NC1=O ZINC000624650377 483431900 /nfs/dbraw/zinc/43/19/00/483431900.db2.gz MEEKRXJEGMACCW-ZIAGYGMSSA-N 2 0 353.467 -0.151 20 0 FBADRP Cc1c(NCC[NH+]2CC[C@@H](O)C2)ncnc1NCC[N@@H+]1CC[C@@H](O)C1 ZINC000624677824 484200386 /nfs/dbraw/zinc/20/03/86/484200386.db2.gz FMFXUMQFKAMSFP-HUUCEWRRSA-N 2 0 350.467 -0.258 20 0 FBADRP Cc1nc(NCC[NH+]2CC[C@@H](O)C2)cc(NCC[N@@H+]2CC[C@@H](O)C2)n1 ZINC000624681086 484461785 /nfs/dbraw/zinc/46/17/85/484461785.db2.gz NAUPPPLLEAQPAL-HUUCEWRRSA-N 2 0 350.467 -0.258 20 0 FBADRP Cc1nc(NCC[NH+]2CC[C@H](O)C2)cc(NCC[N@@H+]2CC[C@H](O)C2)n1 ZINC000624774054 484460818 /nfs/dbraw/zinc/46/08/18/484460818.db2.gz NAUPPPLLEAQPAL-GJZGRUSLSA-N 2 0 350.467 -0.258 20 0 FBADRP Cc1c(NCC[NH+]2CC[C@H](O)C2)ncnc1NCC[N@@H+]1CC[C@H](O)C1 ZINC000624775773 484200018 /nfs/dbraw/zinc/20/00/18/484200018.db2.gz FMFXUMQFKAMSFP-GJZGRUSLSA-N 2 0 350.467 -0.258 20 0 FBADRP CN1C(=O)CN(CC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000624951747 483446847 /nfs/dbraw/zinc/44/68/47/483446847.db2.gz PMSSYIZAXJYDRM-UHFFFAOYSA-N 2 0 374.445 -0.396 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CN1CC(=O)N(C)C1=O ZINC000625024149 483451161 /nfs/dbraw/zinc/45/11/61/483451161.db2.gz IMSIGNZHEQKPFV-AWEZNQCLSA-N 2 0 353.467 -0.245 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CN1CC(=O)N(C)C1=O ZINC000625024162 483451207 /nfs/dbraw/zinc/45/12/07/483451207.db2.gz IMSIGNZHEQKPFV-CQSZACIVSA-N 2 0 353.467 -0.245 20 0 FBADRP Cn1cc(N2C[C@@H](C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC2=O)cn1 ZINC000625286525 483533596 /nfs/dbraw/zinc/53/35/96/483533596.db2.gz HXEXUGAJCGGAID-AWEZNQCLSA-N 2 0 350.467 -0.275 20 0 FBADRP Cn1cc(N2C[C@H](C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC2=O)cn1 ZINC000625286527 483533569 /nfs/dbraw/zinc/53/35/69/483533569.db2.gz HXEXUGAJCGGAID-CQSZACIVSA-N 2 0 350.467 -0.275 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccnc(N2CCOCC2)n1 ZINC000625286531 483533404 /nfs/dbraw/zinc/53/34/04/483533404.db2.gz HZTFEAOHSNHAPH-UHFFFAOYSA-N 2 0 350.467 -0.121 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2CCC[C@]2(CO)C1 ZINC000625464760 483708534 /nfs/dbraw/zinc/70/85/34/483708534.db2.gz CAORTPANUIVBNS-MAUKXSAKSA-N 2 0 354.495 -0.441 20 0 FBADRP COC[C@]1(C)CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCO1 ZINC000625465539 483708895 /nfs/dbraw/zinc/70/88/95/483708895.db2.gz IBLWWEGZOFSEKS-KRWDZBQOSA-N 2 0 358.483 -0.798 20 0 FBADRP COC[C@@]1(C)CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCO1 ZINC000625465540 483708929 /nfs/dbraw/zinc/70/89/29/483708929.db2.gz IBLWWEGZOFSEKS-QGZVFWFLSA-N 2 0 358.483 -0.798 20 0 FBADRP O=C(NC[C@@H]1CC[NH+]1C1CCCC1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000625673901 483739104 /nfs/dbraw/zinc/73/91/04/483739104.db2.gz WEQRZNMCVPAHDZ-HRCADAONSA-N 2 0 350.463 -0.603 20 0 FBADRP O=C(NC[C@H]1CC[NH+]1C1CCCC1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000625673904 483739168 /nfs/dbraw/zinc/73/91/68/483739168.db2.gz WEQRZNMCVPAHDZ-OWCLPIDISA-N 2 0 350.463 -0.603 20 0 FBADRP CN(CC1C[NH+](C)C1)C(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000625746510 483743267 /nfs/dbraw/zinc/74/32/67/483743267.db2.gz KNRQQWGYOQOETD-UHFFFAOYSA-N 2 0 352.479 -0.280 20 0 FBADRP CC(CC[NH+]1CCO[C@@H](CC(N)=O)C1)CC[N@@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000626076342 483873137 /nfs/dbraw/zinc/87/31/37/483873137.db2.gz KPEXVPCAZWRMOE-HOTGVXAUSA-N 2 0 370.494 -0.445 20 0 FBADRP CC(CC[NH+]1CCO[C@H](CC(N)=O)C1)CC[N@@H+]1CCO[C@H](CC(N)=O)C1 ZINC000626076343 483873073 /nfs/dbraw/zinc/87/30/73/483873073.db2.gz KPEXVPCAZWRMOE-HZPDHXFCSA-N 2 0 370.494 -0.445 20 0 FBADRP C[C@@H](CC[NH+]1CCO[C@H](CC(N)=O)C1)CC[N@@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000626076344 483873144 /nfs/dbraw/zinc/87/31/44/483873144.db2.gz KPEXVPCAZWRMOE-MUJYYYPQSA-N 2 0 370.494 -0.445 20 0 FBADRP NC(=O)C[C@@H]1C[NH+](CCCCC[N@@H+]2CCO[C@@H](CC(N)=O)C2)CCO1 ZINC000626078575 483872985 /nfs/dbraw/zinc/87/29/85/483872985.db2.gz KIBPYVARXPDEDG-GASCZTMLSA-N 2 0 356.467 -0.691 20 0 FBADRP NC(=O)C[C@H]1C[NH+](CCCCC[N@@H+]2CCO[C@@H](CC(N)=O)C2)CCO1 ZINC000626078576 483873115 /nfs/dbraw/zinc/87/31/15/483873115.db2.gz KIBPYVARXPDEDG-GJZGRUSLSA-N 2 0 356.467 -0.691 20 0 FBADRP NC(=O)C[C@@H]1C[NH+](CCCCC[N@@H+]2CCO[C@H](CC(N)=O)C2)CCO1 ZINC000626078577 483873089 /nfs/dbraw/zinc/87/30/89/483873089.db2.gz KIBPYVARXPDEDG-HUUCEWRRSA-N 2 0 356.467 -0.691 20 0 FBADRP CN1C(=O)CN(CC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1=O ZINC000626270424 483882574 /nfs/dbraw/zinc/88/25/74/483882574.db2.gz ZOEWYPMNVQENNW-YIONKMFJSA-N 2 0 363.462 -0.350 20 0 FBADRP C[NH+](C)CCn1ccc(NC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)n1 ZINC000626405539 484106345 /nfs/dbraw/zinc/10/63/45/484106345.db2.gz XDJWKLFMFPGHMQ-ZDUSSCGKSA-N 2 0 351.455 -0.094 20 0 FBADRP C[NH+](C)CCn1nccc1NC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000626573598 484772002 /nfs/dbraw/zinc/77/20/02/484772002.db2.gz COZKBPMQUNYVJE-ZDUSSCGKSA-N 2 0 351.455 -0.094 20 0 FBADRP COCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000626804763 485170846 /nfs/dbraw/zinc/17/08/46/485170846.db2.gz VBSGCAGTNDJADG-UHFFFAOYSA-N 2 0 350.419 -0.199 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)C1 ZINC000626805487 485171884 /nfs/dbraw/zinc/17/18/84/485171884.db2.gz MTCQBQXNQKTKQY-HNNXBMFYSA-N 2 0 362.430 -0.056 20 0 FBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)C1 ZINC000626805488 485171764 /nfs/dbraw/zinc/17/17/64/485171764.db2.gz MTCQBQXNQKTKQY-OAHLLOKOSA-N 2 0 362.430 -0.056 20 0 FBADRP C[NH+](C)C[C@@](C)(O)CNC(=O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000626810800 485177024 /nfs/dbraw/zinc/17/70/24/485177024.db2.gz OGGGGFNGVSHBDU-KRWDZBQOSA-N 2 0 350.419 -0.464 20 0 FBADRP C[NH+](C)C[C@](C)(O)CNC(=O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000626810801 485176755 /nfs/dbraw/zinc/17/67/55/485176755.db2.gz OGGGGFNGVSHBDU-QGZVFWFLSA-N 2 0 350.419 -0.464 20 0 FBADRP CC[N@H+](CCO)CCNC(=O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000626814876 485178423 /nfs/dbraw/zinc/17/84/23/485178423.db2.gz UWIDTVBKUAWSJA-UHFFFAOYSA-N 2 0 350.419 -0.463 20 0 FBADRP C[NH+](C)CCOCCNC(=O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000626818353 485185166 /nfs/dbraw/zinc/18/51/66/485185166.db2.gz HUTUROWVZHUZJP-UHFFFAOYSA-N 2 0 350.419 -0.199 20 0 FBADRP COCC[NH2+]CCCNC(=O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000626819314 485185812 /nfs/dbraw/zinc/18/58/12/485185812.db2.gz QRBWRACAIRYPCZ-UHFFFAOYSA-N 2 0 350.419 -0.151 20 0 FBADRP O=C(Nc1ccc2c(c1)OCC[NH2+]C2)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000626841459 485240420 /nfs/dbraw/zinc/24/04/20/485240420.db2.gz PSHRDOUVTZTCDL-LSDHHAIUSA-N 2 0 360.414 -0.616 20 0 FBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000626848170 485268894 /nfs/dbraw/zinc/26/88/94/485268894.db2.gz JVRKLHVEMAXGPU-INIZCTEOSA-N 2 0 373.457 -0.273 20 0 FBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000626848182 485269061 /nfs/dbraw/zinc/26/90/61/485269061.db2.gz KBZRVQFEPZPRHE-INIZCTEOSA-N 2 0 373.457 -0.273 20 0 FBADRP C[NH2+]Cc1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000626848434 485269909 /nfs/dbraw/zinc/26/99/09/485269909.db2.gz PUBWTEBWQUYITM-HNNXBMFYSA-N 2 0 361.446 -0.200 20 0 FBADRP C[NH2+]Cc1cccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000626848803 485270304 /nfs/dbraw/zinc/27/03/04/485270304.db2.gz WCIGZKYYPWKCIQ-HNNXBMFYSA-N 2 0 361.446 -0.200 20 0 FBADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000626849008 485269955 /nfs/dbraw/zinc/26/99/55/485269955.db2.gz ZTLUWDBKVDFGKU-HNNXBMFYSA-N 2 0 361.446 -0.200 20 0 FBADRP CCN(CC[NH3+])C(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000626854487 485279023 /nfs/dbraw/zinc/27/90/23/485279023.db2.gz NRJCQTLTOYIOFE-UHFFFAOYSA-N 2 0 363.418 -0.098 20 0 FBADRP C[NH+](C)CCOc1cccc(NC(=O)C(=O)NC[C@H]2COCC[NH2+]2)c1 ZINC000626878877 485299974 /nfs/dbraw/zinc/29/99/74/485299974.db2.gz CIAGUHZCYUCCBM-AWEZNQCLSA-N 2 0 350.419 -0.330 20 0 FBADRP C[NH+](C)CCOc1cccc(NC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)c1 ZINC000626878880 485299237 /nfs/dbraw/zinc/29/92/37/485299237.db2.gz CIAGUHZCYUCCBM-CQSZACIVSA-N 2 0 350.419 -0.330 20 0 FBADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)NC[C@H]2COCC[NH2+]2)cc1 ZINC000626879497 485299926 /nfs/dbraw/zinc/29/99/26/485299926.db2.gz KSZDXJNNMDPBEE-AWEZNQCLSA-N 2 0 350.419 -0.330 20 0 FBADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)cc1 ZINC000626879499 485299560 /nfs/dbraw/zinc/29/95/60/485299560.db2.gz KSZDXJNNMDPBEE-CQSZACIVSA-N 2 0 350.419 -0.330 20 0 FBADRP Cc1cc(NC(=O)C(=O)NC[C@H]2COCC[NH2+]2)ccc1OCC[NH+](C)C ZINC000626882653 485302671 /nfs/dbraw/zinc/30/26/71/485302671.db2.gz AKCVDMRKPNTJNG-HNNXBMFYSA-N 2 0 364.446 -0.021 20 0 FBADRP Cc1cc(NC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)ccc1OCC[NH+](C)C ZINC000626882655 485302641 /nfs/dbraw/zinc/30/26/41/485302641.db2.gz AKCVDMRKPNTJNG-OAHLLOKOSA-N 2 0 364.446 -0.021 20 0 FBADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)cc1F ZINC000626883383 485303688 /nfs/dbraw/zinc/30/36/88/485303688.db2.gz QKKRXUDXVXIOCG-CYBMUJFWSA-N 2 0 368.409 -0.191 20 0 FBADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)NC[C@H]2COCC[NH2+]2)cc1F ZINC000626883384 485303847 /nfs/dbraw/zinc/30/38/47/485303847.db2.gz QKKRXUDXVXIOCG-ZDUSSCGKSA-N 2 0 368.409 -0.191 20 0 FBADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000626899931 485315527 /nfs/dbraw/zinc/31/55/27/485315527.db2.gz RILDMGXJMDWDNK-GFCCVEGCSA-N 2 0 350.394 -0.407 20 0 FBADRP C[NH+](C)CCn1c2cc(NC(=O)C(=O)N[C@@H]3CC[NH2+]C3)ccc2oc1=O ZINC000626912484 485322282 /nfs/dbraw/zinc/32/22/82/485322282.db2.gz AVDDLBNJZYZQTP-GFCCVEGCSA-N 2 0 361.402 -0.427 20 0 FBADRP O=C(NCC[N@H+]1CC[C@H](O)C1)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000626915591 485322748 /nfs/dbraw/zinc/32/27/48/485322748.db2.gz RILDMGXJMDWDNK-LBPRGKRZSA-N 2 0 350.394 -0.407 20 0 FBADRP CN(CCOCC[NH3+])C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000626928367 485333522 /nfs/dbraw/zinc/33/35/22/485333522.db2.gz ASDUESSDNCIWMM-UHFFFAOYSA-N 2 0 350.467 -0.050 20 0 FBADRP C[NH2+]CCOCCNC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000626928410 485333295 /nfs/dbraw/zinc/33/32/95/485333295.db2.gz BQHZLWFDYOAASD-UHFFFAOYSA-N 2 0 350.467 -0.131 20 0 FBADRP C[NH+]1CCN(c2ccc(CNC(=O)NCCOCCC[NH3+])cn2)CC1 ZINC000626928738 485333415 /nfs/dbraw/zinc/33/34/15/485333415.db2.gz HVIOBJZZTWJJCO-UHFFFAOYSA-N 2 0 350.467 -0.002 20 0 FBADRP CN(CCOCC[NH3+])C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000626931534 485335526 /nfs/dbraw/zinc/33/55/26/485335526.db2.gz HYQVVWHGOPKDFF-UHFFFAOYSA-N 2 0 350.467 -0.050 20 0 FBADRP C[NH+]1CCN(c2cc(CNC(=O)NCCOCCC[NH3+])ccn2)CC1 ZINC000626932608 485335112 /nfs/dbraw/zinc/33/51/12/485335112.db2.gz XGMLORZBDNQXCA-UHFFFAOYSA-N 2 0 350.467 -0.002 20 0 FBADRP C[NH2+]CCOCCNC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000626932658 485335663 /nfs/dbraw/zinc/33/56/63/485335663.db2.gz XUQOYWFJVOBBQY-UHFFFAOYSA-N 2 0 350.467 -0.131 20 0 FBADRP COCC[N@H+](C)CCCNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000626938146 485337097 /nfs/dbraw/zinc/33/70/97/485337097.db2.gz BBFLCCCFNWKZTN-UHFFFAOYSA-N 2 0 370.498 -0.693 20 0 FBADRP O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000626938247 485336864 /nfs/dbraw/zinc/33/68/64/485336864.db2.gz OJHFDVXWQLZOMG-CVEARBPZSA-N 2 0 364.494 -0.034 20 0 FBADRP O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000626938248 485336905 /nfs/dbraw/zinc/33/69/05/485336905.db2.gz OJHFDVXWQLZOMG-HOTGVXAUSA-N 2 0 364.494 -0.034 20 0 FBADRP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000626938249 485336988 /nfs/dbraw/zinc/33/69/88/485336988.db2.gz OJHFDVXWQLZOMG-HZPDHXFCSA-N 2 0 364.494 -0.034 20 0 FBADRP O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000626938250 485337304 /nfs/dbraw/zinc/33/73/04/485337304.db2.gz OJHFDVXWQLZOMG-JKSUJKDBSA-N 2 0 364.494 -0.034 20 0 FBADRP C[NH2+]CCOCCNC(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000626953249 485339971 /nfs/dbraw/zinc/33/99/71/485339971.db2.gz OFQBLLFPZMMDLK-UHFFFAOYSA-N 2 0 350.467 -0.131 20 0 FBADRP CN(CCOCC[NH3+])C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000626953632 485340204 /nfs/dbraw/zinc/34/02/04/485340204.db2.gz YALSLMNIASBRGI-UHFFFAOYSA-N 2 0 350.467 -0.050 20 0 FBADRP C[NH+]1CCN(c2ncccc2CNC(=O)NCCOCCC[NH3+])CC1 ZINC000626953683 485339902 /nfs/dbraw/zinc/33/99/02/485339902.db2.gz ZIAUQQCSXPURKP-UHFFFAOYSA-N 2 0 350.467 -0.002 20 0 FBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NC[C@H]1COCC[NH2+]1 ZINC000626958261 483886657 /nfs/dbraw/zinc/88/66/57/483886657.db2.gz HLDHHCXIUMEJQC-INIZCTEOSA-N 3 0 362.478 -0.119 20 0 FBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NC[C@@H]1COCC[NH2+]1 ZINC000626958262 483886626 /nfs/dbraw/zinc/88/66/26/483886626.db2.gz HLDHHCXIUMEJQC-MRXNPFEDSA-N 3 0 362.478 -0.119 20 0 FBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC1(C[NH3+])CCOCC1 ZINC000626964157 484213753 /nfs/dbraw/zinc/21/37/53/484213753.db2.gz NDYVKHYKXKPLEC-AWEZNQCLSA-N 2 0 355.483 -0.264 20 0 FBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NC1(C[NH3+])CCOCC1 ZINC000626964158 484211788 /nfs/dbraw/zinc/21/17/88/484211788.db2.gz NDYVKHYKXKPLEC-CQSZACIVSA-N 2 0 355.483 -0.264 20 0 FBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCC1([NH3+])CCOCC1 ZINC000626964195 484214900 /nfs/dbraw/zinc/21/49/00/484214900.db2.gz OFLXXHCDTJORPY-AWEZNQCLSA-N 2 0 355.483 -0.264 20 0 FBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCC1([NH3+])CCOCC1 ZINC000626964196 484214984 /nfs/dbraw/zinc/21/49/84/484214984.db2.gz OFLXXHCDTJORPY-CQSZACIVSA-N 2 0 355.483 -0.264 20 0 FBADRP CC[N@H+](CCNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)C1CC1 ZINC000626964483 484213099 /nfs/dbraw/zinc/21/30/99/484213099.db2.gz GTZODWSSBDUZGA-UHFFFAOYSA-N 2 0 352.483 -0.177 20 0 FBADRP C[NH2+]CCOCCN(C)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000626974592 484218784 /nfs/dbraw/zinc/21/87/84/484218784.db2.gz SYAZMRBYTVIWNQ-UHFFFAOYSA-N 2 0 357.499 -0.194 20 0 FBADRP C[NH2+]CCOCCN(C)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000626979564 484223856 /nfs/dbraw/zinc/22/38/56/484223856.db2.gz CWANRPBFAYTSNP-INIZCTEOSA-N 2 0 357.499 -0.730 20 0 FBADRP C[NH2+]CCOCCN(C)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000626979565 484223610 /nfs/dbraw/zinc/22/36/10/484223610.db2.gz CWANRPBFAYTSNP-MRXNPFEDSA-N 2 0 357.499 -0.730 20 0 FBADRP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000626982233 484226028 /nfs/dbraw/zinc/22/60/28/484226028.db2.gz CZJUXMFXODSYTD-INIZCTEOSA-N 2 0 364.494 -0.177 20 0 FBADRP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000626982234 484226345 /nfs/dbraw/zinc/22/63/45/484226345.db2.gz CZJUXMFXODSYTD-MRXNPFEDSA-N 2 0 364.494 -0.177 20 0 FBADRP COCCC[N@H+](C)CCNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000626986895 484232893 /nfs/dbraw/zinc/23/28/93/484232893.db2.gz PVQYYWAVKDFJPC-UHFFFAOYSA-N 2 0 370.498 -0.693 20 0 FBADRP C[NH2+]CCOCCN(C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000627034050 484287498 /nfs/dbraw/zinc/28/74/98/484287498.db2.gz CCRLNTDCDXPFSY-MQVJKMGUSA-N 2 0 369.510 -0.053 20 0 FBADRP [NH3+]C[C@@H]1CN(C(=O)NCC(=O)N2CC[NH2+]CC2)CC[C@H]1C(F)(F)F ZINC000627063973 484309169 /nfs/dbraw/zinc/30/91/69/484309169.db2.gz OFTWYJVDRLOONZ-GHMZBOCLSA-N 2 0 351.373 -0.413 20 0 FBADRP [NH3+]C[C@@H]1CN(C(=O)NCC(=O)N2CC[NH2+]CC2)CC[C@@H]1C(F)(F)F ZINC000627063982 484308433 /nfs/dbraw/zinc/30/84/33/484308433.db2.gz OFTWYJVDRLOONZ-MNOVXSKESA-N 2 0 351.373 -0.413 20 0 FBADRP [NH3+]C[C@H]1CN(C(=O)NCC(=O)N2CC[NH2+]CC2)CC[C@@H]1C(F)(F)F ZINC000627063983 484309098 /nfs/dbraw/zinc/30/90/98/484309098.db2.gz OFTWYJVDRLOONZ-QWRGUYRKSA-N 2 0 351.373 -0.413 20 0 FBADRP [NH3+]C[C@H]1CN(C(=O)NCC(=O)N2CC[NH2+]CC2)CC[C@H]1C(F)(F)F ZINC000627063984 484308803 /nfs/dbraw/zinc/30/88/03/484308803.db2.gz OFTWYJVDRLOONZ-WDEREUQCSA-N 2 0 351.373 -0.413 20 0 FBADRP CCC1([NH+]2CCOCC2)CCN(C(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000627065173 484310413 /nfs/dbraw/zinc/31/04/13/484310413.db2.gz AJKDUXXRIKAXKI-UHFFFAOYSA-N 2 0 367.494 -0.295 20 0 FBADRP COCC[NH2+]CCNC(=O)NC[C@H]1CN(Cc2ccncc2)CCO1 ZINC000627082133 484327919 /nfs/dbraw/zinc/32/79/19/484327919.db2.gz CNRFHACVDXFBSB-INIZCTEOSA-N 2 0 351.451 -0.182 20 0 FBADRP COCC[NH2+]CCNC(=O)NC[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000627082134 484327722 /nfs/dbraw/zinc/32/77/22/484327722.db2.gz CNRFHACVDXFBSB-MRXNPFEDSA-N 2 0 351.451 -0.182 20 0 FBADRP C[NH2+]CCOCCN(C)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000627090952 484331424 /nfs/dbraw/zinc/33/14/24/484331424.db2.gz DFNJMJPGIGPVRR-GFCCVEGCSA-N 2 0 355.405 -0.300 20 0 FBADRP C[NH2+]CCOCCN(C)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000627090953 484330746 /nfs/dbraw/zinc/33/07/46/484330746.db2.gz DFNJMJPGIGPVRR-LBPRGKRZSA-N 2 0 355.405 -0.300 20 0 FBADRP [NH3+]CC1(NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CCOCC1 ZINC000627091456 484330950 /nfs/dbraw/zinc/33/09/50/484330950.db2.gz QQRXEULRXMLHDF-LLVKDONJSA-N 2 0 353.389 -0.370 20 0 FBADRP [NH3+]CC1(NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CCOCC1 ZINC000627091457 484331567 /nfs/dbraw/zinc/33/15/67/484331567.db2.gz QQRXEULRXMLHDF-NSHDSACASA-N 2 0 353.389 -0.370 20 0 FBADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000627091641 484332375 /nfs/dbraw/zinc/33/23/75/484332375.db2.gz VWDHYRWPLPQOBG-NEPJUHHUSA-N 2 0 353.389 -0.812 20 0 FBADRP O=C(NCC[N@H+]1CC[C@H](O)C1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000627091642 484332637 /nfs/dbraw/zinc/33/26/37/484332637.db2.gz VWDHYRWPLPQOBG-NWDGAFQWSA-N 2 0 353.389 -0.812 20 0 FBADRP O=C(NCC[N@H+]1CC[C@H](O)C1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000627091643 484332690 /nfs/dbraw/zinc/33/26/90/484332690.db2.gz VWDHYRWPLPQOBG-RYUDHWBXSA-N 2 0 353.389 -0.812 20 0 FBADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000627091644 484332481 /nfs/dbraw/zinc/33/24/81/484332481.db2.gz VWDHYRWPLPQOBG-VXGBXAGGSA-N 2 0 353.389 -0.812 20 0 FBADRP [NH3+]C1(CNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CCOCC1 ZINC000627091785 484332506 /nfs/dbraw/zinc/33/25/06/484332506.db2.gz XOFDCKBGKXECHY-LLVKDONJSA-N 2 0 353.389 -0.370 20 0 FBADRP [NH3+]C1(CNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CCOCC1 ZINC000627091786 484332856 /nfs/dbraw/zinc/33/28/56/484332856.db2.gz XOFDCKBGKXECHY-NSHDSACASA-N 2 0 353.389 -0.370 20 0 FBADRP COC[C@@]1(CNC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CCC[NH2+]1 ZINC000627093114 484333142 /nfs/dbraw/zinc/33/31/42/484333142.db2.gz ZQXWLFLICQKXRD-KRWDZBQOSA-N 2 0 368.482 -0.893 20 0 FBADRP COC[C@]1(CNC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CCC[NH2+]1 ZINC000627093115 484332765 /nfs/dbraw/zinc/33/27/65/484332765.db2.gz ZQXWLFLICQKXRD-QGZVFWFLSA-N 2 0 368.482 -0.893 20 0 FBADRP O=C(NC[C@@H]1CN(Cc2ccncc2)CCO1)NC[C@@H]1C[NH2+]CCCO1 ZINC000627101983 484334214 /nfs/dbraw/zinc/33/42/14/484334214.db2.gz GVCJKIOFKNXAKV-DLBZAZTESA-N 2 0 363.462 -0.040 20 0 FBADRP O=C(NC[C@@H]1CN(Cc2ccncc2)CCO1)NC[C@H]1C[NH2+]CCCO1 ZINC000627101984 484334585 /nfs/dbraw/zinc/33/45/85/484334585.db2.gz GVCJKIOFKNXAKV-IAGOWNOFSA-N 2 0 363.462 -0.040 20 0 FBADRP O=C(NC[C@H]1CN(Cc2ccncc2)CCO1)NC[C@@H]1C[NH2+]CCCO1 ZINC000627101985 484334559 /nfs/dbraw/zinc/33/45/59/484334559.db2.gz GVCJKIOFKNXAKV-IRXDYDNUSA-N 2 0 363.462 -0.040 20 0 FBADRP O=C(NC[C@H]1CN(Cc2ccncc2)CCO1)NC[C@H]1C[NH2+]CCCO1 ZINC000627101986 484334367 /nfs/dbraw/zinc/33/43/67/484334367.db2.gz GVCJKIOFKNXAKV-SJORKVTESA-N 2 0 363.462 -0.040 20 0 FBADRP O=C(NCCC1CC[NH2+]CC1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000627110575 484338918 /nfs/dbraw/zinc/33/89/18/484338918.db2.gz DEIUOMGOQGLHTD-UHFFFAOYSA-N 2 0 352.483 -0.272 20 0 FBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C1 ZINC000627110914 484339055 /nfs/dbraw/zinc/33/90/55/484339055.db2.gz JXDITOJJLRMNCI-GASCZTMLSA-N 2 0 352.483 -0.321 20 0 FBADRP CCC[N@@H+]1CC[C@H](NC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C1 ZINC000627115594 484343906 /nfs/dbraw/zinc/34/39/06/484343906.db2.gz CLVUPVMXZRQNJX-HNNXBMFYSA-N 2 0 352.483 -0.177 20 0 FBADRP CCC[N@@H+]1CC[C@@H](NC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C1 ZINC000627115601 484343750 /nfs/dbraw/zinc/34/37/50/484343750.db2.gz CLVUPVMXZRQNJX-OAHLLOKOSA-N 2 0 352.483 -0.177 20 0 FBADRP O=C(N[C@H]1CC[NH2+]C12CCC2)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000627127216 484348947 /nfs/dbraw/zinc/34/89/47/484348947.db2.gz VQMHBXTYHSEOFX-AWEZNQCLSA-N 2 0 350.467 -0.377 20 0 FBADRP O=C(N[C@@H]1CC[NH2+]C12CCC2)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000627127217 484349667 /nfs/dbraw/zinc/34/96/67/484349667.db2.gz VQMHBXTYHSEOFX-CQSZACIVSA-N 2 0 350.467 -0.377 20 0 FBADRP [NH3+]C1(CNC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CCOCC1 ZINC000627148160 484358788 /nfs/dbraw/zinc/35/87/88/484358788.db2.gz REGSLHXSJRUCOG-AWEZNQCLSA-N 2 0 353.467 -0.652 20 0 FBADRP [NH3+]C1(CNC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CCOCC1 ZINC000627148164 484358847 /nfs/dbraw/zinc/35/88/47/484358847.db2.gz REGSLHXSJRUCOG-CQSZACIVSA-N 2 0 353.467 -0.652 20 0 FBADRP [NH3+]C1(CNC(=O)NCC(=O)NCC[NH+]2CCCCCC2)CCOCC1 ZINC000627148598 484360293 /nfs/dbraw/zinc/36/02/93/484360293.db2.gz FNPBDKVQRCOCBO-UHFFFAOYSA-N 2 0 355.483 -0.214 20 0 FBADRP CC(C)C[C@H](NC(=O)NCC1([NH3+])CCOCC1)C(=O)NCC[NH+](C)C ZINC000627152543 484362678 /nfs/dbraw/zinc/36/26/78/484362678.db2.gz YUSYNNHAPHXXMZ-AWEZNQCLSA-N 2 0 357.499 -0.114 20 0 FBADRP C[NH2+]CCOCCNC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000627170865 484369833 /nfs/dbraw/zinc/36/98/33/484369833.db2.gz JKDVOMMTCMJMQR-CABCVRRESA-N 2 0 355.483 -0.488 20 0 FBADRP C[NH2+]CCOCCNC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000627170866 484369328 /nfs/dbraw/zinc/36/93/28/484369328.db2.gz JKDVOMMTCMJMQR-GJZGRUSLSA-N 2 0 355.483 -0.488 20 0 FBADRP C[NH2+]CCOCCNC(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000627170867 484369134 /nfs/dbraw/zinc/36/91/34/484369134.db2.gz JKDVOMMTCMJMQR-HUUCEWRRSA-N 2 0 355.483 -0.488 20 0 FBADRP C[NH2+]CCOCCNC(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000627170868 484369230 /nfs/dbraw/zinc/36/92/30/484369230.db2.gz JKDVOMMTCMJMQR-LSDHHAIUSA-N 2 0 355.483 -0.488 20 0 FBADRP C[NH2+]CCOCCNC(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000627172062 484370666 /nfs/dbraw/zinc/37/06/66/484370666.db2.gz QPZSNOMYOCZGLM-QGZVFWFLSA-N 2 0 350.463 -0.059 20 0 FBADRP COCC[NH+](CCOC)C1CCN(C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000627189329 484379079 /nfs/dbraw/zinc/37/90/79/484379079.db2.gz OQLSFBMVPZVXAK-HNNXBMFYSA-N 2 0 358.483 -0.256 20 0 FBADRP COCC[NH+](CCOC)C1CCN(C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000627189330 484378849 /nfs/dbraw/zinc/37/88/49/484378849.db2.gz OQLSFBMVPZVXAK-OAHLLOKOSA-N 2 0 358.483 -0.256 20 0 FBADRP [NH3+]CCCOCCNC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000627218657 484406045 /nfs/dbraw/zinc/40/60/45/484406045.db2.gz BMVFTPGJVXQCJO-CABCVRRESA-N 2 0 355.483 -0.358 20 0 FBADRP [NH3+]CCCOCCNC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000627218658 484406199 /nfs/dbraw/zinc/40/61/99/484406199.db2.gz BMVFTPGJVXQCJO-GJZGRUSLSA-N 2 0 355.483 -0.358 20 0 FBADRP [NH3+]CCCOCCNC(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000627218659 484405747 /nfs/dbraw/zinc/40/57/47/484405747.db2.gz BMVFTPGJVXQCJO-HUUCEWRRSA-N 2 0 355.483 -0.358 20 0 FBADRP [NH3+]CCCOCCNC(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000627218660 484406810 /nfs/dbraw/zinc/40/68/10/484406810.db2.gz BMVFTPGJVXQCJO-LSDHHAIUSA-N 2 0 355.483 -0.358 20 0 FBADRP C[C@H]1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C[NH2+]1 ZINC000627287666 484474053 /nfs/dbraw/zinc/47/40/53/484474053.db2.gz CAOOYIYOAXVTAN-DZGCQCFKSA-N 2 0 367.494 -0.698 20 0 FBADRP C[C@@H]1CC[C@H](NC(=O)C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C[NH2+]1 ZINC000627287667 484473806 /nfs/dbraw/zinc/47/38/06/484473806.db2.gz CAOOYIYOAXVTAN-HIFRSBDPSA-N 2 0 367.494 -0.698 20 0 FBADRP C[C@@H]1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C[NH2+]1 ZINC000627287668 484474343 /nfs/dbraw/zinc/47/43/43/484474343.db2.gz CAOOYIYOAXVTAN-UKRRQHHQSA-N 2 0 367.494 -0.698 20 0 FBADRP C[C@H]1CC[C@H](NC(=O)C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C[NH2+]1 ZINC000627287669 484473988 /nfs/dbraw/zinc/47/39/88/484473988.db2.gz CAOOYIYOAXVTAN-ZFWWWQNUSA-N 2 0 367.494 -0.698 20 0 FBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000627287727 484474270 /nfs/dbraw/zinc/47/42/70/484474270.db2.gz DIMKUXIWZZXEKZ-LSDHHAIUSA-N 2 0 367.494 -0.698 20 0 FBADRP CN(CCOCC[NH3+])C(=O)C(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000627290046 484493167 /nfs/dbraw/zinc/49/31/67/484493167.db2.gz CAZCERNXPZPWLD-UHFFFAOYSA-N 2 0 370.494 -0.429 20 0 FBADRP CC(C)(CNC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)N1CCOCC1 ZINC000627290192 484493124 /nfs/dbraw/zinc/49/31/24/484493124.db2.gz HHBQGGZNDCOAAY-HDICACEKSA-N 2 0 352.479 -0.329 20 0 FBADRP C[NH2+]CCOCCNC(=O)C(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000627290675 484492903 /nfs/dbraw/zinc/49/29/03/484492903.db2.gz XPBCIIHSHDEZML-UHFFFAOYSA-N 2 0 370.494 -0.510 20 0 FBADRP COc1cccc([C@@H](CNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)[NH+](C)C)c1 ZINC000627291794 484493564 /nfs/dbraw/zinc/49/35/64/484493564.db2.gz FNHMONQOMBFSKT-GDBMZVCRSA-N 2 0 364.446 -0.481 20 0 FBADRP COc1cccc([C@@H](CNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)[NH+](C)C)c1 ZINC000627291795 484494247 /nfs/dbraw/zinc/49/42/47/484494247.db2.gz FNHMONQOMBFSKT-GOEBONIOSA-N 2 0 364.446 -0.481 20 0 FBADRP COc1cccc([C@H](CNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)[NH+](C)C)c1 ZINC000627291796 484493963 /nfs/dbraw/zinc/49/39/63/484493963.db2.gz FNHMONQOMBFSKT-HOCLYGCPSA-N 2 0 364.446 -0.481 20 0 FBADRP COc1cccc([C@H](CNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)[NH+](C)C)c1 ZINC000627291797 484494156 /nfs/dbraw/zinc/49/41/56/484494156.db2.gz FNHMONQOMBFSKT-ZBFHGGJFSA-N 2 0 364.446 -0.481 20 0 FBADRP C[NH+](C)[C@H](CNC(=O)C(=O)NCC1([NH3+])CCOCC1)Cc1ccccc1 ZINC000627291835 484494195 /nfs/dbraw/zinc/49/41/95/484494195.db2.gz GJGOFGBXNIFSLF-INIZCTEOSA-N 2 0 362.474 -0.100 20 0 FBADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCOCC1)Cc1ccccc1 ZINC000627291836 484494458 /nfs/dbraw/zinc/49/44/58/484494458.db2.gz GJGOFGBXNIFSLF-MRXNPFEDSA-N 2 0 362.474 -0.100 20 0 FBADRP CCN(CC[NH3+])C(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000627292413 484493893 /nfs/dbraw/zinc/49/38/93/484493893.db2.gz URTMLHYAEVSTQW-UHFFFAOYSA-N 2 0 361.490 -0.272 20 0 FBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000627292477 484494498 /nfs/dbraw/zinc/49/44/98/484494498.db2.gz VUOPGGFGOSDBML-FUHWJXTLSA-N 2 0 373.501 -0.213 20 0 FBADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627292651 484500903 /nfs/dbraw/zinc/50/09/03/484500903.db2.gz ABXHYCKDRAMQER-INIZCTEOSA-N 2 0 362.474 -0.100 20 0 FBADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627292652 484501085 /nfs/dbraw/zinc/50/10/85/484501085.db2.gz ABXHYCKDRAMQER-MRXNPFEDSA-N 2 0 362.474 -0.100 20 0 FBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000627296777 484502404 /nfs/dbraw/zinc/50/24/04/484502404.db2.gz SFASIFRDMKPAAL-IAOVAPTHSA-N 2 0 360.458 -0.264 20 0 FBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000627296778 484502097 /nfs/dbraw/zinc/50/20/97/484502097.db2.gz SFASIFRDMKPAAL-RRQGHBQHSA-N 2 0 360.458 -0.264 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[NH2+]C[C@H]2C(C)C)C1 ZINC000627300895 484575076 /nfs/dbraw/zinc/57/50/76/484575076.db2.gz ORUYNZDNHGYQMT-CVEARBPZSA-N 2 0 354.495 -0.084 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[NH2+]C[C@H]2C(C)C)C1 ZINC000627300896 484574317 /nfs/dbraw/zinc/57/43/17/484574317.db2.gz ORUYNZDNHGYQMT-HOTGVXAUSA-N 2 0 354.495 -0.084 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[NH2+]C[C@@H]2C(C)C)C1 ZINC000627300897 484575046 /nfs/dbraw/zinc/57/50/46/484575046.db2.gz ORUYNZDNHGYQMT-HZPDHXFCSA-N 2 0 354.495 -0.084 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[NH2+]C[C@@H]2C(C)C)C1 ZINC000627300898 484575089 /nfs/dbraw/zinc/57/50/89/484575089.db2.gz ORUYNZDNHGYQMT-JKSUJKDBSA-N 2 0 354.495 -0.084 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C1 ZINC000627301113 484576433 /nfs/dbraw/zinc/57/64/33/484576433.db2.gz VGBROAAKEHMKAV-LZQZEXGQSA-N 2 0 366.506 -0.083 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C1 ZINC000627301114 484576018 /nfs/dbraw/zinc/57/60/18/484576018.db2.gz VGBROAAKEHMKAV-ZYSHUDEJSA-N 2 0 366.506 -0.083 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000627301181 484576685 /nfs/dbraw/zinc/57/66/85/484576685.db2.gz XDRAQQAXCZTWJC-CABCVRRESA-N 2 0 352.479 -0.140 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000627301182 484576410 /nfs/dbraw/zinc/57/64/10/484576410.db2.gz XDRAQQAXCZTWJC-GJZGRUSLSA-N 2 0 352.479 -0.140 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000627301183 484575474 /nfs/dbraw/zinc/57/54/74/484575474.db2.gz XDRAQQAXCZTWJC-HUUCEWRRSA-N 2 0 352.479 -0.140 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000627301184 484575518 /nfs/dbraw/zinc/57/55/18/484575518.db2.gz XDRAQQAXCZTWJC-LSDHHAIUSA-N 2 0 352.479 -0.140 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000627301245 484578305 /nfs/dbraw/zinc/57/83/05/484578305.db2.gz ZBMAFSYNHDCLFI-AWEZNQCLSA-N 2 0 356.467 -0.917 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000627301246 484578070 /nfs/dbraw/zinc/57/80/70/484578070.db2.gz ZBMAFSYNHDCLFI-CQSZACIVSA-N 2 0 356.467 -0.917 20 0 FBADRP COCC[NH+]1CCC(NC(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC1 ZINC000627302779 484582776 /nfs/dbraw/zinc/58/27/76/484582776.db2.gz XNJOFIJYQFLNEB-HDICACEKSA-N 2 0 352.479 -0.329 20 0 FBADRP CN(CCOCC[NH3+])C(=O)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000627305355 484603077 /nfs/dbraw/zinc/60/30/77/484603077.db2.gz VMBUKXIOQNMGSG-UHFFFAOYSA-N 2 0 354.426 -0.063 20 0 FBADRP C[NH+](C)Cc1cc(CNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)ccc1F ZINC000627305465 484602680 /nfs/dbraw/zinc/60/26/80/484602680.db2.gz YNMFOGWKXLBRPA-AWEZNQCLSA-N 2 0 352.410 -0.392 20 0 FBADRP C[NH+](C)Cc1cc(CNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)ccc1F ZINC000627305466 484604153 /nfs/dbraw/zinc/60/41/53/484604153.db2.gz YNMFOGWKXLBRPA-CQSZACIVSA-N 2 0 352.410 -0.392 20 0 FBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000627305601 484611835 /nfs/dbraw/zinc/61/18/35/484611835.db2.gz BRWRQYCMBBAXLM-DRPJVOAASA-N 2 0 352.479 -0.263 20 0 FBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000627305602 484611530 /nfs/dbraw/zinc/61/15/30/484611530.db2.gz BRWRQYCMBBAXLM-LCGIIJARSA-N 2 0 352.479 -0.263 20 0 FBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000627305603 484611443 /nfs/dbraw/zinc/61/14/43/484611443.db2.gz BRWRQYCMBBAXLM-UKMLZYKCSA-N 2 0 352.479 -0.263 20 0 FBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000627305604 484612568 /nfs/dbraw/zinc/61/25/68/484612568.db2.gz BRWRQYCMBBAXLM-XZDPQHSOSA-N 2 0 352.479 -0.263 20 0 FBADRP C[C@H]1CC[C@@H](NC(=O)C(=O)NCc2ccnc(OCC[NH+](C)C)c2)C[NH2+]1 ZINC000627305690 484612574 /nfs/dbraw/zinc/61/25/74/484612574.db2.gz FCVLIIPMUGPFKT-DZGCQCFKSA-N 2 0 363.462 -0.105 20 0 FBADRP C[C@@H]1CC[C@H](NC(=O)C(=O)NCc2ccnc(OCC[NH+](C)C)c2)C[NH2+]1 ZINC000627305691 484612991 /nfs/dbraw/zinc/61/29/91/484612991.db2.gz FCVLIIPMUGPFKT-HIFRSBDPSA-N 2 0 363.462 -0.105 20 0 FBADRP C[C@@H]1CC[C@@H](NC(=O)C(=O)NCc2ccnc(OCC[NH+](C)C)c2)C[NH2+]1 ZINC000627305692 484612429 /nfs/dbraw/zinc/61/24/29/484612429.db2.gz FCVLIIPMUGPFKT-UKRRQHHQSA-N 2 0 363.462 -0.105 20 0 FBADRP C[C@H]1CC[C@H](NC(=O)C(=O)NCc2ccnc(OCC[NH+](C)C)c2)C[NH2+]1 ZINC000627305693 484613205 /nfs/dbraw/zinc/61/32/05/484613205.db2.gz FCVLIIPMUGPFKT-ZFWWWQNUSA-N 2 0 363.462 -0.105 20 0 FBADRP O=C(N[C@@H]1CC[NH2+]C12CCC2)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000627305747 484611283 /nfs/dbraw/zinc/61/12/83/484611283.db2.gz GFMDEQCNZQFIGY-BZUAXINKSA-N 2 0 364.490 -0.119 20 0 FBADRP O=C(N[C@H]1CC[NH2+]C12CCC2)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000627305748 484611256 /nfs/dbraw/zinc/61/12/56/484611256.db2.gz GFMDEQCNZQFIGY-OAGGEKHMSA-N 2 0 364.490 -0.119 20 0 FBADRP O=C(N[C@@H]1CC[NH2+]C12CCC2)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000627305749 484611226 /nfs/dbraw/zinc/61/12/26/484611226.db2.gz GFMDEQCNZQFIGY-OWCLPIDISA-N 2 0 364.490 -0.119 20 0 FBADRP O=C(N[C@H]1CC[NH2+]C12CCC2)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000627305750 484611334 /nfs/dbraw/zinc/61/13/34/484611334.db2.gz GFMDEQCNZQFIGY-PMPSAXMXSA-N 2 0 364.490 -0.119 20 0 FBADRP [NH3+]CCCOCCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000627305821 484611219 /nfs/dbraw/zinc/61/12/19/484611219.db2.gz IVQAYBGHEFIPBW-CVEARBPZSA-N 2 0 370.494 -0.648 20 0 FBADRP [NH3+]CCCOCCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000627305822 484611210 /nfs/dbraw/zinc/61/12/10/484611210.db2.gz IVQAYBGHEFIPBW-HOTGVXAUSA-N 2 0 370.494 -0.648 20 0 FBADRP [NH3+]CCCOCCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000627305823 484611608 /nfs/dbraw/zinc/61/16/08/484611608.db2.gz IVQAYBGHEFIPBW-HZPDHXFCSA-N 2 0 370.494 -0.648 20 0 FBADRP [NH3+]CCCOCCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000627305824 484611409 /nfs/dbraw/zinc/61/14/09/484611409.db2.gz IVQAYBGHEFIPBW-JKSUJKDBSA-N 2 0 370.494 -0.648 20 0 FBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000627305883 484611895 /nfs/dbraw/zinc/61/18/95/484611895.db2.gz KEDLLZVAIKHSLO-FZKCQIBNSA-N 2 0 352.479 -0.263 20 0 FBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000627305884 484611060 /nfs/dbraw/zinc/61/10/60/484611060.db2.gz KEDLLZVAIKHSLO-JJXSEGSLSA-N 2 0 352.479 -0.263 20 0 FBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000627305885 484611257 /nfs/dbraw/zinc/61/12/57/484611257.db2.gz KEDLLZVAIKHSLO-XUWVNRHRSA-N 2 0 352.479 -0.263 20 0 FBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000627305886 484611854 /nfs/dbraw/zinc/61/18/54/484611854.db2.gz KEDLLZVAIKHSLO-ZJIFWQFVSA-N 2 0 352.479 -0.263 20 0 FBADRP C[C@@H]1CC[C@H](NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C[NH2+]1 ZINC000627305949 484611354 /nfs/dbraw/zinc/61/13/54/484611354.db2.gz LVXHWVHIUXAKJM-BVUBDWEXSA-N 2 0 352.479 -0.263 20 0 FBADRP C[C@@H]1CC[C@H](NC(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C[NH2+]1 ZINC000627305950 484612006 /nfs/dbraw/zinc/61/20/06/484612006.db2.gz LVXHWVHIUXAKJM-OEAJRASXSA-N 2 0 352.479 -0.263 20 0 FBADRP C[C@@H]1CC[C@H](NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C[NH2+]1 ZINC000627305951 484611193 /nfs/dbraw/zinc/61/11/93/484611193.db2.gz LVXHWVHIUXAKJM-SLBVQIDZSA-N 2 0 352.479 -0.263 20 0 FBADRP C[C@@H]1CC[C@H](NC(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C[NH2+]1 ZINC000627305952 484611539 /nfs/dbraw/zinc/61/15/39/484611539.db2.gz LVXHWVHIUXAKJM-SYAUCNOPSA-N 2 0 352.479 -0.263 20 0 FBADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000627306003 484611250 /nfs/dbraw/zinc/61/12/50/484611250.db2.gz NCVQCPLSQYOHGD-IKGGRYGDSA-N 2 0 366.506 -0.063 20 0 FBADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000627306004 484611453 /nfs/dbraw/zinc/61/14/53/484611453.db2.gz NCVQCPLSQYOHGD-IXDOHACOSA-N 2 0 366.506 -0.063 20 0 FBADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000627306005 484611098 /nfs/dbraw/zinc/61/10/98/484611098.db2.gz NCVQCPLSQYOHGD-ULQDDVLXSA-N 2 0 366.506 -0.063 20 0 FBADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000627306006 484611743 /nfs/dbraw/zinc/61/17/43/484611743.db2.gz NCVQCPLSQYOHGD-YESZJQIVSA-N 2 0 366.506 -0.063 20 0 FBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000627306099 484612929 /nfs/dbraw/zinc/61/29/29/484612929.db2.gz PPTTXKJAIPUVBD-LSDHHAIUSA-N 2 0 363.462 -0.105 20 0 FBADRP C[NH2+]CCOCCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000627306114 484612481 /nfs/dbraw/zinc/61/24/81/484612481.db2.gz PZFRBYOVSHNWCG-CVEARBPZSA-N 2 0 370.494 -0.777 20 0 FBADRP C[NH2+]CCOCCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000627306115 484612896 /nfs/dbraw/zinc/61/28/96/484612896.db2.gz PZFRBYOVSHNWCG-HOTGVXAUSA-N 2 0 370.494 -0.777 20 0 FBADRP C[NH2+]CCOCCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000627306116 484612673 /nfs/dbraw/zinc/61/26/73/484612673.db2.gz PZFRBYOVSHNWCG-HZPDHXFCSA-N 2 0 370.494 -0.777 20 0 FBADRP C[NH2+]CCOCCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000627306117 484612600 /nfs/dbraw/zinc/61/26/00/484612600.db2.gz PZFRBYOVSHNWCG-JKSUJKDBSA-N 2 0 370.494 -0.777 20 0 FBADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627312185 484648253 /nfs/dbraw/zinc/64/82/53/484648253.db2.gz RPULZRXKICLZHU-KFWWJZLASA-N 2 0 354.495 -0.036 20 0 FBADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000627312186 484649033 /nfs/dbraw/zinc/64/90/33/484649033.db2.gz RPULZRXKICLZHU-QLFBSQMISA-N 2 0 354.495 -0.036 20 0 FBADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000627312187 484648779 /nfs/dbraw/zinc/64/87/79/484648779.db2.gz RPULZRXKICLZHU-RBSFLKMASA-N 2 0 354.495 -0.036 20 0 FBADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627312188 484647997 /nfs/dbraw/zinc/64/79/97/484647997.db2.gz RPULZRXKICLZHU-ZNMIVQPWSA-N 2 0 354.495 -0.036 20 0 FBADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2COCC[NH2+]2)[C@@H](C)C1 ZINC000627313618 484656318 /nfs/dbraw/zinc/65/63/18/484656318.db2.gz JJVVMTLHHLNWTA-JYJNAYRXSA-N 2 0 370.494 -0.656 20 0 FBADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)[C@H](C)C1 ZINC000627313619 484656432 /nfs/dbraw/zinc/65/64/32/484656432.db2.gz JJVVMTLHHLNWTA-OAGGEKHMSA-N 2 0 370.494 -0.656 20 0 FBADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2COCC[NH2+]2)[C@H](C)C1 ZINC000627313620 484655502 /nfs/dbraw/zinc/65/55/02/484655502.db2.gz JJVVMTLHHLNWTA-PMPSAXMXSA-N 2 0 370.494 -0.656 20 0 FBADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)[C@@H](C)C1 ZINC000627313621 484655664 /nfs/dbraw/zinc/65/56/64/484655664.db2.gz JJVVMTLHHLNWTA-XHSDSOJGSA-N 2 0 370.494 -0.656 20 0 FBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000627313681 484655623 /nfs/dbraw/zinc/65/56/23/484655623.db2.gz KNKIURLIBCDIOZ-CWRNSKLLSA-N 2 0 351.495 -0.472 20 0 FBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000627313682 484655894 /nfs/dbraw/zinc/65/58/94/484655894.db2.gz KNKIURLIBCDIOZ-VNQPRFMTSA-N 2 0 351.495 -0.472 20 0 FBADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N[C@@H]3CC[NH2+]C34CCC4)C2)CC1 ZINC000627313877 484655835 /nfs/dbraw/zinc/65/58/35/484655835.db2.gz OHEONFTTZUQTGW-GDBMZVCRSA-N 2 0 363.506 -0.328 20 0 FBADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N[C@@H]3CC[NH2+]C34CCC4)C2)CC1 ZINC000627313878 484655344 /nfs/dbraw/zinc/65/53/44/484655344.db2.gz OHEONFTTZUQTGW-GOEBONIOSA-N 2 0 363.506 -0.328 20 0 FBADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N[C@H]3CC[NH2+]C34CCC4)C2)CC1 ZINC000627313879 484656178 /nfs/dbraw/zinc/65/61/78/484656178.db2.gz OHEONFTTZUQTGW-HOCLYGCPSA-N 2 0 363.506 -0.328 20 0 FBADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N[C@H]3CC[NH2+]C34CCC4)C2)CC1 ZINC000627313880 484656355 /nfs/dbraw/zinc/65/63/55/484656355.db2.gz OHEONFTTZUQTGW-ZBFHGGJFSA-N 2 0 363.506 -0.328 20 0 FBADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000627314064 484657156 /nfs/dbraw/zinc/65/71/56/484657156.db2.gz SZUDVEXXSWEVSL-DOTOQJQBSA-N 2 0 365.522 -0.273 20 0 FBADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000627314065 484658265 /nfs/dbraw/zinc/65/82/65/484658265.db2.gz SZUDVEXXSWEVSL-NVXWUHKLSA-N 2 0 365.522 -0.273 20 0 FBADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000627314066 484657516 /nfs/dbraw/zinc/65/75/16/484657516.db2.gz SZUDVEXXSWEVSL-RDJZCZTQSA-N 2 0 365.522 -0.273 20 0 FBADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000627314067 484658148 /nfs/dbraw/zinc/65/81/48/484658148.db2.gz SZUDVEXXSWEVSL-WBVHZDCISA-N 2 0 365.522 -0.273 20 0 FBADRP C[C@@H]1CC[C@H](NC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C[NH2+]1 ZINC000627314160 484656845 /nfs/dbraw/zinc/65/68/45/484656845.db2.gz WTXPBIUYPMDIJF-ILXRZTDVSA-N 2 0 351.495 -0.472 20 0 FBADRP C[C@@H]1CC[C@@H](NC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C[NH2+]1 ZINC000627314161 484656934 /nfs/dbraw/zinc/65/69/34/484656934.db2.gz WTXPBIUYPMDIJF-KFWWJZLASA-N 2 0 351.495 -0.472 20 0 FBADRP C[C@@H]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C[NH2+]1 ZINC000627314162 484657994 /nfs/dbraw/zinc/65/79/94/484657994.db2.gz WTXPBIUYPMDIJF-QLFBSQMISA-N 2 0 351.495 -0.472 20 0 FBADRP C[C@@H]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C[NH2+]1 ZINC000627314163 484656978 /nfs/dbraw/zinc/65/69/78/484656978.db2.gz WTXPBIUYPMDIJF-RBSFLKMASA-N 2 0 351.495 -0.472 20 0 FBADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000627314431 484657714 /nfs/dbraw/zinc/65/77/14/484657714.db2.gz CIDYLGGNDFXYSA-HNNXBMFYSA-N 2 0 356.467 -0.903 20 0 FBADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000627314432 484659711 /nfs/dbraw/zinc/65/97/11/484659711.db2.gz CIDYLGGNDFXYSA-OAHLLOKOSA-N 2 0 356.467 -0.903 20 0 FBADRP Cn1ccnc1[C@@H](NC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)c1ccccc1 ZINC000627317076 484664790 /nfs/dbraw/zinc/66/47/90/484664790.db2.gz DNNGBOKMWIYJPU-CABCVRRESA-N 2 0 357.414 -0.270 20 0 FBADRP Cn1ccnc1[C@@H](NC(=O)C(=O)NC[C@H]1COCC[NH2+]1)c1ccccc1 ZINC000627317077 484664848 /nfs/dbraw/zinc/66/48/48/484664848.db2.gz DNNGBOKMWIYJPU-GJZGRUSLSA-N 2 0 357.414 -0.270 20 0 FBADRP Cn1ccnc1[C@H](NC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)c1ccccc1 ZINC000627317078 484664597 /nfs/dbraw/zinc/66/45/97/484664597.db2.gz DNNGBOKMWIYJPU-HUUCEWRRSA-N 2 0 357.414 -0.270 20 0 FBADRP Cn1ccnc1[C@H](NC(=O)C(=O)NC[C@H]1COCC[NH2+]1)c1ccccc1 ZINC000627317079 484664303 /nfs/dbraw/zinc/66/43/03/484664303.db2.gz DNNGBOKMWIYJPU-LSDHHAIUSA-N 2 0 357.414 -0.270 20 0 FBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000627323789 484679068 /nfs/dbraw/zinc/67/90/68/484679068.db2.gz FZMYBYROHBIXBB-JKSUJKDBSA-N 2 0 374.489 -0.294 20 0 FBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000627324074 484679122 /nfs/dbraw/zinc/67/91/22/484679122.db2.gz PHOTZSQIVNTZJE-DZGCQCFKSA-N 2 0 360.462 -0.684 20 0 FBADRP C[C@@H]1CC[C@@H](NC(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C[NH2+]1 ZINC000627324146 484678771 /nfs/dbraw/zinc/67/87/71/484678771.db2.gz RCFMNFBMQYSJAW-GDBMZVCRSA-N 2 0 374.489 -0.294 20 0 FBADRP C[C@H]1CC[C@@H](NC(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C[NH2+]1 ZINC000627324147 484678493 /nfs/dbraw/zinc/67/84/93/484678493.db2.gz RCFMNFBMQYSJAW-GOEBONIOSA-N 2 0 374.489 -0.294 20 0 FBADRP C[C@H]1CC[C@H](NC(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C[NH2+]1 ZINC000627324148 484678578 /nfs/dbraw/zinc/67/85/78/484678578.db2.gz RCFMNFBMQYSJAW-HOCLYGCPSA-N 2 0 374.489 -0.294 20 0 FBADRP C[C@@H]1CC[C@H](NC(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C[NH2+]1 ZINC000627324149 484678998 /nfs/dbraw/zinc/67/89/98/484678998.db2.gz RCFMNFBMQYSJAW-ZBFHGGJFSA-N 2 0 374.489 -0.294 20 0 FBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000627324690 484679551 /nfs/dbraw/zinc/67/95/51/484679551.db2.gz JZGZMKYQOQHVPA-ARFHVFGLSA-N 2 0 353.511 -0.369 20 0 FBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000627324691 484680219 /nfs/dbraw/zinc/68/02/19/484680219.db2.gz JZGZMKYQOQHVPA-XHSDSOJGSA-N 2 0 353.511 -0.369 20 0 FBADRP CC(C)[C@@H](CNC(=O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)N1CC[NH+](C)CC1 ZINC000627324907 484680626 /nfs/dbraw/zinc/68/06/26/484680626.db2.gz SGFORTRVKMEKEE-BZUAXINKSA-N 2 0 353.511 -0.369 20 0 FBADRP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)N1CC[NH+](C)CC1 ZINC000627324908 484680130 /nfs/dbraw/zinc/68/01/30/484680130.db2.gz SGFORTRVKMEKEE-OAGGEKHMSA-N 2 0 353.511 -0.369 20 0 FBADRP CC(C)[C@@H](CNC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)N1CC[NH+](C)CC1 ZINC000627324909 484680184 /nfs/dbraw/zinc/68/01/84/484680184.db2.gz SGFORTRVKMEKEE-OWCLPIDISA-N 2 0 353.511 -0.369 20 0 FBADRP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)N1CC[NH+](C)CC1 ZINC000627324910 484679473 /nfs/dbraw/zinc/67/94/73/484679473.db2.gz SGFORTRVKMEKEE-PMPSAXMXSA-N 2 0 353.511 -0.369 20 0 FBADRP CC(C)[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2)N1CC[NH+](C)CC1 ZINC000627325033 484680469 /nfs/dbraw/zinc/68/04/69/484680469.db2.gz WNQIJWGZFBVWIO-CVEARBPZSA-N 2 0 365.522 -0.225 20 0 FBADRP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2)N1CC[NH+](C)CC1 ZINC000627325034 484680582 /nfs/dbraw/zinc/68/05/82/484680582.db2.gz WNQIJWGZFBVWIO-HOTGVXAUSA-N 2 0 365.522 -0.225 20 0 FBADRP CC(C)[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2)N1CC[NH+](C)CC1 ZINC000627325035 484679660 /nfs/dbraw/zinc/67/96/60/484679660.db2.gz WNQIJWGZFBVWIO-HZPDHXFCSA-N 2 0 365.522 -0.225 20 0 FBADRP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2)N1CC[NH+](C)CC1 ZINC000627325036 484679693 /nfs/dbraw/zinc/67/96/93/484679693.db2.gz WNQIJWGZFBVWIO-JKSUJKDBSA-N 2 0 365.522 -0.225 20 0 FBADRP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627325867 484681026 /nfs/dbraw/zinc/68/10/26/484681026.db2.gz WTDXGBIMHKCKJL-HNNXBMFYSA-N 2 0 364.446 -0.652 20 0 FBADRP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627325868 484681852 /nfs/dbraw/zinc/68/18/52/484681852.db2.gz WTDXGBIMHKCKJL-OAHLLOKOSA-N 2 0 364.446 -0.652 20 0 FBADRP O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627325979 484683048 /nfs/dbraw/zinc/68/30/48/484683048.db2.gz AUDORNJDQSNRBM-DLBZAZTESA-N 2 0 360.458 -0.128 20 0 FBADRP O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627325980 484683118 /nfs/dbraw/zinc/68/31/18/484683118.db2.gz AUDORNJDQSNRBM-IAGOWNOFSA-N 2 0 360.458 -0.128 20 0 FBADRP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627325981 484682574 /nfs/dbraw/zinc/68/25/74/484682574.db2.gz AUDORNJDQSNRBM-IRXDYDNUSA-N 2 0 360.458 -0.128 20 0 FBADRP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627325982 484683006 /nfs/dbraw/zinc/68/30/06/484683006.db2.gz AUDORNJDQSNRBM-SJORKVTESA-N 2 0 360.458 -0.128 20 0 FBADRP CC(C)CC[NH+]1CCC(CNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000627328950 484684605 /nfs/dbraw/zinc/68/46/05/484684605.db2.gz UOOSOLACUNPZRJ-INIZCTEOSA-N 2 0 354.495 -0.035 20 0 FBADRP CC(C)CC[NH+]1CCC(CNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000627328951 484683984 /nfs/dbraw/zinc/68/39/84/484683984.db2.gz UOOSOLACUNPZRJ-MRXNPFEDSA-N 2 0 354.495 -0.035 20 0 FBADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000627329411 484685622 /nfs/dbraw/zinc/68/56/22/484685622.db2.gz JLQYMWGIQYBFMV-CQSZACIVSA-N 2 0 367.494 -0.793 20 0 FBADRP CCN(CC[NH3+])C(=O)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000627329692 484686725 /nfs/dbraw/zinc/68/67/25/484686725.db2.gz RHFQGPOVDCUQNR-UHFFFAOYSA-N 2 0 369.510 -0.464 20 0 FBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000627331608 484692994 /nfs/dbraw/zinc/69/29/94/484692994.db2.gz CHGDPIJHQMPEOB-DZGCQCFKSA-N 2 0 360.462 -0.684 20 0 FBADRP C[C@@H]1CC[C@@H](NC(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)C[NH2+]1 ZINC000627332261 484694045 /nfs/dbraw/zinc/69/40/45/484694045.db2.gz VJZKUYPBJIHMPJ-GDBMZVCRSA-N 2 0 374.489 -0.294 20 0 FBADRP C[C@H]1CC[C@@H](NC(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)C[NH2+]1 ZINC000627332262 484694583 /nfs/dbraw/zinc/69/45/83/484694583.db2.gz VJZKUYPBJIHMPJ-GOEBONIOSA-N 2 0 374.489 -0.294 20 0 FBADRP C[C@H]1CC[C@H](NC(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)C[NH2+]1 ZINC000627332263 484694526 /nfs/dbraw/zinc/69/45/26/484694526.db2.gz VJZKUYPBJIHMPJ-HOCLYGCPSA-N 2 0 374.489 -0.294 20 0 FBADRP C[C@@H]1CC[C@H](NC(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)C[NH2+]1 ZINC000627332264 484694355 /nfs/dbraw/zinc/69/43/55/484694355.db2.gz VJZKUYPBJIHMPJ-ZBFHGGJFSA-N 2 0 374.489 -0.294 20 0 FBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000627332278 484694420 /nfs/dbraw/zinc/69/44/20/484694420.db2.gz VUPQPXCDGBSULW-JKSUJKDBSA-N 2 0 374.489 -0.294 20 0 FBADRP O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627332955 484697526 /nfs/dbraw/zinc/69/75/26/484697526.db2.gz ORIUQJIOLHQGEF-MSOLQXFVSA-N 2 0 374.485 -0.228 20 0 FBADRP O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627332956 484697059 /nfs/dbraw/zinc/69/70/59/484697059.db2.gz ORIUQJIOLHQGEF-QZTJIDSGSA-N 2 0 374.485 -0.228 20 0 FBADRP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627332957 484696935 /nfs/dbraw/zinc/69/69/35/484696935.db2.gz ORIUQJIOLHQGEF-ROUUACIJSA-N 2 0 374.485 -0.228 20 0 FBADRP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627332958 484697390 /nfs/dbraw/zinc/69/73/90/484697390.db2.gz ORIUQJIOLHQGEF-ZWKOTPCHSA-N 2 0 374.485 -0.228 20 0 FBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC1(C)C ZINC000627334105 484706967 /nfs/dbraw/zinc/70/69/67/484706967.db2.gz GJSYYJIXNWZPHR-KDURUIRLSA-N 2 0 365.522 -0.413 20 0 FBADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000627334241 484707074 /nfs/dbraw/zinc/70/70/74/484707074.db2.gz KNVWPJHSSOVHRK-HNNXBMFYSA-N 2 0 353.511 -0.415 20 0 FBADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000627334242 484706756 /nfs/dbraw/zinc/70/67/56/484706756.db2.gz KNVWPJHSSOVHRK-OAHLLOKOSA-N 2 0 353.511 -0.415 20 0 FBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)CC1(C)C ZINC000627334266 484706781 /nfs/dbraw/zinc/70/67/81/484706781.db2.gz LNTXNOBJTQTJET-AWEZNQCLSA-N 2 0 351.495 -0.471 20 0 FBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1(C)C ZINC000627334267 484705322 /nfs/dbraw/zinc/70/53/22/484705322.db2.gz LNTXNOBJTQTJET-CQSZACIVSA-N 2 0 351.495 -0.471 20 0 FBADRP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000627337105 484732158 /nfs/dbraw/zinc/73/21/58/484732158.db2.gz UBLFAVLZBALALQ-DLBZAZTESA-N 2 0 360.458 -0.128 20 0 FBADRP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000627337106 484732867 /nfs/dbraw/zinc/73/28/67/484732867.db2.gz UBLFAVLZBALALQ-IAGOWNOFSA-N 2 0 360.458 -0.128 20 0 FBADRP O=C(NC[C@H]1COCC[NH2+]1)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000627337107 484732034 /nfs/dbraw/zinc/73/20/34/484732034.db2.gz UBLFAVLZBALALQ-IRXDYDNUSA-N 2 0 360.458 -0.128 20 0 FBADRP O=C(NC[C@H]1COCC[NH2+]1)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000627337108 484731965 /nfs/dbraw/zinc/73/19/65/484731965.db2.gz UBLFAVLZBALALQ-SJORKVTESA-N 2 0 360.458 -0.128 20 0 FBADRP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000627338144 484734881 /nfs/dbraw/zinc/73/48/81/484734881.db2.gz WFMZTFQRZIFFFO-GOSISDBHSA-N 2 0 374.485 -0.086 20 0 FBADRP O=C(NC[C@H]1COCC[NH2+]1)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000627338145 484734946 /nfs/dbraw/zinc/73/49/46/484734946.db2.gz WFMZTFQRZIFFFO-SFHVURJKSA-N 2 0 374.485 -0.086 20 0 FBADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)c1 ZINC000627338316 484735430 /nfs/dbraw/zinc/73/54/30/484735430.db2.gz BKLHAMGFQCGEDM-OAHLLOKOSA-N 2 0 361.446 -0.928 20 0 FBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000627338415 484735634 /nfs/dbraw/zinc/73/56/34/484735634.db2.gz FHXVJMMYIIZERU-JKSUJKDBSA-N 2 0 374.489 -0.294 20 0 FBADRP CCN(CC[NH3+])C(=O)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000627338518 484734775 /nfs/dbraw/zinc/73/47/75/484734775.db2.gz IZCRSLKMFZJSDN-UHFFFAOYSA-N 2 0 363.462 -0.599 20 0 FBADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC1 ZINC000627338636 484734816 /nfs/dbraw/zinc/73/48/16/484734816.db2.gz LVTNVOGNDOJOCZ-KDURUIRLSA-N 2 0 365.522 -0.413 20 0 FBADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000627338772 484735072 /nfs/dbraw/zinc/73/50/72/484735072.db2.gz PYUAJWZUTLAHMX-INIZCTEOSA-N 2 0 353.511 -0.415 20 0 FBADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000627338773 484734986 /nfs/dbraw/zinc/73/49/86/484734986.db2.gz PYUAJWZUTLAHMX-MRXNPFEDSA-N 2 0 353.511 -0.415 20 0 FBADRP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)cc1 ZINC000627338776 484735139 /nfs/dbraw/zinc/73/51/39/484735139.db2.gz QBGQCVCJMCGAPE-HNNXBMFYSA-N 2 0 364.446 -0.652 20 0 FBADRP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)cc1 ZINC000627338777 484735236 /nfs/dbraw/zinc/73/52/36/484735236.db2.gz QBGQCVCJMCGAPE-OAHLLOKOSA-N 2 0 364.446 -0.652 20 0 FBADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000627338808 484735018 /nfs/dbraw/zinc/73/50/18/484735018.db2.gz QSVIYCFFCYQSGF-HNNXBMFYSA-N 2 0 351.495 -0.471 20 0 FBADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000627338809 484735379 /nfs/dbraw/zinc/73/53/79/484735379.db2.gz QSVIYCFFCYQSGF-OAHLLOKOSA-N 2 0 351.495 -0.471 20 0 FBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000627338919 484735512 /nfs/dbraw/zinc/73/55/12/484735512.db2.gz UHYAMJHJFJKODV-DZGCQCFKSA-N 2 0 360.462 -0.684 20 0 FBADRP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)c1 ZINC000627338987 484736869 /nfs/dbraw/zinc/73/68/69/484736869.db2.gz WCTIGHSCAAQBJZ-HNNXBMFYSA-N 2 0 364.446 -0.652 20 0 FBADRP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)c1 ZINC000627338988 484736819 /nfs/dbraw/zinc/73/68/19/484736819.db2.gz WCTIGHSCAAQBJZ-OAHLLOKOSA-N 2 0 364.446 -0.652 20 0 FBADRP C[C@@H]1CC[C@@H](NC(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C[NH2+]1 ZINC000627339102 484736773 /nfs/dbraw/zinc/73/67/73/484736773.db2.gz ZDGNUMSFUMTKMI-GDBMZVCRSA-N 2 0 374.489 -0.294 20 0 FBADRP C[C@H]1CC[C@@H](NC(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C[NH2+]1 ZINC000627339103 484736540 /nfs/dbraw/zinc/73/65/40/484736540.db2.gz ZDGNUMSFUMTKMI-GOEBONIOSA-N 2 0 374.489 -0.294 20 0 FBADRP C[C@H]1CC[C@H](NC(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C[NH2+]1 ZINC000627339104 484737283 /nfs/dbraw/zinc/73/72/83/484737283.db2.gz ZDGNUMSFUMTKMI-HOCLYGCPSA-N 2 0 374.489 -0.294 20 0 FBADRP C[C@@H]1CC[C@H](NC(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C[NH2+]1 ZINC000627339105 484736413 /nfs/dbraw/zinc/73/64/13/484736413.db2.gz ZDGNUMSFUMTKMI-ZBFHGGJFSA-N 2 0 374.489 -0.294 20 0 FBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000627342472 484744683 /nfs/dbraw/zinc/74/46/83/484744683.db2.gz HCDCCUIGNLTAFJ-CWRNSKLLSA-N 2 0 352.479 -0.140 20 0 FBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000627342473 484744795 /nfs/dbraw/zinc/74/47/95/484744795.db2.gz HCDCCUIGNLTAFJ-VNQPRFMTSA-N 2 0 352.479 -0.140 20 0 FBADRP C[C@@H]1CC[C@H](NC(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C[NH2+]1 ZINC000627342900 484744139 /nfs/dbraw/zinc/74/41/39/484744139.db2.gz SJBBLHSVDDCRLF-FMKPAKJESA-N 2 0 352.479 -0.140 20 0 FBADRP C[C@@H]1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C[NH2+]1 ZINC000627342901 484744587 /nfs/dbraw/zinc/74/45/87/484744587.db2.gz SJBBLHSVDDCRLF-IIAWOOMASA-N 2 0 352.479 -0.140 20 0 FBADRP C[C@@H]1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C[NH2+]1 ZINC000627342902 484744912 /nfs/dbraw/zinc/74/49/12/484744912.db2.gz SJBBLHSVDDCRLF-IJEWVQPXSA-N 2 0 352.479 -0.140 20 0 FBADRP C[C@@H]1CC[C@H](NC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C[NH2+]1 ZINC000627342903 484745160 /nfs/dbraw/zinc/74/51/60/484745160.db2.gz SJBBLHSVDDCRLF-YCPHGPKFSA-N 2 0 352.479 -0.140 20 0 FBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000627345078 484750716 /nfs/dbraw/zinc/75/07/16/484750716.db2.gz AMAHIAUHIDEJBL-DLBZAZTESA-N 2 0 365.522 -0.082 20 0 FBADRP C[C@@H]1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)C[NH2+]1 ZINC000627345140 484751317 /nfs/dbraw/zinc/75/13/17/484751317.db2.gz CPFKISXNUPITNG-GDBMZVCRSA-N 2 0 365.522 -0.082 20 0 FBADRP C[C@H]1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)C[NH2+]1 ZINC000627345141 484751108 /nfs/dbraw/zinc/75/11/08/484751108.db2.gz CPFKISXNUPITNG-GOEBONIOSA-N 2 0 365.522 -0.082 20 0 FBADRP C[C@H]1CC[C@H](NC(=O)C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)C[NH2+]1 ZINC000627345142 484750840 /nfs/dbraw/zinc/75/08/40/484750840.db2.gz CPFKISXNUPITNG-HOCLYGCPSA-N 2 0 365.522 -0.082 20 0 FBADRP C[C@@H]1CC[C@H](NC(=O)C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)C[NH2+]1 ZINC000627345143 484750864 /nfs/dbraw/zinc/75/08/64/484750864.db2.gz CPFKISXNUPITNG-ZBFHGGJFSA-N 2 0 365.522 -0.082 20 0 FBADRP CCN(CC[NH3+])C(=O)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000627350047 484766997 /nfs/dbraw/zinc/76/69/97/484766997.db2.gz HIWYRWBGLMRQLY-UHFFFAOYSA-N 2 0 362.478 -0.353 20 0 FBADRP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CC[NH2+]C3)cn2)CC1 ZINC000627350069 484767613 /nfs/dbraw/zinc/76/76/13/484767613.db2.gz IEODBRLNDHXENH-OAHLLOKOSA-N 2 0 360.462 -0.682 20 0 FBADRP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CC[NH2+][C@H]3C)cn2)CC1 ZINC000627350176 484766899 /nfs/dbraw/zinc/76/68/99/484766899.db2.gz LGYZNXYIHHLMLC-GOEBONIOSA-N 2 0 374.489 -0.294 20 0 FBADRP CC(C)[C@H](CNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)[NH+]1CCC(C)CC1 ZINC000627351264 484770114 /nfs/dbraw/zinc/77/01/14/484770114.db2.gz NJJOKDVDJMOMNH-CVEARBPZSA-N 2 0 354.495 -0.036 20 0 FBADRP CC(C)[C@H](CNC(=O)C(=O)NC[C@H]1COCC[NH2+]1)[NH+]1CCC(C)CC1 ZINC000627351265 484770528 /nfs/dbraw/zinc/77/05/28/484770528.db2.gz NJJOKDVDJMOMNH-HOTGVXAUSA-N 2 0 354.495 -0.036 20 0 FBADRP CC(C)[C@@H](CNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)[NH+]1CCC(C)CC1 ZINC000627351266 484770440 /nfs/dbraw/zinc/77/04/40/484770440.db2.gz NJJOKDVDJMOMNH-HZPDHXFCSA-N 2 0 354.495 -0.036 20 0 FBADRP CC(C)[C@@H](CNC(=O)C(=O)NC[C@H]1COCC[NH2+]1)[NH+]1CCC(C)CC1 ZINC000627351267 484770649 /nfs/dbraw/zinc/77/06/49/484770649.db2.gz NJJOKDVDJMOMNH-JKSUJKDBSA-N 2 0 354.495 -0.036 20 0 FBADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000627352058 484773223 /nfs/dbraw/zinc/77/32/23/484773223.db2.gz KOZPNQMKOSTOTF-CABCVRRESA-N 2 0 367.494 -0.854 20 0 FBADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000627352059 484773054 /nfs/dbraw/zinc/77/30/54/484773054.db2.gz KOZPNQMKOSTOTF-GJZGRUSLSA-N 2 0 367.494 -0.854 20 0 FBADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000627352060 484773488 /nfs/dbraw/zinc/77/34/88/484773488.db2.gz KOZPNQMKOSTOTF-HUUCEWRRSA-N 2 0 367.494 -0.854 20 0 FBADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000627352061 484772838 /nfs/dbraw/zinc/77/28/38/484772838.db2.gz KOZPNQMKOSTOTF-LSDHHAIUSA-N 2 0 367.494 -0.854 20 0 FBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000627352415 484774397 /nfs/dbraw/zinc/77/43/97/484774397.db2.gz VUQCJVCZMDXHRO-KBPBESRZSA-N 2 0 365.478 -0.909 20 0 FBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000627352416 484774284 /nfs/dbraw/zinc/77/42/84/484774284.db2.gz VUQCJVCZMDXHRO-KGLIPLIRSA-N 2 0 365.478 -0.909 20 0 FBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000627352417 484775431 /nfs/dbraw/zinc/77/54/31/484775431.db2.gz VUQCJVCZMDXHRO-UONOGXRCSA-N 2 0 365.478 -0.909 20 0 FBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000627352418 484774706 /nfs/dbraw/zinc/77/47/06/484774706.db2.gz VUQCJVCZMDXHRO-ZIAGYGMSSA-N 2 0 365.478 -0.909 20 0 FBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627352752 484777458 /nfs/dbraw/zinc/77/74/58/484777458.db2.gz HWCCMYSFYGSQLW-OAHLLOKOSA-N 3 0 360.462 -0.812 20 0 FBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000627352760 484777418 /nfs/dbraw/zinc/77/74/18/484777418.db2.gz IECZULHVWTYEGV-DOTOQJQBSA-N 3 0 374.489 -0.424 20 0 FBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000627353089 484776406 /nfs/dbraw/zinc/77/64/06/484776406.db2.gz RLEKTPUVKAKMHJ-NEPJUHHUSA-N 2 0 368.400 -0.334 20 0 FBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000627353090 484776758 /nfs/dbraw/zinc/77/67/58/484776758.db2.gz RLEKTPUVKAKMHJ-NWDGAFQWSA-N 2 0 368.400 -0.334 20 0 FBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000627353091 484775956 /nfs/dbraw/zinc/77/59/56/484775956.db2.gz RLEKTPUVKAKMHJ-RYUDHWBXSA-N 2 0 368.400 -0.334 20 0 FBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000627353092 484776604 /nfs/dbraw/zinc/77/66/04/484776604.db2.gz RLEKTPUVKAKMHJ-VXGBXAGGSA-N 2 0 368.400 -0.334 20 0 FBADRP CCN(CC[NH3+])C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000627353224 484777823 /nfs/dbraw/zinc/77/78/23/484777823.db2.gz WHSQIPNOUBTSSM-UHFFFAOYSA-N 3 0 362.478 -0.483 20 0 FBADRP C[NH2+]CCOCCNC(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000627353808 484835058 /nfs/dbraw/zinc/83/50/58/484835058.db2.gz LEVOBFCDKSNPEO-UHFFFAOYSA-N 2 0 362.474 -0.446 20 0 FBADRP C[NH+](C)C1(CNC(=O)C(=O)NCC2([NH3+])CCOCC2)Cc2ccccc2C1 ZINC000627354033 484839870 /nfs/dbraw/zinc/83/98/70/484839870.db2.gz QGYCHIREZVVHLF-UHFFFAOYSA-N 2 0 374.485 -0.174 20 0 FBADRP C[NH+](C)C1(CNC(=O)C(=O)NCCOCCC[NH3+])Cc2ccccc2C1 ZINC000627354238 484839445 /nfs/dbraw/zinc/83/94/45/484839445.db2.gz WEPFNPJBBQUXCC-UHFFFAOYSA-N 2 0 362.474 -0.317 20 0 FBADRP CN(CCOCC[NH3+])C(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000627354254 484839484 /nfs/dbraw/zinc/83/94/84/484839484.db2.gz WXMQELJKBSXCAS-UHFFFAOYSA-N 2 0 362.474 -0.365 20 0 FBADRP C[NH+](C)C1(CNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)Cc2ccccc2C1 ZINC000627354346 484851307 /nfs/dbraw/zinc/85/13/07/484851307.db2.gz ZKUBOXIISSRLJJ-INIZCTEOSA-N 2 0 360.458 -0.694 20 0 FBADRP C[NH+](C)C1(CNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)Cc2ccccc2C1 ZINC000627354347 484850979 /nfs/dbraw/zinc/85/09/79/484850979.db2.gz ZKUBOXIISSRLJJ-MRXNPFEDSA-N 2 0 360.458 -0.694 20 0 FBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000627357596 484882096 /nfs/dbraw/zinc/88/20/96/484882096.db2.gz KKARJPRUUMZJSU-CGTJXYLNSA-N 2 0 373.501 -0.042 20 0 FBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000627357597 484882258 /nfs/dbraw/zinc/88/22/58/484882258.db2.gz KKARJPRUUMZJSU-JQHSSLGASA-N 2 0 373.501 -0.042 20 0 FBADRP CN(CCOCC[NH3+])C(=O)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000627357622 483867785 /nfs/dbraw/zinc/86/77/85/483867785.db2.gz LDTYRGLASZXGRY-HNNXBMFYSA-N 2 0 354.426 -0.022 20 0 FBADRP CN(CCOCC[NH3+])C(=O)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000627357623 483867833 /nfs/dbraw/zinc/86/78/33/483867833.db2.gz LDTYRGLASZXGRY-OAHLLOKOSA-N 2 0 354.426 -0.022 20 0 FBADRP CN(CCOCC[NH3+])C(=O)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000627357720 483867739 /nfs/dbraw/zinc/86/77/39/483867739.db2.gz OAHYHGRFXBCLOD-UHFFFAOYSA-N 2 0 362.474 -0.015 20 0 FBADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627357915 484883371 /nfs/dbraw/zinc/88/33/71/484883371.db2.gz UVKUNQANMOROGF-KRWDZBQOSA-N 2 0 360.458 -0.344 20 0 FBADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627357916 484883633 /nfs/dbraw/zinc/88/36/33/484883633.db2.gz UVKUNQANMOROGF-QGZVFWFLSA-N 2 0 360.458 -0.344 20 0 FBADRP CCN(CC[NH3+])C(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000627357977 484884159 /nfs/dbraw/zinc/88/41/59/484884159.db2.gz WNLKBIUXLJMCDC-KRWDZBQOSA-N 2 0 361.490 -0.102 20 0 FBADRP CCN(CC[NH3+])C(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000627357978 484884112 /nfs/dbraw/zinc/88/41/12/484884112.db2.gz WNLKBIUXLJMCDC-QGZVFWFLSA-N 2 0 361.490 -0.102 20 0 FBADRP C[NH+]1CCN(C[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)c2ccccc2)CC1 ZINC000627358048 484884234 /nfs/dbraw/zinc/88/42/34/484884234.db2.gz ZAVVJXTZSPAKGJ-IAGOWNOFSA-N 2 0 359.474 -0.431 20 0 FBADRP C[NH+]1CCN(C[C@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)c2ccccc2)CC1 ZINC000627358049 484883555 /nfs/dbraw/zinc/88/35/55/484883555.db2.gz ZAVVJXTZSPAKGJ-SJORKVTESA-N 2 0 359.474 -0.431 20 0 FBADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)NCCCC[NH+]1CCOCC1)C2 ZINC000627363806 484883681 /nfs/dbraw/zinc/88/36/81/484883681.db2.gz XWTGJQJWMLQGJZ-HDICACEKSA-N 2 0 352.479 -0.327 20 0 FBADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627363956 484883755 /nfs/dbraw/zinc/88/37/55/484883755.db2.gz BVNRAXYFDPEMQG-CVEARBPZSA-N 2 0 353.511 -0.223 20 0 FBADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000627363957 484884089 /nfs/dbraw/zinc/88/40/89/484884089.db2.gz BVNRAXYFDPEMQG-HOTGVXAUSA-N 2 0 353.511 -0.223 20 0 FBADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627363958 484883045 /nfs/dbraw/zinc/88/30/45/484883045.db2.gz BVNRAXYFDPEMQG-HZPDHXFCSA-N 2 0 353.511 -0.223 20 0 FBADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000627363959 484883899 /nfs/dbraw/zinc/88/38/99/484883899.db2.gz BVNRAXYFDPEMQG-JKSUJKDBSA-N 2 0 353.511 -0.223 20 0 FBADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000627364044 484883186 /nfs/dbraw/zinc/88/31/86/484883186.db2.gz FRXKTXZBMSQZBQ-INIZCTEOSA-N 2 0 365.522 -0.079 20 0 FBADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000627364045 484883920 /nfs/dbraw/zinc/88/39/20/484883920.db2.gz FRXKTXZBMSQZBQ-MRXNPFEDSA-N 2 0 365.522 -0.079 20 0 FBADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N2CC[NH2+]C[C@H]2C(C)C)CC1 ZINC000627364135 484884062 /nfs/dbraw/zinc/88/40/62/484884062.db2.gz IBQFYDCCTVPAJT-KRWDZBQOSA-N 2 0 367.538 -0.023 20 0 FBADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N2CC[NH2+]C[C@@H]2C(C)C)CC1 ZINC000627364136 484883722 /nfs/dbraw/zinc/88/37/22/484883722.db2.gz IBQFYDCCTVPAJT-QGZVFWFLSA-N 2 0 367.538 -0.023 20 0 FBADRP CN1CC[NH+](CCCCNC(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC1 ZINC000627364169 484883473 /nfs/dbraw/zinc/88/34/73/484883473.db2.gz ISZLNGAJNGASOI-KDURUIRLSA-N 2 0 365.522 -0.412 20 0 FBADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000627364653 484885629 /nfs/dbraw/zinc/88/56/29/484885629.db2.gz UOIQXKJHOVRELC-INIZCTEOSA-N 2 0 353.511 -0.413 20 0 FBADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000627364654 484885287 /nfs/dbraw/zinc/88/52/87/484885287.db2.gz UOIQXKJHOVRELC-MRXNPFEDSA-N 2 0 353.511 -0.413 20 0 FBADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000627364710 484885530 /nfs/dbraw/zinc/88/55/30/484885530.db2.gz VSRJWCXSKJVTBC-BZUAXINKSA-N 2 0 354.495 -0.035 20 0 FBADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627364711 484885083 /nfs/dbraw/zinc/88/50/83/484885083.db2.gz VSRJWCXSKJVTBC-OAGGEKHMSA-N 2 0 354.495 -0.035 20 0 FBADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000627364712 484885012 /nfs/dbraw/zinc/88/50/12/484885012.db2.gz VSRJWCXSKJVTBC-OWCLPIDISA-N 2 0 354.495 -0.035 20 0 FBADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627364713 484885180 /nfs/dbraw/zinc/88/51/80/484885180.db2.gz VSRJWCXSKJVTBC-XHSDSOJGSA-N 2 0 354.495 -0.035 20 0 FBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCCC[NH+]1CCN(CC)CC1 ZINC000627364748 484062844 /nfs/dbraw/zinc/06/28/44/484062844.db2.gz WLRRYRUGZOMGNJ-JKSUJKDBSA-N 2 0 353.511 -0.223 20 0 FBADRP C[C@@H]1CC[C@H](NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C[NH2+]1 ZINC000627365986 484884944 /nfs/dbraw/zinc/88/49/44/484884944.db2.gz DTTCAEKDQTYQBQ-ILXRZTDVSA-N 2 0 367.494 -0.698 20 0 FBADRP C[C@@H]1CC[C@@H](NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C[NH2+]1 ZINC000627365987 484885356 /nfs/dbraw/zinc/88/53/56/484885356.db2.gz DTTCAEKDQTYQBQ-KFWWJZLASA-N 2 0 367.494 -0.698 20 0 FBADRP C[C@@H]1CC[C@H](NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C[NH2+]1 ZINC000627365988 484885464 /nfs/dbraw/zinc/88/54/64/484885464.db2.gz DTTCAEKDQTYQBQ-QLFBSQMISA-N 2 0 367.494 -0.698 20 0 FBADRP C[C@@H]1CC[C@@H](NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C[NH2+]1 ZINC000627365989 484885613 /nfs/dbraw/zinc/88/56/13/484885613.db2.gz DTTCAEKDQTYQBQ-RBSFLKMASA-N 2 0 367.494 -0.698 20 0 FBADRP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627366303 484885390 /nfs/dbraw/zinc/88/53/90/484885390.db2.gz OBPNYGILYVHLJW-DLBZAZTESA-N 2 0 360.458 -0.271 20 0 FBADRP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627366304 484885423 /nfs/dbraw/zinc/88/54/23/484885423.db2.gz OBPNYGILYVHLJW-IAGOWNOFSA-N 2 0 360.458 -0.271 20 0 FBADRP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627366305 484884907 /nfs/dbraw/zinc/88/49/07/484884907.db2.gz OBPNYGILYVHLJW-IRXDYDNUSA-N 2 0 360.458 -0.271 20 0 FBADRP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627366306 484885650 /nfs/dbraw/zinc/88/56/50/484885650.db2.gz OBPNYGILYVHLJW-SJORKVTESA-N 2 0 360.458 -0.271 20 0 FBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000627366593 484885504 /nfs/dbraw/zinc/88/55/04/484885504.db2.gz VWOJMNQUMKGAQR-RRFJBIMHSA-N 2 0 367.494 -0.698 20 0 FBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000627366594 484884987 /nfs/dbraw/zinc/88/49/87/484884987.db2.gz VWOJMNQUMKGAQR-ZNMIVQPWSA-N 2 0 367.494 -0.698 20 0 FBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000627366741 484885115 /nfs/dbraw/zinc/88/51/15/484885115.db2.gz AMWJXFGVNZNEHP-JCGIZDLHSA-N 2 0 352.479 -0.329 20 0 FBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000627366742 484375478 /nfs/dbraw/zinc/37/54/78/484375478.db2.gz AMWJXFGVNZNEHP-OLMNPRSZSA-N 2 0 352.479 -0.329 20 0 FBADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627367392 484885136 /nfs/dbraw/zinc/88/51/36/484885136.db2.gz SIWKHJMVQRRRJE-DJIMGWMZSA-N 2 0 360.458 -0.272 20 0 FBADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627367393 484885545 /nfs/dbraw/zinc/88/55/45/484885545.db2.gz SIWKHJMVQRRRJE-HYVNUMGLSA-N 2 0 360.458 -0.272 20 0 FBADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627367394 484884748 /nfs/dbraw/zinc/88/47/48/484884748.db2.gz SIWKHJMVQRRRJE-OIISXLGYSA-N 2 0 360.458 -0.272 20 0 FBADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627367395 484885255 /nfs/dbraw/zinc/88/52/55/484885255.db2.gz SIWKHJMVQRRRJE-PVAVHDDUSA-N 2 0 360.458 -0.272 20 0 FBADRP C[NH2+]CCOCCNC(=O)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000627367428 484884717 /nfs/dbraw/zinc/88/47/17/484884717.db2.gz UCOKOSVDGDFEFA-DOTOQJQBSA-N 2 0 362.474 -0.025 20 0 FBADRP C[NH2+]CCOCCNC(=O)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000627367429 484885046 /nfs/dbraw/zinc/88/50/46/484885046.db2.gz UCOKOSVDGDFEFA-NVXWUHKLSA-N 2 0 362.474 -0.025 20 0 FBADRP C[NH2+]CCOCCNC(=O)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000627367430 484885723 /nfs/dbraw/zinc/88/57/23/484885723.db2.gz UCOKOSVDGDFEFA-RDJZCZTQSA-N 2 0 362.474 -0.025 20 0 FBADRP C[NH2+]CCOCCNC(=O)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000627367431 484885313 /nfs/dbraw/zinc/88/53/13/484885313.db2.gz UCOKOSVDGDFEFA-WBVHZDCISA-N 2 0 362.474 -0.025 20 0 FBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CCSC1 ZINC000627370597 483461921 /nfs/dbraw/zinc/46/19/21/483461921.db2.gz FPQJQFXMQMEBNK-BBWFWOEESA-N 2 0 354.520 -0.002 20 0 FBADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CCSC1 ZINC000627370598 483461977 /nfs/dbraw/zinc/46/19/77/483461977.db2.gz FPQJQFXMQMEBNK-IXDOHACOSA-N 2 0 354.520 -0.002 20 0 FBADRP O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627373175 484887055 /nfs/dbraw/zinc/88/70/55/484887055.db2.gz JVEWLLKSHPIPBR-MRXNPFEDSA-N 2 0 360.458 -0.262 20 0 FBADRP C[NH2+]CCOCCNC(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000627381072 483861531 /nfs/dbraw/zinc/86/15/31/483861531.db2.gz HSOKZYZVOKHLEZ-UHFFFAOYSA-N 2 0 363.462 -0.234 20 0 FBADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627381157 484888655 /nfs/dbraw/zinc/88/86/55/484888655.db2.gz JUDXJYLPMRAJJO-HNNXBMFYSA-N 2 0 361.446 -0.481 20 0 FBADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627381158 484889047 /nfs/dbraw/zinc/88/90/47/484889047.db2.gz JUDXJYLPMRAJJO-OAHLLOKOSA-N 2 0 361.446 -0.481 20 0 FBADRP [NH3+]CCCOCCNC(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000627381178 484888176 /nfs/dbraw/zinc/88/81/76/484888176.db2.gz KOSYDSDBDNFEJV-UHFFFAOYSA-N 2 0 363.462 -0.104 20 0 FBADRP CN(CCOCC[NH3+])C(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000627381410 484888703 /nfs/dbraw/zinc/88/87/03/484888703.db2.gz QUYTUKPTNGSAIA-UHFFFAOYSA-N 2 0 363.462 -0.152 20 0 FBADRP C[NH2+]CCOCCNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000627384547 484890049 /nfs/dbraw/zinc/89/00/49/484890049.db2.gz IKASVRLPKUAHGO-UHFFFAOYSA-N 2 0 372.535 -0.184 20 0 FBADRP [NH3+]CCCOCCNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000627385416 484889649 /nfs/dbraw/zinc/88/96/49/484889649.db2.gz KGWQZHRVWVSWTJ-UHFFFAOYSA-N 2 0 356.467 -0.771 20 0 FBADRP O=C(NC[C@H]1COCC[NH2+]1)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000627385433 484890069 /nfs/dbraw/zinc/89/00/69/484890069.db2.gz KZHQZXGJAJNRSY-AWEZNQCLSA-N 2 0 370.519 -0.431 20 0 FBADRP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000627385434 484889444 /nfs/dbraw/zinc/88/94/44/484889444.db2.gz KZHQZXGJAJNRSY-CQSZACIVSA-N 2 0 370.519 -0.431 20 0 FBADRP C[NH2+]CCOCCNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000627385512 484889749 /nfs/dbraw/zinc/88/97/49/484889749.db2.gz NFBWSUSCLWWOEH-UHFFFAOYSA-N 2 0 356.467 -0.900 20 0 FBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000627385536 484889372 /nfs/dbraw/zinc/88/93/72/484889372.db2.gz NRAHATWPMXBQSV-UHFFFAOYSA-N 2 0 370.494 -0.558 20 0 FBADRP CN(CCOCC[NH3+])C(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000627385542 484889858 /nfs/dbraw/zinc/88/98/58/484889858.db2.gz NWWUTWVYRLNIQB-UHFFFAOYSA-N 2 0 372.535 -0.102 20 0 FBADRP CN(CCOCC[NH3+])C(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000627385550 484889824 /nfs/dbraw/zinc/88/98/24/484889824.db2.gz OIWDXHFFAGCCFI-UHFFFAOYSA-N 2 0 356.467 -0.819 20 0 FBADRP [NH3+]CCCOCCNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000627385878 484890173 /nfs/dbraw/zinc/89/01/73/484890173.db2.gz ZHVODKRZRWCPHJ-UHFFFAOYSA-N 2 0 372.535 -0.054 20 0 FBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C[N@@H+]1Cc1ccccc1 ZINC000627388365 484891930 /nfs/dbraw/zinc/89/19/30/484891930.db2.gz SJMNRMCOFARIAH-DJIMGWMZSA-N 2 0 360.458 -0.130 20 0 FBADRP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C[N@@H+]1Cc1ccccc1 ZINC000627388366 484891425 /nfs/dbraw/zinc/89/14/25/484891425.db2.gz SJMNRMCOFARIAH-HYVNUMGLSA-N 2 0 360.458 -0.130 20 0 FBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2COCC[NH2+]2)C[N@@H+]1Cc1ccccc1 ZINC000627388367 484891794 /nfs/dbraw/zinc/89/17/94/484891794.db2.gz SJMNRMCOFARIAH-OIISXLGYSA-N 2 0 360.458 -0.130 20 0 FBADRP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2COCC[NH2+]2)C[N@@H+]1Cc1ccccc1 ZINC000627388368 484891346 /nfs/dbraw/zinc/89/13/46/484891346.db2.gz SJMNRMCOFARIAH-PVAVHDDUSA-N 2 0 360.458 -0.130 20 0 FBADRP O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627388484 484891031 /nfs/dbraw/zinc/89/10/31/484891031.db2.gz WWZPFLUSOGMCAX-MRXNPFEDSA-N 2 0 360.458 -0.262 20 0 FBADRP O=C(NC[C@H]1COCC[NH2+]1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000627390622 484891079 /nfs/dbraw/zinc/89/10/79/484891079.db2.gz RKRPHUUZXXQXFJ-KRWDZBQOSA-N 2 0 360.458 -0.128 20 0 FBADRP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000627390623 484891583 /nfs/dbraw/zinc/89/15/83/484891583.db2.gz RKRPHUUZXXQXFJ-QGZVFWFLSA-N 2 0 360.458 -0.128 20 0 FBADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000627392772 484892565 /nfs/dbraw/zinc/89/25/65/484892565.db2.gz FDUKTSATAPBMIG-CYBMUJFWSA-N 2 0 356.467 -0.903 20 0 FBADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000627392773 484892991 /nfs/dbraw/zinc/89/29/91/484892991.db2.gz FDUKTSATAPBMIG-ZDUSSCGKSA-N 2 0 356.467 -0.903 20 0 FBADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N(C)CCOCC[NH3+])CC1 ZINC000627392829 485031972 /nfs/dbraw/zinc/03/19/72/485031972.db2.gz GVIVCIIBUNDUIB-UHFFFAOYSA-N 2 0 358.483 -0.574 20 0 FBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000627393738 484893260 /nfs/dbraw/zinc/89/32/60/484893260.db2.gz JDNINWQTRBNZHG-NEPJUHHUSA-N 2 0 368.400 -0.334 20 0 FBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000627393739 484893078 /nfs/dbraw/zinc/89/30/78/484893078.db2.gz JDNINWQTRBNZHG-NWDGAFQWSA-N 2 0 368.400 -0.334 20 0 FBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000627393740 484893104 /nfs/dbraw/zinc/89/31/04/484893104.db2.gz JDNINWQTRBNZHG-RYUDHWBXSA-N 2 0 368.400 -0.334 20 0 FBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000627393741 484893156 /nfs/dbraw/zinc/89/31/56/484893156.db2.gz JDNINWQTRBNZHG-VXGBXAGGSA-N 2 0 368.400 -0.334 20 0 FBADRP C[N@H+](CCNC(=O)C(=O)NCC1([NH3+])CCOCC1)Cc1ccc(F)cc1 ZINC000627393901 484893055 /nfs/dbraw/zinc/89/30/55/484893055.db2.gz PMNKQJLGBSBMSP-UHFFFAOYSA-N 2 0 366.437 -0.002 20 0 FBADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000627398083 484894300 /nfs/dbraw/zinc/89/43/00/484894300.db2.gz CMRIDYLEHUHMQK-CVEARBPZSA-N 2 0 353.511 -0.558 20 0 FBADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000627398084 484893770 /nfs/dbraw/zinc/89/37/70/484893770.db2.gz CMRIDYLEHUHMQK-HOTGVXAUSA-N 2 0 353.511 -0.558 20 0 FBADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000627398085 484894044 /nfs/dbraw/zinc/89/40/44/484894044.db2.gz CMRIDYLEHUHMQK-HZPDHXFCSA-N 2 0 353.511 -0.558 20 0 FBADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000627398086 484894670 /nfs/dbraw/zinc/89/46/70/484894670.db2.gz CMRIDYLEHUHMQK-JKSUJKDBSA-N 2 0 353.511 -0.558 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627398173 484893747 /nfs/dbraw/zinc/89/37/47/484893747.db2.gz GFAFPMHNOBQWRL-BZUAXINKSA-N 2 0 353.511 -0.367 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627398174 484078161 /nfs/dbraw/zinc/07/81/61/484078161.db2.gz GFAFPMHNOBQWRL-OAGGEKHMSA-N 2 0 353.511 -0.367 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000627398175 484078074 /nfs/dbraw/zinc/07/80/74/484078074.db2.gz GFAFPMHNOBQWRL-OWCLPIDISA-N 2 0 353.511 -0.367 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000627398176 484078334 /nfs/dbraw/zinc/07/83/34/484078334.db2.gz GFAFPMHNOBQWRL-PMPSAXMXSA-N 2 0 353.511 -0.367 20 0 FBADRP C[C@H](CNC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)C[NH+]1CCN(C)CC1 ZINC000627398468 484131134 /nfs/dbraw/zinc/13/11/34/484131134.db2.gz NSSNDCLKFKWZNO-LZQZEXGQSA-N 2 0 365.522 -0.556 20 0 FBADRP C[C@@H](CNC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)C[NH+]1CCN(C)CC1 ZINC000627398469 484132169 /nfs/dbraw/zinc/13/21/69/484132169.db2.gz NSSNDCLKFKWZNO-ZYSHUDEJSA-N 2 0 365.522 -0.556 20 0 FBADRP C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2)C[NH+]1CCN(C)CC1 ZINC000627398654 484894934 /nfs/dbraw/zinc/89/49/34/484894934.db2.gz SWOFMKOFFFFQTL-CABCVRRESA-N 2 0 351.495 -0.613 20 0 FBADRP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2)C[NH+]1CCN(C)CC1 ZINC000627398655 484894416 /nfs/dbraw/zinc/89/44/16/484894416.db2.gz SWOFMKOFFFFQTL-GJZGRUSLSA-N 2 0 351.495 -0.613 20 0 FBADRP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2)C[NH+]1CCN(C)CC1 ZINC000627398656 484893987 /nfs/dbraw/zinc/89/39/87/484893987.db2.gz SWOFMKOFFFFQTL-HUUCEWRRSA-N 2 0 351.495 -0.613 20 0 FBADRP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2)C[NH+]1CCN(C)CC1 ZINC000627398657 484137496 /nfs/dbraw/zinc/13/74/96/484137496.db2.gz SWOFMKOFFFFQTL-LSDHHAIUSA-N 2 0 351.495 -0.613 20 0 FBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(CC)CC1 ZINC000627398713 484893925 /nfs/dbraw/zinc/89/39/25/484893925.db2.gz VAJUJQBZTAKFTI-HRCADAONSA-N 2 0 353.511 -0.367 20 0 FBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC000627398714 484894212 /nfs/dbraw/zinc/89/42/12/484894212.db2.gz VAJUJQBZTAKFTI-OWCLPIDISA-N 2 0 353.511 -0.367 20 0 FBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CC[NH2+]C[C@@H]2C(C)C)CC1 ZINC000627398777 484894356 /nfs/dbraw/zinc/89/43/56/484894356.db2.gz WNKJXRFOCMWDHP-DLBZAZTESA-N 2 0 367.538 -0.167 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CC[NH2+]C[C@@H]2C(C)C)CC1 ZINC000627398778 484894627 /nfs/dbraw/zinc/89/46/27/484894627.db2.gz WNKJXRFOCMWDHP-IAGOWNOFSA-N 2 0 367.538 -0.167 20 0 FBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CC[NH2+]C[C@H]2C(C)C)CC1 ZINC000627398779 484894398 /nfs/dbraw/zinc/89/43/98/484894398.db2.gz WNKJXRFOCMWDHP-IRXDYDNUSA-N 2 0 367.538 -0.167 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CC[NH2+]C[C@H]2C(C)C)CC1 ZINC000627398780 484894887 /nfs/dbraw/zinc/89/48/87/484894887.db2.gz WNKJXRFOCMWDHP-SJORKVTESA-N 2 0 367.538 -0.167 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000627398924 484894592 /nfs/dbraw/zinc/89/45/92/484894592.db2.gz ZIYOLZZVYSZYES-CVEARBPZSA-N 2 0 365.522 -0.223 20 0 FBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000627398925 484894003 /nfs/dbraw/zinc/89/40/03/484894003.db2.gz ZIYOLZZVYSZYES-HOTGVXAUSA-N 2 0 365.522 -0.223 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000627398926 484894771 /nfs/dbraw/zinc/89/47/71/484894771.db2.gz ZIYOLZZVYSZYES-HZPDHXFCSA-N 2 0 365.522 -0.223 20 0 FBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000627398927 484894992 /nfs/dbraw/zinc/89/49/92/484894992.db2.gz ZIYOLZZVYSZYES-JKSUJKDBSA-N 2 0 365.522 -0.223 20 0 FBADRP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000627400255 484894823 /nfs/dbraw/zinc/89/48/23/484894823.db2.gz NGFDZBACTCCYHX-HNNXBMFYSA-N 2 0 352.479 -0.042 20 0 FBADRP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000627400256 484893887 /nfs/dbraw/zinc/89/38/87/484893887.db2.gz NGFDZBACTCCYHX-OAHLLOKOSA-N 2 0 352.479 -0.042 20 0 FBADRP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)NC2CC[NH2+]CC2)CC1 ZINC000627400262 484894267 /nfs/dbraw/zinc/89/42/67/484894267.db2.gz NKAMXHBKDZPKTC-UHFFFAOYSA-N 2 0 352.479 -0.042 20 0 FBADRP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)NCC2CC[NH2+]CC2)CC1 ZINC000627400276 484893911 /nfs/dbraw/zinc/89/39/11/484893911.db2.gz NZGKIYWMFWKYFC-UHFFFAOYSA-N 2 0 352.479 -0.185 20 0 FBADRP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)NCCC[NH2+]C2CC2)CC1 ZINC000627401874 484896012 /nfs/dbraw/zinc/89/60/12/484896012.db2.gz LTPWYOVZTFUTGF-UHFFFAOYSA-N 2 0 352.479 -0.042 20 0 FBADRP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000627402734 484895742 /nfs/dbraw/zinc/89/57/42/484895742.db2.gz PEZULPDLYRXXKD-HNNXBMFYSA-N 2 0 352.479 -0.057 20 0 FBADRP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000627402735 484255021 /nfs/dbraw/zinc/25/50/21/484255021.db2.gz PEZULPDLYRXXKD-OAHLLOKOSA-N 2 0 352.479 -0.057 20 0 FBADRP [NH3+][C@@H](CNC(=O)C(=O)NC[C@@H]1CN(Cc2ccncc2)CCO1)C1CC1 ZINC000627402786 484896171 /nfs/dbraw/zinc/89/61/71/484896171.db2.gz PYUJOFIZWZZJMI-CVEARBPZSA-N 2 0 361.446 -0.748 20 0 FBADRP [NH3+][C@@H](CNC(=O)C(=O)NC[C@H]1CN(Cc2ccncc2)CCO1)C1CC1 ZINC000627402787 484895879 /nfs/dbraw/zinc/89/58/79/484895879.db2.gz PYUJOFIZWZZJMI-HOTGVXAUSA-N 2 0 361.446 -0.748 20 0 FBADRP [NH3+][C@H](CNC(=O)C(=O)NC[C@@H]1CN(Cc2ccncc2)CCO1)C1CC1 ZINC000627402788 484895958 /nfs/dbraw/zinc/89/59/58/484895958.db2.gz PYUJOFIZWZZJMI-HZPDHXFCSA-N 2 0 361.446 -0.748 20 0 FBADRP [NH3+][C@H](CNC(=O)C(=O)NC[C@H]1CN(Cc2ccncc2)CCO1)C1CC1 ZINC000627402789 484895851 /nfs/dbraw/zinc/89/58/51/484895851.db2.gz PYUJOFIZWZZJMI-JKSUJKDBSA-N 2 0 361.446 -0.748 20 0 FBADRP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]C2)CC1 ZINC000627402794 484896232 /nfs/dbraw/zinc/89/62/32/484896232.db2.gz QCFQNTWJFNEPBB-HNNXBMFYSA-N 2 0 352.479 -0.185 20 0 FBADRP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)CC1 ZINC000627402795 484895662 /nfs/dbraw/zinc/89/56/62/484895662.db2.gz QCFQNTWJFNEPBB-OAHLLOKOSA-N 2 0 352.479 -0.185 20 0 FBADRP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000627403656 484263021 /nfs/dbraw/zinc/26/30/21/484263021.db2.gz LXPDMRWUNFUTHC-HNNXBMFYSA-N 2 0 352.479 -0.042 20 0 FBADRP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000627403657 484262966 /nfs/dbraw/zinc/26/29/66/484262966.db2.gz LXPDMRWUNFUTHC-OAHLLOKOSA-N 2 0 352.479 -0.042 20 0 FBADRP O=C(NC[C@H]1CCC[NH2+]1)C(=O)NC[C@H]1CN(Cc2ccncc2)CCO1 ZINC000627405428 484895773 /nfs/dbraw/zinc/89/57/73/484895773.db2.gz BDGLUJMNWVDEON-CVEARBPZSA-N 2 0 361.446 -0.733 20 0 FBADRP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)NC[C@H]1CN(Cc2ccncc2)CCO1 ZINC000627405429 484895584 /nfs/dbraw/zinc/89/55/84/484895584.db2.gz BDGLUJMNWVDEON-HOTGVXAUSA-N 2 0 361.446 -0.733 20 0 FBADRP O=C(NC[C@H]1CCC[NH2+]1)C(=O)NC[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000627405430 484895413 /nfs/dbraw/zinc/89/54/13/484895413.db2.gz BDGLUJMNWVDEON-HZPDHXFCSA-N 2 0 361.446 -0.733 20 0 FBADRP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)NC[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000627405431 484895544 /nfs/dbraw/zinc/89/55/44/484895544.db2.gz BDGLUJMNWVDEON-JKSUJKDBSA-N 2 0 361.446 -0.733 20 0 FBADRP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000627406117 484895760 /nfs/dbraw/zinc/89/57/60/484895760.db2.gz WVTOUCJCQNRFSO-HNNXBMFYSA-N 2 0 352.479 -0.042 20 0 FBADRP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000627406118 484896419 /nfs/dbraw/zinc/89/64/19/484896419.db2.gz WVTOUCJCQNRFSO-OAHLLOKOSA-N 2 0 352.479 -0.042 20 0 FBADRP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)CC1 ZINC000627406772 484895839 /nfs/dbraw/zinc/89/58/39/484895839.db2.gz QYNUYPGKLDLUCY-HNNXBMFYSA-N 2 0 352.479 -0.185 20 0 FBADRP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)NCC[C@H]2CC[NH2+]C2)CC1 ZINC000627406773 484896193 /nfs/dbraw/zinc/89/61/93/484896193.db2.gz QYNUYPGKLDLUCY-OAHLLOKOSA-N 2 0 352.479 -0.185 20 0 FBADRP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)NCC[NH2+]C2CC2)CC1 ZINC000627406863 484896049 /nfs/dbraw/zinc/89/60/49/484896049.db2.gz VLTAJHIYBJBWGX-UHFFFAOYSA-N 2 0 352.479 -0.042 20 0 FBADRP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000627408307 484896357 /nfs/dbraw/zinc/89/63/57/484896357.db2.gz SUMMKUPVXLGNTG-HNNXBMFYSA-N 2 0 352.479 -0.042 20 0 FBADRP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000627408308 484895640 /nfs/dbraw/zinc/89/56/40/484895640.db2.gz SUMMKUPVXLGNTG-OAHLLOKOSA-N 2 0 352.479 -0.042 20 0 FBADRP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000627412846 484897263 /nfs/dbraw/zinc/89/72/63/484897263.db2.gz VMPRCMDOOAOATK-HNNXBMFYSA-N 2 0 352.479 -0.057 20 0 FBADRP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000627412847 484897029 /nfs/dbraw/zinc/89/70/29/484897029.db2.gz VMPRCMDOOAOATK-OAHLLOKOSA-N 2 0 352.479 -0.057 20 0 FBADRP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]CC2)CC1 ZINC000627415972 484027649 /nfs/dbraw/zinc/02/76/49/484027649.db2.gz GYGIBONCXJJPKK-HNNXBMFYSA-N 2 0 352.479 -0.042 20 0 FBADRP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]CC2)CC1 ZINC000627415973 484028300 /nfs/dbraw/zinc/02/83/00/484028300.db2.gz GYGIBONCXJJPKK-OAHLLOKOSA-N 2 0 352.479 -0.042 20 0 FBADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000627416571 484899075 /nfs/dbraw/zinc/89/90/75/484899075.db2.gz CZYPTHVJBAUAGK-CABCVRRESA-N 2 0 352.479 -0.186 20 0 FBADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000627416572 484899218 /nfs/dbraw/zinc/89/92/18/484899218.db2.gz CZYPTHVJBAUAGK-GJZGRUSLSA-N 2 0 352.479 -0.186 20 0 FBADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000627416573 484071965 /nfs/dbraw/zinc/07/19/65/484071965.db2.gz CZYPTHVJBAUAGK-HUUCEWRRSA-N 2 0 352.479 -0.186 20 0 FBADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000627416574 484071086 /nfs/dbraw/zinc/07/10/86/484071086.db2.gz CZYPTHVJBAUAGK-LSDHHAIUSA-N 2 0 352.479 -0.186 20 0 FBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)CC[NH2+]1 ZINC000627417159 484899053 /nfs/dbraw/zinc/89/90/53/484899053.db2.gz RLJWQMHNXZDRMD-CABCVRRESA-N 2 0 352.479 -0.044 20 0 FBADRP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)CC[NH2+]1 ZINC000627417160 484898979 /nfs/dbraw/zinc/89/89/79/484898979.db2.gz RLJWQMHNXZDRMD-GJZGRUSLSA-N 2 0 352.479 -0.044 20 0 FBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)CC[NH2+]1 ZINC000627417161 484898457 /nfs/dbraw/zinc/89/84/57/484898457.db2.gz RLJWQMHNXZDRMD-HUUCEWRRSA-N 2 0 352.479 -0.044 20 0 FBADRP C[C@H]1C[C@H](NC(=O)C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)CC[NH2+]1 ZINC000627417162 484898610 /nfs/dbraw/zinc/89/86/10/484898610.db2.gz RLJWQMHNXZDRMD-LSDHHAIUSA-N 2 0 352.479 -0.044 20 0 FBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000627417669 484898952 /nfs/dbraw/zinc/89/89/52/484898952.db2.gz DAGIMYXNDVDUBI-CABCVRRESA-N 2 0 352.479 -0.186 20 0 FBADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000627417670 484898577 /nfs/dbraw/zinc/89/85/77/484898577.db2.gz DAGIMYXNDVDUBI-GJZGRUSLSA-N 2 0 352.479 -0.186 20 0 FBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000627417671 484898870 /nfs/dbraw/zinc/89/88/70/484898870.db2.gz DAGIMYXNDVDUBI-HUUCEWRRSA-N 2 0 352.479 -0.186 20 0 FBADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000627417672 484899259 /nfs/dbraw/zinc/89/92/59/484899259.db2.gz DAGIMYXNDVDUBI-LSDHHAIUSA-N 2 0 352.479 -0.186 20 0 FBADRP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)NCC2=CC[NH2+]CC2)CC1 ZINC000627418974 484898408 /nfs/dbraw/zinc/89/84/08/484898408.db2.gz IUQHKFGJJZQMDJ-UHFFFAOYSA-N 2 0 350.463 -0.264 20 0 FBADRP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)NCC[NH2+]CCOC)CC1 ZINC000627419127 484898767 /nfs/dbraw/zinc/89/87/67/484898767.db2.gz MVUIXPMYDPQGRX-UHFFFAOYSA-N 2 0 370.494 -0.558 20 0 FBADRP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000627420137 484898675 /nfs/dbraw/zinc/89/86/75/484898675.db2.gz AFUAYMUUJYRLQL-CABCVRRESA-N 2 0 352.479 -0.057 20 0 FBADRP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000627420138 484898631 /nfs/dbraw/zinc/89/86/31/484898631.db2.gz AFUAYMUUJYRLQL-GJZGRUSLSA-N 2 0 352.479 -0.057 20 0 FBADRP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000627420139 484898355 /nfs/dbraw/zinc/89/83/55/484898355.db2.gz AFUAYMUUJYRLQL-HUUCEWRRSA-N 2 0 352.479 -0.057 20 0 FBADRP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000627420140 484898806 /nfs/dbraw/zinc/89/88/06/484898806.db2.gz AFUAYMUUJYRLQL-LSDHHAIUSA-N 2 0 352.479 -0.057 20 0 FBADRP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000627420555 484898939 /nfs/dbraw/zinc/89/89/39/484898939.db2.gz LNKWPDYLOJJJBM-HNNXBMFYSA-N 2 0 368.478 -0.806 20 0 FBADRP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000627420556 484899340 /nfs/dbraw/zinc/89/93/40/484899340.db2.gz LNKWPDYLOJJJBM-OAHLLOKOSA-N 2 0 368.478 -0.806 20 0 FBADRP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000627421441 484900845 /nfs/dbraw/zinc/90/08/45/484900845.db2.gz JTCNWBYSTIWHQP-HNNXBMFYSA-N 2 0 368.478 -0.806 20 0 FBADRP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000627421442 484900496 /nfs/dbraw/zinc/90/04/96/484900496.db2.gz JTCNWBYSTIWHQP-OAHLLOKOSA-N 2 0 368.478 -0.806 20 0 FBADRP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000627423042 484900832 /nfs/dbraw/zinc/90/08/32/484900832.db2.gz BMXBFODTSNTMKO-UHFFFAOYSA-N 2 0 352.479 -0.055 20 0 FBADRP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000627428498 484529819 /nfs/dbraw/zinc/52/98/19/484529819.db2.gz HKYNARWYLIDYEO-UHFFFAOYSA-N 2 0 350.463 -0.432 20 0 FBADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000627428783 484901703 /nfs/dbraw/zinc/90/17/03/484901703.db2.gz OPPDENCJHYZFPH-CVEARBPZSA-N 2 0 352.479 -0.188 20 0 FBADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000627428784 484901944 /nfs/dbraw/zinc/90/19/44/484901944.db2.gz OPPDENCJHYZFPH-HOTGVXAUSA-N 2 0 352.479 -0.188 20 0 FBADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000627428785 484536999 /nfs/dbraw/zinc/53/69/99/484536999.db2.gz OPPDENCJHYZFPH-HZPDHXFCSA-N 2 0 352.479 -0.188 20 0 FBADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000627428786 484536339 /nfs/dbraw/zinc/53/63/39/484536339.db2.gz OPPDENCJHYZFPH-JKSUJKDBSA-N 2 0 352.479 -0.188 20 0 FBADRP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000627428855 484548703 /nfs/dbraw/zinc/54/87/03/484548703.db2.gz QELCHQIXYWRQOX-UHFFFAOYSA-N 2 0 364.490 -0.042 20 0 FBADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)NC1CC[NH+]([C@@H]3CCOC3)CC1)C2 ZINC000627429122 484901715 /nfs/dbraw/zinc/90/17/15/484901715.db2.gz YZWRSPQSCHVJNW-LZQZEXGQSA-N 2 0 364.490 -0.186 20 0 FBADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)NC1CC[NH+]([C@H]3CCOC3)CC1)C2 ZINC000627429123 484902165 /nfs/dbraw/zinc/90/21/65/484902165.db2.gz YZWRSPQSCHVJNW-ZYSHUDEJSA-N 2 0 364.490 -0.186 20 0 FBADRP [NH3+]C1(CNC(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)CCOCC1 ZINC000627429889 484902056 /nfs/dbraw/zinc/90/20/56/484902056.db2.gz CXFQDBSMLCRARM-UHFFFAOYSA-N 2 0 352.479 -0.151 20 0 FBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000627430002 484902155 /nfs/dbraw/zinc/90/21/55/484902155.db2.gz IBHQRAITWNMEIC-CGTJXYLNSA-N 2 0 373.501 -0.215 20 0 FBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000627430003 484901626 /nfs/dbraw/zinc/90/16/26/484901626.db2.gz IBHQRAITWNMEIC-RYQLBKOJSA-N 2 0 373.501 -0.215 20 0 FBADRP CCN(CC[NH3+])C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000627430182 484902024 /nfs/dbraw/zinc/90/20/24/484902024.db2.gz NMSYEAQAYXKSGS-KRWDZBQOSA-N 2 0 361.490 -0.274 20 0 FBADRP CCN(CC[NH3+])C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000627430183 484626397 /nfs/dbraw/zinc/62/63/97/484626397.db2.gz NMSYEAQAYXKSGS-QGZVFWFLSA-N 2 0 361.490 -0.274 20 0 FBADRP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627430265 484901675 /nfs/dbraw/zinc/90/16/75/484901675.db2.gz RDUOIHHFMQXNHS-IAGOWNOFSA-N 2 0 359.474 -0.603 20 0 FBADRP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627430266 484901727 /nfs/dbraw/zinc/90/17/27/484901727.db2.gz RDUOIHHFMQXNHS-SJORKVTESA-N 2 0 359.474 -0.603 20 0 FBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627439102 484904808 /nfs/dbraw/zinc/90/48/08/484904808.db2.gz AGCXRZJDBHAZIP-HNNXBMFYSA-N 2 0 351.495 -0.517 20 0 FBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627439103 484904126 /nfs/dbraw/zinc/90/41/26/484904126.db2.gz AGCXRZJDBHAZIP-OAHLLOKOSA-N 2 0 351.495 -0.517 20 0 FBADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000627440234 484904174 /nfs/dbraw/zinc/90/41/74/484904174.db2.gz GLLMHIGLFHJANO-HNNXBMFYSA-N 2 0 352.479 -0.308 20 0 FBADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000627440235 484904383 /nfs/dbraw/zinc/90/43/83/484904383.db2.gz GLLMHIGLFHJANO-OAHLLOKOSA-N 2 0 352.479 -0.308 20 0 FBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N[C@H]3CC[NH2+]C34CCC4)CC2)C1 ZINC000627441778 484904580 /nfs/dbraw/zinc/90/45/80/484904580.db2.gz SOKMISHAJQJRHZ-CVEARBPZSA-N 2 0 363.506 -0.374 20 0 FBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@H]3CC[NH2+]C34CCC4)CC2)C1 ZINC000627441779 484905168 /nfs/dbraw/zinc/90/51/68/484905168.db2.gz SOKMISHAJQJRHZ-HOTGVXAUSA-N 2 0 363.506 -0.374 20 0 FBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+]C34CCC4)CC2)C1 ZINC000627441780 484905351 /nfs/dbraw/zinc/90/53/51/484905351.db2.gz SOKMISHAJQJRHZ-HZPDHXFCSA-N 2 0 363.506 -0.374 20 0 FBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+]C34CCC4)CC2)C1 ZINC000627441781 484904517 /nfs/dbraw/zinc/90/45/17/484904517.db2.gz SOKMISHAJQJRHZ-JKSUJKDBSA-N 2 0 363.506 -0.374 20 0 FBADRP O=C(N[C@H]1CC[NH2+]C12CCC2)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000627442228 484905230 /nfs/dbraw/zinc/90/52/30/484905230.db2.gz FANOEOOSGZQXKI-HOTGVXAUSA-N 2 0 364.490 -0.042 20 0 FBADRP O=C(N[C@@H]1CC[NH2+]C12CCC2)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000627442229 484905317 /nfs/dbraw/zinc/90/53/17/484905317.db2.gz FANOEOOSGZQXKI-JKSUJKDBSA-N 2 0 364.490 -0.042 20 0 FBADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000627442603 484906032 /nfs/dbraw/zinc/90/60/32/484906032.db2.gz NLLYBTTXWIIYGD-HNNXBMFYSA-N 2 0 352.479 -0.044 20 0 FBADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000627442604 484905978 /nfs/dbraw/zinc/90/59/78/484905978.db2.gz NLLYBTTXWIIYGD-OAHLLOKOSA-N 2 0 352.479 -0.044 20 0 FBADRP O=C(N[C@H]1CC[NH2+]C12CCC2)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000627443582 484906972 /nfs/dbraw/zinc/90/69/72/484906972.db2.gz MIOKAEOBZLIOCG-INIZCTEOSA-N 2 0 364.490 -0.042 20 0 FBADRP O=C(N[C@@H]1CC[NH2+]C12CCC2)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000627443583 484906740 /nfs/dbraw/zinc/90/67/40/484906740.db2.gz MIOKAEOBZLIOCG-MRXNPFEDSA-N 2 0 364.490 -0.042 20 0 FBADRP O=C(N[C@H]1CC[NH2+]C12CCC2)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000627444046 484905869 /nfs/dbraw/zinc/90/58/69/484905869.db2.gz YSGPIIUIDLNYSW-INIZCTEOSA-N 2 0 364.490 -0.042 20 0 FBADRP O=C(N[C@@H]1CC[NH2+]C12CCC2)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000627444047 484906408 /nfs/dbraw/zinc/90/64/08/484906408.db2.gz YSGPIIUIDLNYSW-MRXNPFEDSA-N 2 0 364.490 -0.042 20 0 FBADRP O=C(N[C@H]1CC[NH2+]C12CCC2)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000627445110 484906946 /nfs/dbraw/zinc/90/69/46/484906946.db2.gz FANOEOOSGZQXKI-CVEARBPZSA-N 2 0 364.490 -0.042 20 0 FBADRP O=C(N[C@@H]1CC[NH2+]C12CCC2)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000627445111 484906282 /nfs/dbraw/zinc/90/62/82/484906282.db2.gz FANOEOOSGZQXKI-HZPDHXFCSA-N 2 0 364.490 -0.042 20 0 FBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627445167 484906448 /nfs/dbraw/zinc/90/64/48/484906448.db2.gz FZRCQFKJFOXENW-CABCVRRESA-N 2 0 352.479 -0.044 20 0 FBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627445168 484905958 /nfs/dbraw/zinc/90/59/58/484905958.db2.gz FZRCQFKJFOXENW-GJZGRUSLSA-N 2 0 352.479 -0.044 20 0 FBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627445169 484906556 /nfs/dbraw/zinc/90/65/56/484906556.db2.gz FZRCQFKJFOXENW-HUUCEWRRSA-N 2 0 352.479 -0.044 20 0 FBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627445170 484905909 /nfs/dbraw/zinc/90/59/09/484905909.db2.gz FZRCQFKJFOXENW-LSDHHAIUSA-N 2 0 352.479 -0.044 20 0 FBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)CCO1 ZINC000627446051 484906046 /nfs/dbraw/zinc/90/60/46/484906046.db2.gz FPWBFTCSKOHBMJ-CABCVRRESA-N 2 0 352.479 -0.044 20 0 FBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)CCO1 ZINC000627446052 484906369 /nfs/dbraw/zinc/90/63/69/484906369.db2.gz FPWBFTCSKOHBMJ-GJZGRUSLSA-N 2 0 352.479 -0.044 20 0 FBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)CCO1 ZINC000627446053 484906200 /nfs/dbraw/zinc/90/62/00/484906200.db2.gz FPWBFTCSKOHBMJ-HUUCEWRRSA-N 2 0 352.479 -0.044 20 0 FBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)CCO1 ZINC000627446054 484906579 /nfs/dbraw/zinc/90/65/79/484906579.db2.gz FPWBFTCSKOHBMJ-LSDHHAIUSA-N 2 0 352.479 -0.044 20 0 FBADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627446904 484906513 /nfs/dbraw/zinc/90/65/13/484906513.db2.gz XCZGONRGRZUJNK-INIZCTEOSA-N 2 0 365.522 -0.128 20 0 FBADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627446905 484906694 /nfs/dbraw/zinc/90/66/94/484906694.db2.gz XCZGONRGRZUJNK-MRXNPFEDSA-N 2 0 365.522 -0.128 20 0 FBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)NCC2([NH3+])CCOCC2)CCO1 ZINC000627452746 484907988 /nfs/dbraw/zinc/90/79/88/484907988.db2.gz SMAUKPLXNGJUPY-AWEZNQCLSA-N 2 0 356.467 -0.820 20 0 FBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NCC2([NH3+])CCOCC2)CCO1 ZINC000627452747 484907651 /nfs/dbraw/zinc/90/76/51/484907651.db2.gz SMAUKPLXNGJUPY-CQSZACIVSA-N 2 0 356.467 -0.820 20 0 FBADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000627452821 484907747 /nfs/dbraw/zinc/90/77/47/484907747.db2.gz VLKADGCYJJLHJU-HNNXBMFYSA-N 2 0 352.479 -0.199 20 0 FBADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000627452822 484907971 /nfs/dbraw/zinc/90/79/71/484907971.db2.gz VLKADGCYJJLHJU-OAHLLOKOSA-N 2 0 352.479 -0.199 20 0 FBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000627453165 484909069 /nfs/dbraw/zinc/90/90/69/484909069.db2.gz FDWRECURETWYKW-HNNXBMFYSA-N 2 0 370.494 -0.430 20 0 FBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000627453166 484908869 /nfs/dbraw/zinc/90/88/69/484908869.db2.gz FDWRECURETWYKW-OAHLLOKOSA-N 2 0 370.494 -0.430 20 0 FBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627453378 484908803 /nfs/dbraw/zinc/90/88/03/484908803.db2.gz LTXJRTCDXLCLQS-AWEZNQCLSA-N 2 0 356.467 -0.820 20 0 FBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627453379 484909202 /nfs/dbraw/zinc/90/92/02/484909202.db2.gz LTXJRTCDXLCLQS-CQSZACIVSA-N 2 0 356.467 -0.820 20 0 FBADRP C[C@H]1C[NH+](CCCNC(=O)C(=O)NCC2([NH3+])CCOCC2)C[C@H](C)O1 ZINC000627453574 484908931 /nfs/dbraw/zinc/90/89/31/484908931.db2.gz QMFLVXJXFVVQHX-KBPBESRZSA-N 2 0 356.467 -0.774 20 0 FBADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NCC2([NH3+])CCOCC2)C[C@H](C)O1 ZINC000627453575 484909372 /nfs/dbraw/zinc/90/93/72/484909372.db2.gz QMFLVXJXFVVQHX-OKILXGFUSA-N 2 0 356.467 -0.774 20 0 FBADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NCC2([NH3+])CCOCC2)C[C@@H](C)O1 ZINC000627453576 484908949 /nfs/dbraw/zinc/90/89/49/484908949.db2.gz QMFLVXJXFVVQHX-ZIAGYGMSSA-N 2 0 356.467 -0.774 20 0 FBADRP [NH3+]C1(CNC(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)CCOCC1 ZINC000627454107 484908967 /nfs/dbraw/zinc/90/89/67/484908967.db2.gz HGBGLSABXCSKMM-UHFFFAOYSA-N 2 0 352.479 -0.055 20 0 FBADRP [NH3+]C1(CNC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)CCOCC1 ZINC000627454639 484908886 /nfs/dbraw/zinc/90/88/86/484908886.db2.gz VDENSFJQMGGTNA-UHFFFAOYSA-N 2 0 368.478 -0.819 20 0 FBADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627455323 484909085 /nfs/dbraw/zinc/90/90/85/484909085.db2.gz RZRJEDUEVSZOGP-UHFFFAOYSA-N 2 0 352.435 -0.206 20 0 FBADRP C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)NCC3([NH3+])CCOCC3)C2)CC1 ZINC000627455350 484908459 /nfs/dbraw/zinc/90/84/59/484908459.db2.gz SPCRGJZHLDHGKO-HNNXBMFYSA-N 2 0 352.479 -0.199 20 0 FBADRP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)NCC3([NH3+])CCOCC3)C2)CC1 ZINC000627455351 484909160 /nfs/dbraw/zinc/90/91/60/484909160.db2.gz SPCRGJZHLDHGKO-OAHLLOKOSA-N 2 0 352.479 -0.199 20 0 FBADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627455524 484908520 /nfs/dbraw/zinc/90/85/20/484908520.db2.gz YNHKVESXIGMUAL-AWEZNQCLSA-N 2 0 368.478 -0.678 20 0 FBADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627455525 484908746 /nfs/dbraw/zinc/90/87/46/484908746.db2.gz YNHKVESXIGMUAL-CQSZACIVSA-N 2 0 368.478 -0.678 20 0 FBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000627456686 484910256 /nfs/dbraw/zinc/91/02/56/484910256.db2.gz VAOKEROJUAODSG-LSDHHAIUSA-N 2 0 352.479 -0.044 20 0 FBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000627456877 484910057 /nfs/dbraw/zinc/91/00/57/484910057.db2.gz ANNWVDBGMSZGPH-LSDHHAIUSA-N 2 0 361.446 -0.005 20 0 FBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000627456999 484910214 /nfs/dbraw/zinc/91/02/14/484910214.db2.gz GGOBYCIZGRJVTQ-IXDOHACOSA-N 2 0 365.522 -0.130 20 0 FBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000627457000 484909800 /nfs/dbraw/zinc/90/98/00/484909800.db2.gz GGOBYCIZGRJVTQ-YESZJQIVSA-N 2 0 365.522 -0.130 20 0 FBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000627457216 484910708 /nfs/dbraw/zinc/91/07/08/484910708.db2.gz OBQIMFKULPGZPX-OWCLPIDISA-N 2 0 352.479 -0.186 20 0 FBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000627457307 484910648 /nfs/dbraw/zinc/91/06/48/484910648.db2.gz QSSRRGWHYVTIAH-JKSUJKDBSA-N 2 0 353.511 -0.273 20 0 FBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000627457678 484909845 /nfs/dbraw/zinc/90/98/45/484909845.db2.gz FPOAUCGIQGRUHO-UONOGXRCSA-N 2 0 361.446 -0.005 20 0 FBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000627458174 484909961 /nfs/dbraw/zinc/90/99/61/484909961.db2.gz XAXICZSCWMBPPM-MWDXBVQZSA-N 2 0 365.522 -0.273 20 0 FBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000627458175 484910818 /nfs/dbraw/zinc/91/08/18/484910818.db2.gz XAXICZSCWMBPPM-NXOAAHMSSA-N 2 0 365.522 -0.273 20 0 FBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000627458176 484909914 /nfs/dbraw/zinc/90/99/14/484909914.db2.gz XAXICZSCWMBPPM-TWMKSMIVSA-N 2 0 365.522 -0.273 20 0 FBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000627458177 484910550 /nfs/dbraw/zinc/91/05/50/484910550.db2.gz XAXICZSCWMBPPM-YYIAUSFCSA-N 2 0 365.522 -0.273 20 0 FBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000627458594 484910573 /nfs/dbraw/zinc/91/05/73/484910573.db2.gz KIJGEWHNGGOGFI-JKSUJKDBSA-N 2 0 352.479 -0.186 20 0 FBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000627458649 484910802 /nfs/dbraw/zinc/91/08/02/484910802.db2.gz LWDICMPWEKYGGL-LSDHHAIUSA-N 2 0 367.494 -0.744 20 0 FBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000627458734 484910499 /nfs/dbraw/zinc/91/04/99/484910499.db2.gz NXQPIXWEPDMVPN-JKSUJKDBSA-N 2 0 352.479 -0.186 20 0 FBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000627458804 484910391 /nfs/dbraw/zinc/91/03/91/484910391.db2.gz QPQMIWSBQSEOTC-DLBZAZTESA-N 2 0 365.522 -0.271 20 0 FBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000627459126 484910321 /nfs/dbraw/zinc/91/03/21/484910321.db2.gz AKYUUTUPYFVACV-RRFJBIMHSA-N 2 0 365.478 -0.992 20 0 FBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000627459127 484910170 /nfs/dbraw/zinc/91/01/70/484910170.db2.gz AKYUUTUPYFVACV-ZNMIVQPWSA-N 2 0 365.478 -0.992 20 0 FBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000627459642 484910358 /nfs/dbraw/zinc/91/03/58/484910358.db2.gz OBQIMFKULPGZPX-HRCADAONSA-N 2 0 352.479 -0.186 20 0 FBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000627459643 484910535 /nfs/dbraw/zinc/91/05/35/484910535.db2.gz OCLHIVPHQUBHHO-LSDHHAIUSA-N 2 0 365.478 -0.990 20 0 FBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000627460410 484911513 /nfs/dbraw/zinc/91/15/13/484911513.db2.gz JKYMSHYYGSWSPT-HRCADAONSA-N 2 0 351.495 -0.519 20 0 FBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000627460411 484911364 /nfs/dbraw/zinc/91/13/64/484911364.db2.gz JKYMSHYYGSWSPT-OWCLPIDISA-N 2 0 351.495 -0.519 20 0 FBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000627460621 484912251 /nfs/dbraw/zinc/91/22/51/484912251.db2.gz PEPIMDGICUPKPY-CWRNSKLLSA-N 2 0 352.479 -0.045 20 0 FBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000627460622 484911920 /nfs/dbraw/zinc/91/19/20/484911920.db2.gz PEPIMDGICUPKPY-VNQPRFMTSA-N 2 0 352.479 -0.045 20 0 FBADRP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)NCCOCC[NH2+]C)CC1 ZINC000627461340 484911534 /nfs/dbraw/zinc/91/15/34/484911534.db2.gz MUMBRSZPZLDBKZ-UHFFFAOYSA-N 2 0 370.494 -0.558 20 0 FBADRP C[NH2+]CCOCCNC(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000627461404 485261068 /nfs/dbraw/zinc/26/10/68/485261068.db2.gz OMFSMLYPBUIDLZ-UHFFFAOYSA-N 2 0 356.467 -0.948 20 0 FBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000627461417 484912084 /nfs/dbraw/zinc/91/20/84/484912084.db2.gz OSSWKIQBBNILHH-IXDOHACOSA-N 2 0 365.522 -0.128 20 0 FBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000627461418 484911631 /nfs/dbraw/zinc/91/16/31/484911631.db2.gz OSSWKIQBBNILHH-YESZJQIVSA-N 2 0 365.522 -0.128 20 0 FBADRP C[NH2+]CCOCCNC(=O)C(=O)N1CCC[C@@H]1CN1C[C@@H](C)O[C@H](C)C1 ZINC000627461586 484912237 /nfs/dbraw/zinc/91/22/37/484912237.db2.gz UOFFPFINGXNHOO-BZUAXINKSA-N 2 0 370.494 -0.561 20 0 FBADRP C[NH2+]CCOCCNC(=O)C(=O)N1CCC[C@@H]1CN1C[C@H](C)O[C@@H](C)C1 ZINC000627461587 484911887 /nfs/dbraw/zinc/91/18/87/484911887.db2.gz UOFFPFINGXNHOO-HRCADAONSA-N 2 0 370.494 -0.561 20 0 FBADRP C[NH2+]CCOCCNC(=O)C(=O)N1CCC[C@@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000627461588 484911579 /nfs/dbraw/zinc/91/15/79/484911579.db2.gz UOFFPFINGXNHOO-OWCLPIDISA-N 2 0 370.494 -0.561 20 0 FBADRP C[NH2+]CCOCCNC(=O)C(=O)N1CCC[C@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000627461589 484912032 /nfs/dbraw/zinc/91/20/32/484912032.db2.gz UOFFPFINGXNHOO-XHSDSOJGSA-N 2 0 370.494 -0.561 20 0 FBADRP C[NH2+]CCOCCNC(=O)C(=O)N1CCN(Cc2ccccc2C)CC1 ZINC000627461839 484912174 /nfs/dbraw/zinc/91/21/74/484912174.db2.gz AGQSTLZLWYJWLP-UHFFFAOYSA-N 2 0 362.474 -0.009 20 0 FBADRP C[NH2+]CCOCCNC(=O)C(=O)N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000627462350 484911974 /nfs/dbraw/zinc/91/19/74/484911974.db2.gz RCNAIKFFDHYYOW-UHFFFAOYSA-N 2 0 365.434 -0.909 20 0 FBADRP C[NH2+]CCOCCNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000627462632 484912305 /nfs/dbraw/zinc/91/23/05/484912305.db2.gz ZBNPGLSJHNDGAQ-GDBMZVCRSA-N 2 0 352.479 -0.186 20 0 FBADRP C[NH2+]CCOCCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000627462633 484911669 /nfs/dbraw/zinc/91/16/69/484911669.db2.gz ZBNPGLSJHNDGAQ-GOEBONIOSA-N 2 0 352.479 -0.186 20 0 FBADRP C[NH2+]CCOCCNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000627462634 484911869 /nfs/dbraw/zinc/91/18/69/484911869.db2.gz ZBNPGLSJHNDGAQ-HOCLYGCPSA-N 2 0 352.479 -0.186 20 0 FBADRP C[NH2+]CCOCCNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000627462635 484912366 /nfs/dbraw/zinc/91/23/66/484912366.db2.gz ZBNPGLSJHNDGAQ-ZBFHGGJFSA-N 2 0 352.479 -0.186 20 0 FBADRP C[NH2+]CCOCCNC(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000627463925 484912952 /nfs/dbraw/zinc/91/29/52/484912952.db2.gz MSYVVMFIHXMZIF-HDICACEKSA-N 2 0 374.485 -0.071 20 0 FBADRP C[NH2+]CCOCCNC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000627464734 484913320 /nfs/dbraw/zinc/91/33/20/484913320.db2.gz LRNKPPWTWGBOME-AWEZNQCLSA-N 2 0 356.467 -0.950 20 0 FBADRP C[NH2+]CCOCCNC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000627464735 484913057 /nfs/dbraw/zinc/91/30/57/484913057.db2.gz LRNKPPWTWGBOME-CQSZACIVSA-N 2 0 356.467 -0.950 20 0 FBADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627469037 484914495 /nfs/dbraw/zinc/91/44/95/484914495.db2.gz KKOSRJBSIVGXQF-INIZCTEOSA-N 2 0 366.437 -0.180 20 0 FBADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627469038 484915109 /nfs/dbraw/zinc/91/51/09/484915109.db2.gz KKOSRJBSIVGXQF-MRXNPFEDSA-N 2 0 366.437 -0.180 20 0 FBADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]2COCC[NH2+]2)o1 ZINC000627469177 484914727 /nfs/dbraw/zinc/91/47/27/484914727.db2.gz NNDCBQBNTGTNEU-AWEZNQCLSA-N 2 0 352.435 -0.417 20 0 FBADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)o1 ZINC000627469178 484914216 /nfs/dbraw/zinc/91/42/16/484914216.db2.gz NNDCBQBNTGTNEU-CQSZACIVSA-N 2 0 352.435 -0.417 20 0 FBADRP CC1CCC([NH+]2CCN(C(=O)C(=O)NC[C@@H]3COCC[NH2+]3)CC2)CC1 ZINC000627469332 484914910 /nfs/dbraw/zinc/91/49/10/484914910.db2.gz RDOUGPGHIQGCQD-HWOWSKLDSA-N 2 0 352.479 -0.186 20 0 FBADRP CC1CCC([NH+]2CCN(C(=O)C(=O)NC[C@H]3COCC[NH2+]3)CC2)CC1 ZINC000627469333 484914393 /nfs/dbraw/zinc/91/43/93/484914393.db2.gz RDOUGPGHIQGCQD-PCKAHOCUSA-N 2 0 352.479 -0.186 20 0 FBADRP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000627469956 484915653 /nfs/dbraw/zinc/91/56/53/484915653.db2.gz IWHCXYUWIPTMLE-FGTMMUONSA-N 2 0 372.469 -0.319 20 0 FBADRP O=C(NC[C@H]1COCC[NH2+]1)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000627469957 484916090 /nfs/dbraw/zinc/91/60/90/484916090.db2.gz IWHCXYUWIPTMLE-KSZLIROESA-N 2 0 372.469 -0.319 20 0 FBADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627470674 484915589 /nfs/dbraw/zinc/91/55/89/484915589.db2.gz XAAPTNXYHIDBNW-CYBMUJFWSA-N 2 0 354.476 -0.257 20 0 FBADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627470675 484916770 /nfs/dbraw/zinc/91/67/70/484916770.db2.gz XAAPTNXYHIDBNW-ZDUSSCGKSA-N 2 0 354.476 -0.257 20 0 FBADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627471392 484915948 /nfs/dbraw/zinc/91/59/48/484915948.db2.gz MPOAKMOILVJLPP-INIZCTEOSA-N 2 0 366.437 -0.180 20 0 FBADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627471393 484916261 /nfs/dbraw/zinc/91/62/61/484916261.db2.gz MPOAKMOILVJLPP-MRXNPFEDSA-N 2 0 366.437 -0.180 20 0 FBADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]2COCC[NH2+]2)c1 ZINC000627471611 484916488 /nfs/dbraw/zinc/91/64/88/484916488.db2.gz SOCBCGJWDNLBCL-KRWDZBQOSA-N 2 0 362.474 -0.010 20 0 FBADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)c1 ZINC000627471612 484918458 /nfs/dbraw/zinc/91/84/58/484918458.db2.gz SOCBCGJWDNLBCL-QGZVFWFLSA-N 2 0 362.474 -0.010 20 0 FBADRP O=C(NC[C@H]1COCC[NH2+]1)C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000627471670 484917718 /nfs/dbraw/zinc/91/77/18/484917718.db2.gz UZOODQPEYCBGTE-INIZCTEOSA-N 2 0 352.479 -0.185 20 0 FBADRP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000627471671 484918263 /nfs/dbraw/zinc/91/82/63/484918263.db2.gz UZOODQPEYCBGTE-MRXNPFEDSA-N 2 0 352.479 -0.185 20 0 FBADRP CN(C(=O)C(=O)NC[C@H]1COCC[NH2+]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000627472128 484918083 /nfs/dbraw/zinc/91/80/83/484918083.db2.gz HZZIXCZIXMWVCH-DLBZAZTESA-N 2 0 360.458 -0.176 20 0 FBADRP CN(C(=O)C(=O)NC[C@@H]1COCC[NH2+]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000627472129 484917430 /nfs/dbraw/zinc/91/74/30/484917430.db2.gz HZZIXCZIXMWVCH-IAGOWNOFSA-N 2 0 360.458 -0.176 20 0 FBADRP CN(C(=O)C(=O)NC[C@H]1COCC[NH2+]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000627472130 484917320 /nfs/dbraw/zinc/91/73/20/484917320.db2.gz HZZIXCZIXMWVCH-IRXDYDNUSA-N 2 0 360.458 -0.176 20 0 FBADRP CN(C(=O)C(=O)NC[C@@H]1COCC[NH2+]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000627472131 484918697 /nfs/dbraw/zinc/91/86/97/484918697.db2.gz HZZIXCZIXMWVCH-SJORKVTESA-N 2 0 360.458 -0.176 20 0 FBADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627472871 484918527 /nfs/dbraw/zinc/91/85/27/484918527.db2.gz BCLIKHFLDPPWHU-DLBZAZTESA-N 2 0 360.458 -0.176 20 0 FBADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000627472872 484917384 /nfs/dbraw/zinc/91/73/84/484917384.db2.gz BCLIKHFLDPPWHU-IAGOWNOFSA-N 2 0 360.458 -0.176 20 0 FBADRP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627472873 484917851 /nfs/dbraw/zinc/91/78/51/484917851.db2.gz BCLIKHFLDPPWHU-IRXDYDNUSA-N 2 0 360.458 -0.176 20 0 FBADRP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000627472874 484917234 /nfs/dbraw/zinc/91/72/34/484917234.db2.gz BCLIKHFLDPPWHU-SJORKVTESA-N 2 0 360.458 -0.176 20 0 FBADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627472976 484917629 /nfs/dbraw/zinc/91/76/29/484917629.db2.gz DCGDZECDVDYJGW-HNNXBMFYSA-N 2 0 366.437 -0.180 20 0 FBADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627472977 484917549 /nfs/dbraw/zinc/91/75/49/484917549.db2.gz DCGDZECDVDYJGW-OAHLLOKOSA-N 2 0 366.437 -0.180 20 0 FBADRP C[NH+](C)CCCOC1CCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000627473125 484917896 /nfs/dbraw/zinc/91/78/96/484917896.db2.gz HSDTZNZTNNBQNC-AWEZNQCLSA-N 2 0 356.467 -0.950 20 0 FBADRP C[NH+](C)CCCOC1CCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000627473126 484918625 /nfs/dbraw/zinc/91/86/25/484918625.db2.gz HSDTZNZTNNBQNC-CQSZACIVSA-N 2 0 356.467 -0.950 20 0 FBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000627473530 484919867 /nfs/dbraw/zinc/91/98/67/484919867.db2.gz PIVVKTDIZAVLJK-CABCVRRESA-N 2 0 356.467 -0.950 20 0 FBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627473531 484920483 /nfs/dbraw/zinc/92/04/83/484920483.db2.gz PIVVKTDIZAVLJK-GJZGRUSLSA-N 2 0 356.467 -0.950 20 0 FBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000627473532 484919954 /nfs/dbraw/zinc/91/99/54/484919954.db2.gz PIVVKTDIZAVLJK-HUUCEWRRSA-N 2 0 356.467 -0.950 20 0 FBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627473533 484919424 /nfs/dbraw/zinc/91/94/24/484919424.db2.gz PIVVKTDIZAVLJK-LSDHHAIUSA-N 2 0 356.467 -0.950 20 0 FBADRP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000627474443 484919979 /nfs/dbraw/zinc/91/99/79/484919979.db2.gz OQHNJXPGXSAMTR-FMKPAKJESA-N 2 0 350.463 -0.434 20 0 FBADRP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000627474444 484919895 /nfs/dbraw/zinc/91/98/95/484919895.db2.gz OQHNJXPGXSAMTR-IIAWOOMASA-N 2 0 350.463 -0.434 20 0 FBADRP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000627474445 484919815 /nfs/dbraw/zinc/91/98/15/484919815.db2.gz OQHNJXPGXSAMTR-LZWOXQAQSA-N 2 0 350.463 -0.434 20 0 FBADRP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000627474446 484920060 /nfs/dbraw/zinc/92/00/60/484920060.db2.gz OQHNJXPGXSAMTR-SQWLQELKSA-N 2 0 350.463 -0.434 20 0 FBADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627474932 484921474 /nfs/dbraw/zinc/92/14/74/484921474.db2.gz BMELSYYRNWATNL-AWEZNQCLSA-N 2 0 354.476 -0.257 20 0 FBADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627474933 484921154 /nfs/dbraw/zinc/92/11/54/484921154.db2.gz BMELSYYRNWATNL-CQSZACIVSA-N 2 0 354.476 -0.257 20 0 FBADRP O=C(NC[C@H]1COCC[NH2+]1)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000627475336 484922463 /nfs/dbraw/zinc/92/24/63/484922463.db2.gz KPAWSOQAIDDJOT-OKZBNKHCSA-N 2 0 372.469 -0.176 20 0 FBADRP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000627475337 484922190 /nfs/dbraw/zinc/92/21/90/484922190.db2.gz KPAWSOQAIDDJOT-RCCFBDPRSA-N 2 0 372.469 -0.176 20 0 FBADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000627475379 484922416 /nfs/dbraw/zinc/92/24/16/484922416.db2.gz LNKQMPFICXKGFE-MSOLQXFVSA-N 2 0 374.485 -0.134 20 0 FBADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000627475380 484921551 /nfs/dbraw/zinc/92/15/51/484921551.db2.gz LNKQMPFICXKGFE-QZTJIDSGSA-N 2 0 374.485 -0.134 20 0 FBADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627475381 484921740 /nfs/dbraw/zinc/92/17/40/484921740.db2.gz LNKQMPFICXKGFE-ROUUACIJSA-N 2 0 374.485 -0.134 20 0 FBADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627475382 484921805 /nfs/dbraw/zinc/92/18/05/484921805.db2.gz LNKQMPFICXKGFE-ZWKOTPCHSA-N 2 0 374.485 -0.134 20 0 FBADRP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000627475417 484922336 /nfs/dbraw/zinc/92/23/36/484922336.db2.gz MELZFHNMFWSJPI-HNNXBMFYSA-N 2 0 368.478 -0.806 20 0 FBADRP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000627475418 484922292 /nfs/dbraw/zinc/92/22/92/484922292.db2.gz MELZFHNMFWSJPI-OAHLLOKOSA-N 2 0 368.478 -0.806 20 0 FBADRP O=C(NC[C@H]1COCC[NH2+]1)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000627475743 484921053 /nfs/dbraw/zinc/92/10/53/484921053.db2.gz TUANWBUNEWZZFS-HNNXBMFYSA-N 2 0 368.478 -0.806 20 0 FBADRP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000627475744 484922159 /nfs/dbraw/zinc/92/21/59/484922159.db2.gz TUANWBUNEWZZFS-OAHLLOKOSA-N 2 0 368.478 -0.806 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@H]3CC[C@H](C)[NH2+]C3)CC2)c1 ZINC000627476360 484921131 /nfs/dbraw/zinc/92/11/31/484921131.db2.gz DSFQQTSAEAGEQU-KBPBESRZSA-N 2 0 361.446 -0.005 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@H]3CC[C@@H](C)[NH2+]C3)CC2)c1 ZINC000627476361 484921791 /nfs/dbraw/zinc/92/17/91/484921791.db2.gz DSFQQTSAEAGEQU-KGLIPLIRSA-N 2 0 361.446 -0.005 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H]3CC[C@H](C)[NH2+]C3)CC2)c1 ZINC000627476362 484922253 /nfs/dbraw/zinc/92/22/53/484922253.db2.gz DSFQQTSAEAGEQU-UONOGXRCSA-N 2 0 361.446 -0.005 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H]3CC[C@@H](C)[NH2+]C3)CC2)c1 ZINC000627476363 484921097 /nfs/dbraw/zinc/92/10/97/484921097.db2.gz DSFQQTSAEAGEQU-ZIAGYGMSSA-N 2 0 361.446 -0.005 20 0 FBADRP C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)C[NH2+]1 ZINC000627477258 484923393 /nfs/dbraw/zinc/92/33/93/484923393.db2.gz TXLXVUAZHVWTKO-CABCVRRESA-N 2 0 352.479 -0.044 20 0 FBADRP C[C@H]1CC[C@H](NC(=O)C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)C[NH2+]1 ZINC000627477259 484922980 /nfs/dbraw/zinc/92/29/80/484922980.db2.gz TXLXVUAZHVWTKO-GJZGRUSLSA-N 2 0 352.479 -0.044 20 0 FBADRP C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)C[NH2+]1 ZINC000627477260 484923050 /nfs/dbraw/zinc/92/30/50/484923050.db2.gz TXLXVUAZHVWTKO-HUUCEWRRSA-N 2 0 352.479 -0.044 20 0 FBADRP C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)C[NH2+]1 ZINC000627477261 484923112 /nfs/dbraw/zinc/92/31/12/484923112.db2.gz TXLXVUAZHVWTKO-LSDHHAIUSA-N 2 0 352.479 -0.044 20 0 FBADRP C[C@@H]1CC[C@@H](NC(=O)C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C[NH2+]1 ZINC000627477477 484923192 /nfs/dbraw/zinc/92/31/92/484923192.db2.gz WVCSQPPQSAEUOV-BFYDXBDKSA-N 2 0 365.522 -0.130 20 0 FBADRP C[C@@H]1CC[C@H](NC(=O)C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C[NH2+]1 ZINC000627477478 484923853 /nfs/dbraw/zinc/92/38/53/484923853.db2.gz WVCSQPPQSAEUOV-HLLBOEOZSA-N 2 0 365.522 -0.130 20 0 FBADRP C[C@@H]1CC[C@@H](NC(=O)C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)C[NH2+]1 ZINC000627477479 484923741 /nfs/dbraw/zinc/92/37/41/484923741.db2.gz WVCSQPPQSAEUOV-INMHGKMJSA-N 2 0 365.522 -0.130 20 0 FBADRP C[C@@H]1CC[C@H](NC(=O)C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)C[NH2+]1 ZINC000627477480 484923417 /nfs/dbraw/zinc/92/34/17/484923417.db2.gz WVCSQPPQSAEUOV-VYDXJSESSA-N 2 0 365.522 -0.130 20 0 FBADRP C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C[NH2+]1 ZINC000627477495 484923258 /nfs/dbraw/zinc/92/32/58/484923258.db2.gz XITCZXSVLHERPJ-ARFHVFGLSA-N 2 0 352.479 -0.186 20 0 FBADRP C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C[NH2+]1 ZINC000627477496 484923062 /nfs/dbraw/zinc/92/30/62/484923062.db2.gz XITCZXSVLHERPJ-BZUAXINKSA-N 2 0 352.479 -0.186 20 0 FBADRP C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C[NH2+]1 ZINC000627477497 484923691 /nfs/dbraw/zinc/92/36/91/484923691.db2.gz XITCZXSVLHERPJ-OAGGEKHMSA-N 2 0 352.479 -0.186 20 0 FBADRP C[C@H]1CC[C@H](NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C[NH2+]1 ZINC000627477498 484923611 /nfs/dbraw/zinc/92/36/11/484923611.db2.gz XITCZXSVLHERPJ-XHSDSOJGSA-N 2 0 352.479 -0.186 20 0 FBADRP C[C@@H]1CC[C@H](NC(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)C[NH2+]1 ZINC000627477503 484922930 /nfs/dbraw/zinc/92/29/30/484922930.db2.gz XNIYWPULNPHSCZ-CABCVRRESA-N 2 0 353.511 -0.273 20 0 FBADRP C[C@H]1CC[C@H](NC(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)C[NH2+]1 ZINC000627477504 484923508 /nfs/dbraw/zinc/92/35/08/484923508.db2.gz XNIYWPULNPHSCZ-GJZGRUSLSA-N 2 0 353.511 -0.273 20 0 FBADRP C[C@@H]1CC[C@@H](NC(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)C[NH2+]1 ZINC000627477505 484923569 /nfs/dbraw/zinc/92/35/69/484923569.db2.gz XNIYWPULNPHSCZ-HUUCEWRRSA-N 2 0 353.511 -0.273 20 0 FBADRP C[C@H]1CC[C@@H](NC(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)C[NH2+]1 ZINC000627477506 484923130 /nfs/dbraw/zinc/92/31/30/484923130.db2.gz XNIYWPULNPHSCZ-LSDHHAIUSA-N 2 0 353.511 -0.273 20 0 FBADRP C[C@@H]1CC[C@H](NC(=O)C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)C[NH2+]1 ZINC000627478407 484922965 /nfs/dbraw/zinc/92/29/65/484922965.db2.gz MKXXUCAPFNBSQG-NCOADZHNSA-N 2 0 365.522 -0.273 20 0 FBADRP C[C@@H]1CC[C@H](NC(=O)C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)C[NH2+]1 ZINC000627478408 484923352 /nfs/dbraw/zinc/92/33/52/484923352.db2.gz MKXXUCAPFNBSQG-VVLHAWIVSA-N 2 0 365.522 -0.273 20 0 FBADRP C[C@@H]1CC[C@H](NC(=O)C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)C[NH2+]1 ZINC000627478409 484923916 /nfs/dbraw/zinc/92/39/16/484923916.db2.gz MKXXUCAPFNBSQG-WCXIOVBPSA-N 2 0 365.522 -0.273 20 0 FBADRP C[C@@H]1CC[C@H](NC(=O)C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)C[NH2+]1 ZINC000627478410 484923815 /nfs/dbraw/zinc/92/38/15/484923815.db2.gz MKXXUCAPFNBSQG-YVSFHVDLSA-N 2 0 365.522 -0.273 20 0 FBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000627478661 484923280 /nfs/dbraw/zinc/92/32/80/484923280.db2.gz QFEPOEWHVJWGIL-KBPBESRZSA-N 2 0 361.446 -0.005 20 0 FBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627478662 484923785 /nfs/dbraw/zinc/92/37/85/484923785.db2.gz QFEPOEWHVJWGIL-KGLIPLIRSA-N 2 0 361.446 -0.005 20 0 FBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000627478663 484923834 /nfs/dbraw/zinc/92/38/34/484923834.db2.gz QFEPOEWHVJWGIL-UONOGXRCSA-N 2 0 361.446 -0.005 20 0 FBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627478664 484923014 /nfs/dbraw/zinc/92/30/14/484923014.db2.gz QFEPOEWHVJWGIL-ZIAGYGMSSA-N 2 0 361.446 -0.005 20 0 FBADRP C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C[NH2+]1 ZINC000627479453 484923712 /nfs/dbraw/zinc/92/37/12/484923712.db2.gz CCVSKUBJQODKEM-CABCVRRESA-N 2 0 365.478 -0.990 20 0 FBADRP C[C@H]1CC[C@H](NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C[NH2+]1 ZINC000627479454 484923068 /nfs/dbraw/zinc/92/30/68/484923068.db2.gz CCVSKUBJQODKEM-GJZGRUSLSA-N 2 0 365.478 -0.990 20 0 FBADRP C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C[NH2+]1 ZINC000627479455 484923928 /nfs/dbraw/zinc/92/39/28/484923928.db2.gz CCVSKUBJQODKEM-HUUCEWRRSA-N 2 0 365.478 -0.990 20 0 FBADRP C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C[NH2+]1 ZINC000627479456 484922835 /nfs/dbraw/zinc/92/28/35/484922835.db2.gz CCVSKUBJQODKEM-LSDHHAIUSA-N 2 0 365.478 -0.990 20 0 FBADRP C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)C[NH2+]1 ZINC000627479592 484923296 /nfs/dbraw/zinc/92/32/96/484923296.db2.gz DNQKENIFRCKMFA-GDBMZVCRSA-N 2 0 352.479 -0.186 20 0 FBADRP C[C@H]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)C[NH2+]1 ZINC000627479593 484923730 /nfs/dbraw/zinc/92/37/30/484923730.db2.gz DNQKENIFRCKMFA-GOEBONIOSA-N 2 0 352.479 -0.186 20 0 FBADRP C[C@H]1CC[C@H](NC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)C[NH2+]1 ZINC000627479594 484922861 /nfs/dbraw/zinc/92/28/61/484922861.db2.gz DNQKENIFRCKMFA-HOCLYGCPSA-N 2 0 352.479 -0.186 20 0 FBADRP C[C@@H]1CC[C@H](NC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)C[NH2+]1 ZINC000627479595 484923322 /nfs/dbraw/zinc/92/33/22/484923322.db2.gz DNQKENIFRCKMFA-ZBFHGGJFSA-N 2 0 352.479 -0.186 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627480575 484924918 /nfs/dbraw/zinc/92/49/18/484924918.db2.gz QVSHDEJWMDCGEF-CABCVRRESA-N 2 0 367.494 -0.744 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000627480576 484924988 /nfs/dbraw/zinc/92/49/88/484924988.db2.gz QVSHDEJWMDCGEF-GJZGRUSLSA-N 2 0 367.494 -0.744 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627480577 484925266 /nfs/dbraw/zinc/92/52/66/484925266.db2.gz QVSHDEJWMDCGEF-HUUCEWRRSA-N 2 0 367.494 -0.744 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000627480578 484925037 /nfs/dbraw/zinc/92/50/37/484925037.db2.gz QVSHDEJWMDCGEF-LSDHHAIUSA-N 2 0 367.494 -0.744 20 0 FBADRP C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)C[NH2+]1 ZINC000627480809 484925002 /nfs/dbraw/zinc/92/50/02/484925002.db2.gz UWEOLOJUOHEMHQ-GDBMZVCRSA-N 2 0 352.479 -0.186 20 0 FBADRP C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)C[NH2+]1 ZINC000627480810 484924415 /nfs/dbraw/zinc/92/44/15/484924415.db2.gz UWEOLOJUOHEMHQ-GOEBONIOSA-N 2 0 352.479 -0.186 20 0 FBADRP C[C@H]1CC[C@H](NC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)C[NH2+]1 ZINC000627480811 484924701 /nfs/dbraw/zinc/92/47/01/484924701.db2.gz UWEOLOJUOHEMHQ-HOCLYGCPSA-N 2 0 352.479 -0.186 20 0 FBADRP C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)C[NH2+]1 ZINC000627480812 484924494 /nfs/dbraw/zinc/92/44/94/484924494.db2.gz UWEOLOJUOHEMHQ-ZBFHGGJFSA-N 2 0 352.479 -0.186 20 0 FBADRP C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)C[NH2+]1 ZINC000627480825 484924425 /nfs/dbraw/zinc/92/44/25/484924425.db2.gz VGMOAJZSPMHOSL-DOTOQJQBSA-N 2 0 365.522 -0.271 20 0 FBADRP C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)C[NH2+]1 ZINC000627480826 484924503 /nfs/dbraw/zinc/92/45/03/484924503.db2.gz VGMOAJZSPMHOSL-NVXWUHKLSA-N 2 0 365.522 -0.271 20 0 FBADRP C[C@H]1CC[C@H](NC(=O)C(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)C[NH2+]1 ZINC000627480827 484924752 /nfs/dbraw/zinc/92/47/52/484924752.db2.gz VGMOAJZSPMHOSL-RDJZCZTQSA-N 2 0 365.522 -0.271 20 0 FBADRP C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)C[NH2+]1 ZINC000627480828 484924326 /nfs/dbraw/zinc/92/43/26/484924326.db2.gz VGMOAJZSPMHOSL-WBVHZDCISA-N 2 0 365.522 -0.271 20 0 FBADRP C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C[NH2+]1 ZINC000627480913 484924897 /nfs/dbraw/zinc/92/48/97/484924897.db2.gz WPJWYNOULGQBEZ-ILXRZTDVSA-N 2 0 365.478 -0.992 20 0 FBADRP C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C[NH2+]1 ZINC000627480914 484924481 /nfs/dbraw/zinc/92/44/81/484924481.db2.gz WPJWYNOULGQBEZ-KFWWJZLASA-N 2 0 365.478 -0.992 20 0 FBADRP C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C[NH2+]1 ZINC000627480915 484924861 /nfs/dbraw/zinc/92/48/61/484924861.db2.gz WPJWYNOULGQBEZ-QLFBSQMISA-N 2 0 365.478 -0.992 20 0 FBADRP C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C[NH2+]1 ZINC000627480916 484925279 /nfs/dbraw/zinc/92/52/79/484925279.db2.gz WPJWYNOULGQBEZ-RBSFLKMASA-N 2 0 365.478 -0.992 20 0 FBADRP C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C[NH2+]1 ZINC000627481536 484925232 /nfs/dbraw/zinc/92/52/32/484925232.db2.gz DYCPJUCFYKHORN-BZUAXINKSA-N 2 0 351.495 -0.519 20 0 FBADRP C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)C[NH2+]1 ZINC000627481537 484924944 /nfs/dbraw/zinc/92/49/44/484924944.db2.gz DYCPJUCFYKHORN-OAGGEKHMSA-N 2 0 351.495 -0.519 20 0 FBADRP C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C[NH2+]1 ZINC000627481538 484924805 /nfs/dbraw/zinc/92/48/05/484924805.db2.gz DYCPJUCFYKHORN-OWCLPIDISA-N 2 0 351.495 -0.519 20 0 FBADRP C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)C[NH2+]1 ZINC000627481539 484925076 /nfs/dbraw/zinc/92/50/76/484925076.db2.gz DYCPJUCFYKHORN-PMPSAXMXSA-N 2 0 351.495 -0.519 20 0 FBADRP C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C[NH2+]1 ZINC000627482943 484924518 /nfs/dbraw/zinc/92/45/18/484924518.db2.gz XITCZXSVLHERPJ-HRCADAONSA-N 2 0 352.479 -0.186 20 0 FBADRP C[C@H]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C[NH2+]1 ZINC000627482944 484924449 /nfs/dbraw/zinc/92/44/49/484924449.db2.gz XITCZXSVLHERPJ-JYJNAYRXSA-N 2 0 352.479 -0.186 20 0 FBADRP C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C[NH2+]1 ZINC000627482945 484925060 /nfs/dbraw/zinc/92/50/60/484925060.db2.gz XITCZXSVLHERPJ-OWCLPIDISA-N 2 0 352.479 -0.186 20 0 FBADRP C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C[NH2+]1 ZINC000627482946 484924618 /nfs/dbraw/zinc/92/46/18/484924618.db2.gz XITCZXSVLHERPJ-PMPSAXMXSA-N 2 0 352.479 -0.186 20 0 FBADRP C[C@@H]1CC[C@H](NC(=O)C(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)C[NH2+]1 ZINC000627484297 484926762 /nfs/dbraw/zinc/92/67/62/484926762.db2.gz VWICWPGUSAJBIU-ILXRZTDVSA-N 2 0 352.479 -0.045 20 0 FBADRP C[C@@H]1CC[C@H](NC(=O)C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)C[NH2+]1 ZINC000627484298 484926377 /nfs/dbraw/zinc/92/63/77/484926377.db2.gz VWICWPGUSAJBIU-KFWWJZLASA-N 2 0 352.479 -0.045 20 0 FBADRP C[C@H]1CC[C@H](NC(=O)C(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)C[NH2+]1 ZINC000627484299 484926125 /nfs/dbraw/zinc/92/61/25/484926125.db2.gz VWICWPGUSAJBIU-KKUMJFAQSA-N 2 0 352.479 -0.045 20 0 FBADRP C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)C[NH2+]1 ZINC000627484300 484926630 /nfs/dbraw/zinc/92/66/30/484926630.db2.gz VWICWPGUSAJBIU-QLFBSQMISA-N 2 0 352.479 -0.045 20 0 FBADRP C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)C[NH2+]1 ZINC000627484301 484926466 /nfs/dbraw/zinc/92/64/66/484926466.db2.gz VWICWPGUSAJBIU-RBSFLKMASA-N 2 0 352.479 -0.045 20 0 FBADRP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000627484302 484925736 /nfs/dbraw/zinc/92/57/36/484925736.db2.gz VWICWPGUSAJBIU-RRFJBIMHSA-N 2 0 352.479 -0.045 20 0 FBADRP C[C@H]1CC[C@@H](NC(=O)C(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)C[NH2+]1 ZINC000627484303 484926559 /nfs/dbraw/zinc/92/65/59/484926559.db2.gz VWICWPGUSAJBIU-SOUVJXGZSA-N 2 0 352.479 -0.045 20 0 FBADRP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627484304 484926587 /nfs/dbraw/zinc/92/65/87/484926587.db2.gz VWICWPGUSAJBIU-ZNMIVQPWSA-N 2 0 352.479 -0.045 20 0 FBADRP C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)C[NH2+]1 ZINC000627484467 484926405 /nfs/dbraw/zinc/92/64/05/484926405.db2.gz ZIBPXDQHVVABNX-BRWVUGGUSA-N 2 0 365.522 -0.128 20 0 FBADRP C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)C[NH2+]1 ZINC000627484468 484926390 /nfs/dbraw/zinc/92/63/90/484926390.db2.gz ZIBPXDQHVVABNX-IKGGRYGDSA-N 2 0 365.522 -0.128 20 0 FBADRP C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)C[NH2+]1 ZINC000627484469 484926149 /nfs/dbraw/zinc/92/61/49/484926149.db2.gz ZIBPXDQHVVABNX-IXDOHACOSA-N 2 0 365.522 -0.128 20 0 FBADRP C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)C[NH2+]1 ZINC000627484470 484926237 /nfs/dbraw/zinc/92/62/37/484926237.db2.gz ZIBPXDQHVVABNX-ZACQAIPSSA-N 2 0 365.522 -0.128 20 0 FBADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NCCOCCC[NH3+])CC1 ZINC000627484862 484925668 /nfs/dbraw/zinc/92/56/68/484925668.db2.gz KWOMBNVUFVISAP-INIZCTEOSA-N 2 0 369.510 -0.904 20 0 FBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NCCOCCC[NH3+])CC1 ZINC000627484863 484925794 /nfs/dbraw/zinc/92/57/94/484925794.db2.gz KWOMBNVUFVISAP-MRXNPFEDSA-N 2 0 369.510 -0.904 20 0 FBADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NCCOCCC[NH3+] ZINC000627485085 484925899 /nfs/dbraw/zinc/92/58/99/484925899.db2.gz QSUKRDQAFLZKRO-AWEZNQCLSA-N 2 0 356.467 -0.820 20 0 FBADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NCCOCCC[NH3+] ZINC000627485086 484926165 /nfs/dbraw/zinc/92/61/65/484926165.db2.gz QSUKRDQAFLZKRO-CQSZACIVSA-N 2 0 356.467 -0.820 20 0 FBADRP [NH3+]CCCOCCNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000627486026 484926071 /nfs/dbraw/zinc/92/60/71/484926071.db2.gz QIHGRKCPXXUFEI-HNNXBMFYSA-N 2 0 356.467 -0.961 20 0 FBADRP [NH3+]CCCOCCNC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000627487156 483845632 /nfs/dbraw/zinc/84/56/32/483845632.db2.gz VXINIVNCZQNIBT-UHFFFAOYSA-N 2 0 356.467 -0.961 20 0 FBADRP [NH3+]CCCOCCNC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000627487261 484927721 /nfs/dbraw/zinc/92/77/21/484927721.db2.gz YDHRMGCEVDWBGT-UHFFFAOYSA-N 2 0 356.467 -0.961 20 0 FBADRP CN(C(=O)C(=O)NCCOCCC[NH3+])[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000627488555 484929122 /nfs/dbraw/zinc/92/91/22/484929122.db2.gz BUEZUCLVYLKLSC-INIZCTEOSA-N 2 0 369.510 -0.905 20 0 FBADRP CN(C(=O)C(=O)NCCOCCC[NH3+])[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000627488556 484928799 /nfs/dbraw/zinc/92/87/99/484928799.db2.gz BUEZUCLVYLKLSC-MRXNPFEDSA-N 2 0 369.510 -0.905 20 0 FBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NCCOCCC[NH3+])CC1 ZINC000627488726 484929470 /nfs/dbraw/zinc/92/94/70/484929470.db2.gz HGOBTNOSRSEEHK-UHFFFAOYSA-N 2 0 365.434 -0.780 20 0 FBADRP [NH3+]CCCOCCNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000627489074 484929185 /nfs/dbraw/zinc/92/91/85/484929185.db2.gz QIHGRKCPXXUFEI-OAHLLOKOSA-N 2 0 356.467 -0.961 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)NCCOCCC[NH3+])CC2)c1 ZINC000627489089 484928882 /nfs/dbraw/zinc/92/88/82/484928882.db2.gz QTYBYBVNITWNAK-UHFFFAOYSA-N 2 0 365.434 -0.780 20 0 FBADRP [NH3+]CCCOCCNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000627489331 484929010 /nfs/dbraw/zinc/92/90/10/484929010.db2.gz YUTPVOYERXRVAD-GDBMZVCRSA-N 2 0 352.479 -0.057 20 0 FBADRP [NH3+]CCCOCCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000627489332 484929106 /nfs/dbraw/zinc/92/91/06/484929106.db2.gz YUTPVOYERXRVAD-GOEBONIOSA-N 2 0 352.479 -0.057 20 0 FBADRP [NH3+]CCCOCCNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000627489333 484929199 /nfs/dbraw/zinc/92/91/99/484929199.db2.gz YUTPVOYERXRVAD-HOCLYGCPSA-N 2 0 352.479 -0.057 20 0 FBADRP [NH3+]CCCOCCNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000627489334 484928780 /nfs/dbraw/zinc/92/87/80/484928780.db2.gz YUTPVOYERXRVAD-ZBFHGGJFSA-N 2 0 352.479 -0.057 20 0 FBADRP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)NCCOCCC[NH3+])CC1 ZINC000627489975 484928675 /nfs/dbraw/zinc/92/86/75/484928675.db2.gz PQTGKKQPFCHZKW-UHFFFAOYSA-N 2 0 356.467 -0.819 20 0 FBADRP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)NCCOCCC[NH3+])CC1 ZINC000627490195 484929679 /nfs/dbraw/zinc/92/96/79/484929679.db2.gz WSJHUNSJBMNTCV-UHFFFAOYSA-N 2 0 370.494 -0.429 20 0 FBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@H]1CN(Cc2ccncc2)CCO1 ZINC000627493293 484930587 /nfs/dbraw/zinc/93/05/87/484930587.db2.gz CJNMZYPVZOUPNF-CWRNSKLLSA-N 2 0 361.446 -0.735 20 0 FBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000627493294 484931172 /nfs/dbraw/zinc/93/11/72/484931172.db2.gz CJNMZYPVZOUPNF-NUEKZKHPSA-N 2 0 361.446 -0.735 20 0 FBADRP C[NH2+]CCCN(C)C(=O)C(=O)NC[C@H]1CN(Cc2ccncc2)CCO1 ZINC000627493298 484930540 /nfs/dbraw/zinc/93/05/40/484930540.db2.gz CQCOFJNUZNVOEP-INIZCTEOSA-N 2 0 363.462 -0.534 20 0 FBADRP C[NH2+]CCCN(C)C(=O)C(=O)NC[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000627493299 484931213 /nfs/dbraw/zinc/93/12/13/484931213.db2.gz CQCOFJNUZNVOEP-MRXNPFEDSA-N 2 0 363.462 -0.534 20 0 FBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000627498752 484935452 /nfs/dbraw/zinc/93/54/52/484935452.db2.gz LXGFDIJUTGWCJA-ARFHVFGLSA-N 2 0 351.495 -0.519 20 0 FBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000627498753 484935012 /nfs/dbraw/zinc/93/50/12/484935012.db2.gz LXGFDIJUTGWCJA-HRCADAONSA-N 2 0 351.495 -0.519 20 0 FBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000627499435 484934955 /nfs/dbraw/zinc/93/49/55/484934955.db2.gz MTNZLTLSEXFWTK-JKSUJKDBSA-N 2 0 365.522 -0.081 20 0 FBADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000627499638 484935214 /nfs/dbraw/zinc/93/52/14/484935214.db2.gz UTWKKMXVHQZMFA-LUKYLMHMSA-N 2 0 365.522 -0.130 20 0 FBADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000627499639 484935438 /nfs/dbraw/zinc/93/54/38/484935438.db2.gz UTWKKMXVHQZMFA-VVLHAWIVSA-N 2 0 365.522 -0.130 20 0 FBADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000627499640 484935248 /nfs/dbraw/zinc/93/52/48/484935248.db2.gz UTWKKMXVHQZMFA-WCXIOVBPSA-N 2 0 365.522 -0.130 20 0 FBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000627499760 484935283 /nfs/dbraw/zinc/93/52/83/484935283.db2.gz ZHJUNSAFAKJLMD-PQAIKRCPSA-N 2 0 363.506 -0.378 20 0 FBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000627500152 484935251 /nfs/dbraw/zinc/93/52/51/484935251.db2.gz PTMVAHLTLFPBCV-JKSUJKDBSA-N 2 0 365.522 -0.271 20 0 FBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000627501787 484936790 /nfs/dbraw/zinc/93/67/90/484936790.db2.gz YBTZOBXOPXJCAF-GOEBONIOSA-N 2 0 351.495 -0.661 20 0 FBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000627502003 484936985 /nfs/dbraw/zinc/93/69/85/484936985.db2.gz HBSQKAWFLQVGCS-CAOSSQGBSA-N 2 0 351.495 -0.663 20 0 FBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000627502004 484936266 /nfs/dbraw/zinc/93/62/66/484936266.db2.gz HBSQKAWFLQVGCS-JONQDZQNSA-N 2 0 351.495 -0.663 20 0 FBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000627502005 484936566 /nfs/dbraw/zinc/93/65/66/484936566.db2.gz HBSQKAWFLQVGCS-QKPAOTATSA-N 2 0 351.495 -0.663 20 0 FBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000627502006 484937101 /nfs/dbraw/zinc/93/71/01/484937101.db2.gz HBSQKAWFLQVGCS-QXSJWSMHSA-N 2 0 351.495 -0.663 20 0 FBADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+][C@H]3C)CC2)CC1 ZINC000627502084 484936751 /nfs/dbraw/zinc/93/67/51/484936751.db2.gz JZKYUIMAQQOZLS-DOTOQJQBSA-N 2 0 365.522 -0.130 20 0 FBADRP CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+][C@H]3C)CC2)CC1 ZINC000627502137 484936577 /nfs/dbraw/zinc/93/65/77/484936577.db2.gz LTOBKHSAGRZDKR-DOTOQJQBSA-N 2 0 365.522 -0.130 20 0 FBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000627503259 484936055 /nfs/dbraw/zinc/93/60/55/484936055.db2.gz FGWQDFJGWYRXBL-GOEBONIOSA-N 2 0 352.479 -0.044 20 0 FBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000627503426 484936399 /nfs/dbraw/zinc/93/63/99/484936399.db2.gz MAMWOVITLBJAKI-CWRNSKLLSA-N 2 0 351.495 -0.520 20 0 FBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000627503427 484936437 /nfs/dbraw/zinc/93/64/37/484936437.db2.gz MAMWOVITLBJAKI-NUEKZKHPSA-N 2 0 351.495 -0.520 20 0 FBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000627503523 484937042 /nfs/dbraw/zinc/93/70/42/484937042.db2.gz QCYIRHKQLUOYTB-XJKSGUPXSA-N 2 0 352.479 -0.140 20 0 FBADRP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000627503990 484936227 /nfs/dbraw/zinc/93/62/27/484936227.db2.gz NZUNVBWWSOEHJX-LSDHHAIUSA-N 2 0 352.479 -0.044 20 0 FBADRP CN1CCC(CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)([NH+]2CCCCC2)CC1 ZINC000627504346 484936643 /nfs/dbraw/zinc/93/66/43/484936643.db2.gz KGSHIMARZMSMEZ-OAHLLOKOSA-N 2 0 351.495 -0.469 20 0 FBADRP CN1CC[NH+](CC2(C)CCN(C(=O)C(=O)N[C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000627504711 484936106 /nfs/dbraw/zinc/93/61/06/484936106.db2.gz CGVDNMUWQDCDOH-OAHLLOKOSA-N 2 0 351.495 -0.659 20 0 FBADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000627504927 484936756 /nfs/dbraw/zinc/93/67/56/484936756.db2.gz MEQGDWCVZANPTC-HRCADAONSA-N 2 0 351.495 -0.519 20 0 FBADRP COc1cc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cnc1OC ZINC000627513888 484866178 /nfs/dbraw/zinc/86/61/78/484866178.db2.gz ZMIAPVIFGMOAPN-UHFFFAOYSA-N 2 0 367.450 -0.011 20 0 FBADRP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000627980326 485005611 /nfs/dbraw/zinc/00/56/11/485005611.db2.gz CXPSDGZVNVZJAF-CQSZACIVSA-N 2 0 364.446 -0.122 20 0 FBADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)NCC[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000627980449 485006944 /nfs/dbraw/zinc/00/69/44/485006944.db2.gz JDUHHIZHRHCAJD-OAHLLOKOSA-N 2 0 364.446 -0.252 20 0 FBADRP C[NH+](C)CCOc1cccc(NC(=O)C(=O)NCC[N@@H+]2CC[C@@H](O)C2)c1 ZINC000627980518 485006356 /nfs/dbraw/zinc/00/63/56/485006356.db2.gz MOUHYTLSXOJNKR-OAHLLOKOSA-N 2 0 364.446 -0.252 20 0 FBADRP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000628103423 483722916 /nfs/dbraw/zinc/72/29/16/483722916.db2.gz CXPSDGZVNVZJAF-AWEZNQCLSA-N 2 0 364.446 -0.122 20 0 FBADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CCC([NH+]3CCOCC3)CC2)CC1=O ZINC000628126020 483760730 /nfs/dbraw/zinc/76/07/30/483760730.db2.gz YXSXLWTUQZAFPF-HNNXBMFYSA-N 2 0 352.479 -0.280 20 0 FBADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCC([NH+]3CCOCC3)CC2)CC1=O ZINC000628126021 483760642 /nfs/dbraw/zinc/76/06/42/483760642.db2.gz YXSXLWTUQZAFPF-OAHLLOKOSA-N 2 0 352.479 -0.280 20 0 FBADRP C[NH+]1CCN(c2cccc(C(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)n2)CC1 ZINC000628584880 485355714 /nfs/dbraw/zinc/35/57/14/485355714.db2.gz YBNKDPSDDTXGHP-INIZCTEOSA-N 2 0 374.489 -0.097 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC[NH+]2CC[C@@H](O)C2)CC1=O ZINC000629173506 661766344 /nfs/dbraw/zinc/76/63/44/661766344.db2.gz HRLJGXGGAULJTD-ARFHVFGLSA-N 2 0 352.479 -0.498 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC[NH+]2CC[C@@H](O)C2)CC1=O ZINC000629173507 661766224 /nfs/dbraw/zinc/76/62/24/661766224.db2.gz HRLJGXGGAULJTD-BZUAXINKSA-N 2 0 352.479 -0.498 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCC[NH+]2CC[C@@H](O)C2)CC1=O ZINC000629173508 661766388 /nfs/dbraw/zinc/76/63/88/661766388.db2.gz HRLJGXGGAULJTD-HRCADAONSA-N 2 0 352.479 -0.498 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCC[NH+]2CC[C@@H](O)C2)CC1=O ZINC000629173509 661766297 /nfs/dbraw/zinc/76/62/97/661766297.db2.gz HRLJGXGGAULJTD-OWCLPIDISA-N 2 0 352.479 -0.498 20 0 FBADRP CN(C)S(=O)(=O)CC[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000629552419 484381715 /nfs/dbraw/zinc/38/17/15/484381715.db2.gz JOCAXBQTNPLXLI-AWEZNQCLSA-N 2 0 370.523 -0.110 20 0 FBADRP CN(C)S(=O)(=O)CC[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000629552420 484381670 /nfs/dbraw/zinc/38/16/70/484381670.db2.gz JOCAXBQTNPLXLI-CQSZACIVSA-N 2 0 370.523 -0.110 20 0 FBADRP Cn1cc(S(=O)(=O)N2CCC([NH2+]C[C@H](O)C[NH+]3CCCC3)CC2)cn1 ZINC000629567528 484384276 /nfs/dbraw/zinc/38/42/76/484384276.db2.gz YDKJPLLYZMCYIE-HNNXBMFYSA-N 2 0 371.507 -0.381 20 0 FBADRP Cn1cc(S(=O)(=O)N2CCC([NH2+]C[C@@H](O)C[NH+]3CCCC3)CC2)cn1 ZINC000629567529 484383155 /nfs/dbraw/zinc/38/31/55/484383155.db2.gz YDKJPLLYZMCYIE-OAHLLOKOSA-N 2 0 371.507 -0.381 20 0 FBADRP C[NH2+]CCOCC[N@H+](C)[C@@H](C)C(=O)N1CCN(c2ncccn2)CC1 ZINC000629570722 484386089 /nfs/dbraw/zinc/38/60/89/484386089.db2.gz LWQQGPJXUOPIJR-HNNXBMFYSA-N 2 0 350.467 -0.319 20 0 FBADRP C[NH2+]CCOCC[N@H+](C)[C@H](C)C(=O)N1CCN(c2ncccn2)CC1 ZINC000629570729 484385929 /nfs/dbraw/zinc/38/59/29/484385929.db2.gz LWQQGPJXUOPIJR-OAHLLOKOSA-N 2 0 350.467 -0.319 20 0 FBADRP C[NH2+]CCOCC[N@H+](C)CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000629571042 484385381 /nfs/dbraw/zinc/38/53/81/484385381.db2.gz OURQXOPYRDCZRL-UHFFFAOYSA-N 2 0 350.467 -0.317 20 0 FBADRP C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+](C)CCOCC[NH3+] ZINC000629575899 484389897 /nfs/dbraw/zinc/38/98/97/484389897.db2.gz PTUTXFTWFUCEIR-AWEZNQCLSA-N 2 0 352.435 -0.140 20 0 FBADRP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+](C)CCOCC[NH3+] ZINC000629575903 484389050 /nfs/dbraw/zinc/38/90/50/484389050.db2.gz PTUTXFTWFUCEIR-CQSZACIVSA-N 2 0 352.435 -0.140 20 0 FBADRP C[C@@H](NC(=O)[C@@H](C)[N@H+](C)CCOCC[NH3+])c1ccc(S(N)(=O)=O)cc1 ZINC000629580783 484393340 /nfs/dbraw/zinc/39/33/40/484393340.db2.gz YVSOERFPVLYEJL-CHWSQXEVSA-N 2 0 372.491 -0.193 20 0 FBADRP C[C@@H](NC(=O)[C@H](C)[N@H+](C)CCOCC[NH3+])c1ccc(S(N)(=O)=O)cc1 ZINC000629580784 484393239 /nfs/dbraw/zinc/39/32/39/484393239.db2.gz YVSOERFPVLYEJL-OLZOCXBDSA-N 2 0 372.491 -0.193 20 0 FBADRP C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)[N@H+](C)CCOCC[NH3+] ZINC000629580785 484393320 /nfs/dbraw/zinc/39/33/20/484393320.db2.gz YVSOERFPVLYEJL-QWHCGFSZSA-N 2 0 372.491 -0.193 20 0 FBADRP C[C@H](NC(=O)[C@H](C)[N@H+](C)CCOCC[NH3+])c1ccc(S(N)(=O)=O)cc1 ZINC000629580786 484393304 /nfs/dbraw/zinc/39/33/04/484393304.db2.gz YVSOERFPVLYEJL-STQMWFEESA-N 2 0 372.491 -0.193 20 0 FBADRP CN(CCOCC[NH3+])C(=O)C(=O)N1CCN(Cc2cccs2)CC1 ZINC000629785855 484433856 /nfs/dbraw/zinc/43/38/56/484433856.db2.gz FXVUSBBNBSGSQZ-UHFFFAOYSA-N 2 0 354.476 -0.174 20 0 FBADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)N1CCN(C[C@H]3CCCO3)CC1)C2 ZINC000629786055 484434466 /nfs/dbraw/zinc/43/44/66/484434466.db2.gz JDOBMQPFVQJRKT-LZQZEXGQSA-N 2 0 364.490 -0.232 20 0 FBADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)N1CCN(C[C@@H]3CCCO3)CC1)C2 ZINC000629786056 484434666 /nfs/dbraw/zinc/43/46/66/484434666.db2.gz JDOBMQPFVQJRKT-ZYSHUDEJSA-N 2 0 364.490 -0.232 20 0 FBADRP CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)N(CC)CC[NH3+])CC1 ZINC000629787478 484433291 /nfs/dbraw/zinc/43/32/91/484433291.db2.gz DXYLRNJHROKXBS-UHFFFAOYSA-N 2 0 355.483 -0.804 20 0 FBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000629789510 484433039 /nfs/dbraw/zinc/43/30/39/484433039.db2.gz SWVGQSZLKJMNEG-UHFFFAOYSA-N 2 0 370.494 -0.748 20 0 FBADRP CN(CCOCC[NH3+])C(=O)C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000629795070 484436031 /nfs/dbraw/zinc/43/60/31/484436031.db2.gz UQLMOEWKOZMZLL-UHFFFAOYSA-N 2 0 370.494 -0.619 20 0 FBADRP CCN(CC[NH3+])C(=O)C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000629795660 484436045 /nfs/dbraw/zinc/43/60/45/484436045.db2.gz ZXYCFNLGPGZGFB-HOTGVXAUSA-N 2 0 353.511 -0.189 20 0 FBADRP CN(CCOCC[NH3+])C(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000629795661 484436155 /nfs/dbraw/zinc/43/61/55/484436155.db2.gz KQXSWUFJEFPXDD-INIZCTEOSA-N 2 0 369.510 -0.953 20 0 FBADRP CCN(CC[NH3+])C(=O)C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000629795662 484436105 /nfs/dbraw/zinc/43/61/05/484436105.db2.gz ZXYCFNLGPGZGFB-HZPDHXFCSA-N 2 0 353.511 -0.189 20 0 FBADRP CCN(CC[NH3+])C(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000629795665 484436134 /nfs/dbraw/zinc/43/61/34/484436134.db2.gz ZXYCFNLGPGZGFB-IYBDPMFKSA-N 2 0 353.511 -0.189 20 0 FBADRP CN(CCOCC[NH3+])C(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000629795672 484435894 /nfs/dbraw/zinc/43/58/94/484435894.db2.gz KQXSWUFJEFPXDD-MRXNPFEDSA-N 2 0 369.510 -0.953 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629796112 484433782 /nfs/dbraw/zinc/43/37/82/484433782.db2.gz OQQDLMYLOQMITK-HDICACEKSA-N 3 0 353.511 -0.604 20 0 FBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629796283 484435160 /nfs/dbraw/zinc/43/51/60/484435160.db2.gz ILIVXNNXBYWVKF-KDURUIRLSA-N 2 0 365.522 -0.460 20 0 FBADRP CN(CCOCC[NH3+])C(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000629796403 484439256 /nfs/dbraw/zinc/43/92/56/484439256.db2.gz JLHHPSYZDJNMRE-INIZCTEOSA-N 2 0 369.510 -0.951 20 0 FBADRP CN(CCOCC[NH3+])C(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000629796407 484439060 /nfs/dbraw/zinc/43/90/60/484439060.db2.gz JLHHPSYZDJNMRE-MRXNPFEDSA-N 2 0 369.510 -0.951 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N(C)CCOCC[NH3+])CC2)c1 ZINC000629796513 484439187 /nfs/dbraw/zinc/43/91/87/484439187.db2.gz RKCFSRFYYCFXFD-UHFFFAOYSA-N 2 0 365.434 -0.828 20 0 FBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000629797118 484439330 /nfs/dbraw/zinc/43/93/30/484439330.db2.gz ARAPFYLGBFMHAC-MRXNPFEDSA-N 2 0 370.494 -0.748 20 0 FBADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC1 ZINC000629797736 484436577 /nfs/dbraw/zinc/43/65/77/484436577.db2.gz PMUWKJHWILNJEP-KDURUIRLSA-N 2 0 366.506 -0.250 20 0 FBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000629798245 484436091 /nfs/dbraw/zinc/43/60/91/484436091.db2.gz WIHRXKKWJJEFAC-UHFFFAOYSA-N 2 0 370.494 -0.748 20 0 FBADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N(C)CCOCC[NH3+] ZINC000629798409 484437347 /nfs/dbraw/zinc/43/73/47/484437347.db2.gz JQWDZLWQKUMIOM-CQSZACIVSA-N 2 0 356.467 -0.868 20 0 FBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000629799395 484437195 /nfs/dbraw/zinc/43/71/95/484437195.db2.gz PIRWQRSPMVYHFG-OAHLLOKOSA-N 2 0 370.494 -0.608 20 0 FBADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N(C)CCOCC[NH3+] ZINC000629799584 484437579 /nfs/dbraw/zinc/43/75/79/484437579.db2.gz JQWDZLWQKUMIOM-AWEZNQCLSA-N 2 0 356.467 -0.868 20 0 FBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N(C)CCOCC[NH3+])CC1 ZINC000629800071 484437489 /nfs/dbraw/zinc/43/74/89/484437489.db2.gz XFKGDLAXFHTVRD-UHFFFAOYSA-N 2 0 365.434 -0.828 20 0 FBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000629800150 484438208 /nfs/dbraw/zinc/43/82/08/484438208.db2.gz PIRWQRSPMVYHFG-HNNXBMFYSA-N 2 0 370.494 -0.608 20 0 FBADRP CN(CCOCC[NH3+])C(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000629800539 484438371 /nfs/dbraw/zinc/43/83/71/484438371.db2.gz WIVLTJRLKOHNHJ-UHFFFAOYSA-N 2 0 370.494 -0.477 20 0 FBADRP CCN(CC[NH3+])C(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000629800995 484438455 /nfs/dbraw/zinc/43/84/55/484438455.db2.gz GCDMDOTUJWSLLA-XYPWUTKMSA-N 2 0 351.495 -0.437 20 0 FBADRP CCN(CC[NH3+])C(=O)C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000629801278 484438082 /nfs/dbraw/zinc/43/80/82/484438082.db2.gz JFUVAGNJNLMHJV-UHFFFAOYSA-N 2 0 353.511 -0.330 20 0 FBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000629801486 484438060 /nfs/dbraw/zinc/43/80/60/484438060.db2.gz GQDHLVDBTLEUKP-INIZCTEOSA-N 2 0 354.495 -0.129 20 0 FBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000629801487 484438203 /nfs/dbraw/zinc/43/82/03/484438203.db2.gz GQDHLVDBTLEUKP-MRXNPFEDSA-N 2 0 354.495 -0.129 20 0 FBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000629801577 484438094 /nfs/dbraw/zinc/43/80/94/484438094.db2.gz ARAPFYLGBFMHAC-INIZCTEOSA-N 2 0 370.494 -0.748 20 0 FBADRP CCN(CC[NH3+])C(=O)C(=O)N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC000629801794 484438311 /nfs/dbraw/zinc/43/83/11/484438311.db2.gz IYIIYFIQTMDVCB-UHFFFAOYSA-N 2 0 353.511 -0.189 20 0 FBADRP CCN(CC[NH3+])C(=O)C(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000629803164 484440162 /nfs/dbraw/zinc/44/01/62/484440162.db2.gz QYJRWSTYWGTUSW-UHFFFAOYSA-N 2 0 353.511 -0.189 20 0 FBADRP CN(CCOCC[NH3+])C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000629804376 484440288 /nfs/dbraw/zinc/44/02/88/484440288.db2.gz TYSVUTJJKSBJAZ-GDBMZVCRSA-N 2 0 352.479 -0.105 20 0 FBADRP CN(CCOCC[NH3+])C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000629804383 484440027 /nfs/dbraw/zinc/44/00/27/484440027.db2.gz TYSVUTJJKSBJAZ-GOEBONIOSA-N 2 0 352.479 -0.105 20 0 FBADRP CN(CCOCC[NH3+])C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000629804386 484440208 /nfs/dbraw/zinc/44/02/08/484440208.db2.gz TYSVUTJJKSBJAZ-HOCLYGCPSA-N 2 0 352.479 -0.105 20 0 FBADRP CN(CCOCC[NH3+])C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000629804388 484440050 /nfs/dbraw/zinc/44/00/50/484440050.db2.gz TYSVUTJJKSBJAZ-ZBFHGGJFSA-N 2 0 352.479 -0.105 20 0 FBADRP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000629805730 484440970 /nfs/dbraw/zinc/44/09/70/484440970.db2.gz DCDYYBNOVQBGDR-HUUCEWRRSA-N 2 0 370.469 -0.013 20 0 FBADRP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CCC[NH2+]CC2)CC1 ZINC000629805764 484441080 /nfs/dbraw/zinc/44/10/80/484441080.db2.gz SFCSGKIBXFYGRP-UHFFFAOYSA-N 2 0 352.479 -0.088 20 0 FBADRP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2C)CC1 ZINC000629806134 484440813 /nfs/dbraw/zinc/44/08/13/484440813.db2.gz VFEWQHVJJILUMJ-HNNXBMFYSA-N 2 0 352.479 -0.090 20 0 FBADRP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2C)CC1 ZINC000629806135 484441379 /nfs/dbraw/zinc/44/13/79/484441379.db2.gz VFEWQHVJJILUMJ-OAHLLOKOSA-N 2 0 352.479 -0.090 20 0 FBADRP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CC[C@@H](C[NH3+])C2)CC1 ZINC000629806774 484441013 /nfs/dbraw/zinc/44/10/13/484441013.db2.gz YNRXZTHEGKKPSB-HNNXBMFYSA-N 2 0 352.479 -0.103 20 0 FBADRP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CC[C@H](C[NH3+])C2)CC1 ZINC000629806776 484441028 /nfs/dbraw/zinc/44/10/28/484441028.db2.gz YNRXZTHEGKKPSB-OAHLLOKOSA-N 2 0 352.479 -0.103 20 0 FBADRP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)CC1 ZINC000629807134 484442465 /nfs/dbraw/zinc/44/24/65/484442465.db2.gz AOUGWOXJWPBTJH-HNNXBMFYSA-N 2 0 352.479 -0.090 20 0 FBADRP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CC[NH2+][C@H](C)C2)CC1 ZINC000629807139 484442283 /nfs/dbraw/zinc/44/22/83/484442283.db2.gz AOUGWOXJWPBTJH-OAHLLOKOSA-N 2 0 352.479 -0.090 20 0 FBADRP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC000629808421 484442107 /nfs/dbraw/zinc/44/21/07/484442107.db2.gz HMFNBZBDBTUJSU-HUUCEWRRSA-N 2 0 352.479 -0.105 20 0 FBADRP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000629809985 484444204 /nfs/dbraw/zinc/44/42/04/484444204.db2.gz VZFXJWNQIAYQQI-IYBDPMFKSA-N 2 0 364.490 -0.232 20 0 FBADRP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000629810115 484444267 /nfs/dbraw/zinc/44/42/67/484444267.db2.gz WNLRKRQOMOLDMW-HNNXBMFYSA-N 2 0 368.478 -0.724 20 0 FBADRP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000629810116 484444345 /nfs/dbraw/zinc/44/43/45/484444345.db2.gz WNLRKRQOMOLDMW-OAHLLOKOSA-N 2 0 368.478 -0.724 20 0 FBADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000629811985 484442564 /nfs/dbraw/zinc/44/25/64/484442564.db2.gz IZTKQWABEYQQOI-INIZCTEOSA-N 2 0 354.495 -0.252 20 0 FBADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000629811988 484442885 /nfs/dbraw/zinc/44/28/85/484442885.db2.gz IZTKQWABEYQQOI-MRXNPFEDSA-N 2 0 354.495 -0.252 20 0 FBADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000629813384 484446685 /nfs/dbraw/zinc/44/66/85/484446685.db2.gz YKJFJHLYQYFNFV-KRWDZBQOSA-N 2 0 367.538 -0.073 20 0 FBADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000629813385 484447201 /nfs/dbraw/zinc/44/72/01/484447201.db2.gz YKJFJHLYQYFNFV-QGZVFWFLSA-N 2 0 367.538 -0.073 20 0 FBADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C ZINC000629815658 484445615 /nfs/dbraw/zinc/44/56/15/484445615.db2.gz RMHIVHSIXUHIEN-INIZCTEOSA-N 2 0 355.527 -0.215 20 0 FBADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C ZINC000629815659 484445212 /nfs/dbraw/zinc/44/52/12/484445212.db2.gz RMHIVHSIXUHIEN-MRXNPFEDSA-N 2 0 355.527 -0.215 20 0 FBADRP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)CC1 ZINC000629815972 484445170 /nfs/dbraw/zinc/44/51/70/484445170.db2.gz CNZMEWUTRJGCPO-CVEARBPZSA-N 2 0 364.490 -0.090 20 0 FBADRP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)CC1 ZINC000629815973 484445944 /nfs/dbraw/zinc/44/59/44/484445944.db2.gz CNZMEWUTRJGCPO-HOTGVXAUSA-N 2 0 364.490 -0.090 20 0 FBADRP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000629815974 484445148 /nfs/dbraw/zinc/44/51/48/484445148.db2.gz CNZMEWUTRJGCPO-HZPDHXFCSA-N 2 0 364.490 -0.090 20 0 FBADRP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000629815975 484445769 /nfs/dbraw/zinc/44/57/69/484445769.db2.gz CNZMEWUTRJGCPO-JKSUJKDBSA-N 2 0 364.490 -0.090 20 0 FBADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000629816080 484444777 /nfs/dbraw/zinc/44/47/77/484444777.db2.gz UUZRCNSZSBVMJL-DLBZAZTESA-N 2 0 365.522 -0.319 20 0 FBADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000629816081 484445279 /nfs/dbraw/zinc/44/52/79/484445279.db2.gz UUZRCNSZSBVMJL-IAGOWNOFSA-N 2 0 365.522 -0.319 20 0 FBADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000629816082 484446182 /nfs/dbraw/zinc/44/61/82/484446182.db2.gz UUZRCNSZSBVMJL-IRXDYDNUSA-N 2 0 365.522 -0.319 20 0 FBADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000629816083 484445907 /nfs/dbraw/zinc/44/59/07/484445907.db2.gz UUZRCNSZSBVMJL-SJORKVTESA-N 2 0 365.522 -0.319 20 0 FBADRP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)CC1 ZINC000629816751 484446063 /nfs/dbraw/zinc/44/60/63/484446063.db2.gz IIPKFIVUNLBXCR-HNNXBMFYSA-N 2 0 368.478 -0.724 20 0 FBADRP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)CC1 ZINC000629816752 484444958 /nfs/dbraw/zinc/44/49/58/484444958.db2.gz IIPKFIVUNLBXCR-OAHLLOKOSA-N 2 0 368.478 -0.724 20 0 FBADRP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000629817147 484448355 /nfs/dbraw/zinc/44/83/55/484448355.db2.gz KRFOCUPKXNWZBL-IBGZPJMESA-N 2 0 364.490 -0.088 20 0 FBADRP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000629817148 484448329 /nfs/dbraw/zinc/44/83/29/484448329.db2.gz KRFOCUPKXNWZBL-LJQANCHMSA-N 2 0 364.490 -0.088 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)C[C@H](C)[NH2+]1 ZINC000629817150 484448866 /nfs/dbraw/zinc/44/88/66/484448866.db2.gz KXQUXVXHSYIMBL-GASCZTMLSA-N 2 0 352.479 -0.092 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)C[C@H](C)[NH2+]1 ZINC000629817151 484448611 /nfs/dbraw/zinc/44/86/11/484448611.db2.gz KXQUXVXHSYIMBL-GJZGRUSLSA-N 2 0 352.479 -0.092 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)C[C@@H](C)[NH2+]1 ZINC000629817152 484448396 /nfs/dbraw/zinc/44/83/96/484448396.db2.gz KXQUXVXHSYIMBL-HUUCEWRRSA-N 2 0 352.479 -0.092 20 0 FBADRP C[C@@]1(C[NH3+])CCN(C(=O)C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)C1 ZINC000629817178 484449200 /nfs/dbraw/zinc/44/92/00/484449200.db2.gz LLBDBOPIHJLNJH-KRWDZBQOSA-N 2 0 352.479 -0.103 20 0 FBADRP C[C@]1(C[NH3+])CCN(C(=O)C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)C1 ZINC000629817180 484449152 /nfs/dbraw/zinc/44/91/52/484449152.db2.gz LLBDBOPIHJLNJH-QGZVFWFLSA-N 2 0 352.479 -0.103 20 0 FBADRP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)C1 ZINC000629817188 484448580 /nfs/dbraw/zinc/44/85/80/484448580.db2.gz LMODGTSCLWYVJE-HNNXBMFYSA-N 2 0 352.479 -0.090 20 0 FBADRP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)C1 ZINC000629817190 484448144 /nfs/dbraw/zinc/44/81/44/484448144.db2.gz LMODGTSCLWYVJE-OAHLLOKOSA-N 2 0 352.479 -0.090 20 0 FBADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)C1 ZINC000629817548 484446726 /nfs/dbraw/zinc/44/67/26/484446726.db2.gz QBYIKWINKJZLDD-CABCVRRESA-N 2 0 352.479 -0.105 20 0 FBADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)C1 ZINC000629817549 484447340 /nfs/dbraw/zinc/44/73/40/484447340.db2.gz QBYIKWINKJZLDD-GJZGRUSLSA-N 2 0 352.479 -0.105 20 0 FBADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)C1 ZINC000629817550 484446864 /nfs/dbraw/zinc/44/68/64/484446864.db2.gz QBYIKWINKJZLDD-HUUCEWRRSA-N 2 0 352.479 -0.105 20 0 FBADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)C1 ZINC000629817551 484447438 /nfs/dbraw/zinc/44/74/38/484447438.db2.gz QBYIKWINKJZLDD-LSDHHAIUSA-N 2 0 352.479 -0.105 20 0 FBADRP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000629817583 484446570 /nfs/dbraw/zinc/44/65/70/484446570.db2.gz QTPAZBCXGKKDFY-CVEARBPZSA-N 2 0 364.490 -0.090 20 0 FBADRP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000629817584 484447505 /nfs/dbraw/zinc/44/75/05/484447505.db2.gz QTPAZBCXGKKDFY-HOTGVXAUSA-N 2 0 364.490 -0.090 20 0 FBADRP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000629817585 484447041 /nfs/dbraw/zinc/44/70/41/484447041.db2.gz QTPAZBCXGKKDFY-HZPDHXFCSA-N 2 0 364.490 -0.090 20 0 FBADRP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000629817586 484447418 /nfs/dbraw/zinc/44/74/18/484447418.db2.gz QTPAZBCXGKKDFY-JKSUJKDBSA-N 2 0 364.490 -0.090 20 0 FBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)CCO1 ZINC000629817589 484447570 /nfs/dbraw/zinc/44/75/70/484447570.db2.gz RAUQNTPRCNJFND-CABCVRRESA-N 2 0 368.478 -0.726 20 0 FBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)CCO1 ZINC000629817590 484446967 /nfs/dbraw/zinc/44/69/67/484446967.db2.gz RAUQNTPRCNJFND-GJZGRUSLSA-N 2 0 368.478 -0.726 20 0 FBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)CCO1 ZINC000629817591 484447127 /nfs/dbraw/zinc/44/71/27/484447127.db2.gz RAUQNTPRCNJFND-HUUCEWRRSA-N 2 0 368.478 -0.726 20 0 FBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)CCO1 ZINC000629817592 484447517 /nfs/dbraw/zinc/44/75/17/484447517.db2.gz RAUQNTPRCNJFND-LSDHHAIUSA-N 2 0 368.478 -0.726 20 0 FBADRP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CCC(C[NH3+])CC2)CC1 ZINC000629817638 484447095 /nfs/dbraw/zinc/44/70/95/484447095.db2.gz SALABZWZEPRYEM-UHFFFAOYSA-N 2 0 352.479 -0.103 20 0 FBADRP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000629817813 484447371 /nfs/dbraw/zinc/44/73/71/484447371.db2.gz YVNOCXZABKNQBO-GASCZTMLSA-N 2 0 350.463 -0.623 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)CC[C@@H]1[NH3+] ZINC000629817828 484446591 /nfs/dbraw/zinc/44/65/91/484446591.db2.gz ZDIDFAZDZQBKRS-CABCVRRESA-N 2 0 352.479 -0.105 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)CC[C@@H]1[NH3+] ZINC000629817829 484446776 /nfs/dbraw/zinc/44/67/76/484446776.db2.gz ZDIDFAZDZQBKRS-GJZGRUSLSA-N 2 0 352.479 -0.105 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)CC[C@H]1[NH3+] ZINC000629817830 484447054 /nfs/dbraw/zinc/44/70/54/484447054.db2.gz ZDIDFAZDZQBKRS-HUUCEWRRSA-N 2 0 352.479 -0.105 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)CC[C@H]1[NH3+] ZINC000629817831 484446850 /nfs/dbraw/zinc/44/68/50/484446850.db2.gz ZDIDFAZDZQBKRS-LSDHHAIUSA-N 2 0 352.479 -0.105 20 0 FBADRP CN(CCOCC[NH3+])C(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000629817933 484447543 /nfs/dbraw/zinc/44/75/43/484447543.db2.gz CPSIAMMKYJDJNU-UHFFFAOYSA-N 2 0 356.467 -0.867 20 0 FBADRP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000629818141 484447180 /nfs/dbraw/zinc/44/71/80/484447180.db2.gz KDSYBHSLEUUXJZ-UHFFFAOYSA-N 2 0 350.463 -0.351 20 0 FBADRP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000629818227 484447068 /nfs/dbraw/zinc/44/70/68/484447068.db2.gz MRTZXMBOXYZTCA-ZIAGYGMSSA-N 2 0 356.442 -0.403 20 0 FBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000629818266 484446639 /nfs/dbraw/zinc/44/66/39/484446639.db2.gz NNFFAUKXQOJMOL-UHFFFAOYSA-N 2 0 370.494 -0.606 20 0 FBADRP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N(C)CCOCC[NH3+])CC1 ZINC000629820063 484448504 /nfs/dbraw/zinc/44/85/04/484448504.db2.gz VCUKIQKAAWWLCH-UHFFFAOYSA-N 2 0 370.494 -0.477 20 0 FBADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629823240 484449903 /nfs/dbraw/zinc/44/99/03/484449903.db2.gz XMWGBKYMZQVGHG-KDURUIRLSA-N 2 0 367.538 -0.214 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCC[NH+]2CC[C@H](O)C2)CC1=O ZINC000629913169 484474629 /nfs/dbraw/zinc/47/46/29/484474629.db2.gz HRLJGXGGAULJTD-JYJNAYRXSA-N 2 0 352.479 -0.498 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC[NH+]2CC[C@H](O)C2)CC1=O ZINC000629913170 484474607 /nfs/dbraw/zinc/47/46/07/484474607.db2.gz HRLJGXGGAULJTD-OAGGEKHMSA-N 2 0 352.479 -0.498 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCC[NH+]2CC[C@H](O)C2)CC1=O ZINC000629913171 484474666 /nfs/dbraw/zinc/47/46/66/484474666.db2.gz HRLJGXGGAULJTD-PMPSAXMXSA-N 2 0 352.479 -0.498 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC[NH+]2CC[C@H](O)C2)CC1=O ZINC000629913172 484474443 /nfs/dbraw/zinc/47/44/43/484474443.db2.gz HRLJGXGGAULJTD-XHSDSOJGSA-N 2 0 352.479 -0.498 20 0 FBADRP COCC[N@H+](C)CCN1C[C@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)CC1=O ZINC000629993979 484544843 /nfs/dbraw/zinc/54/48/43/484544843.db2.gz RXJWGIOOARGAIF-RBSFLKMASA-N 2 0 363.462 -0.181 20 0 FBADRP COCC[N@H+](C)CCN1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)CC1=O ZINC000629993986 484544084 /nfs/dbraw/zinc/54/40/84/484544084.db2.gz RXJWGIOOARGAIF-RRFJBIMHSA-N 2 0 363.462 -0.181 20 0 FBADRP C[NH+](C)CCN1C(=O)C[C@H](N2CCC(C)([NH+]3CCOCC3)CC2)C1=O ZINC000630382301 484660397 /nfs/dbraw/zinc/66/03/97/484660397.db2.gz GSEATXVJWRZFBM-HNNXBMFYSA-N 2 0 352.479 -0.138 20 0 FBADRP C[NH+](C)CCN1C(=O)C[C@@H](N2CCC(C)([NH+]3CCOCC3)CC2)C1=O ZINC000630382304 484660184 /nfs/dbraw/zinc/66/01/84/484660184.db2.gz GSEATXVJWRZFBM-OAHLLOKOSA-N 2 0 352.479 -0.138 20 0 FBADRP O=C(CN1CC[NH2+]CC1)NCc1cn(CCC[NH+]2CCSCC2)nn1 ZINC000630590211 484737651 /nfs/dbraw/zinc/73/76/51/484737651.db2.gz XSFKUPKGCJJENO-UHFFFAOYSA-N 2 0 367.523 -0.762 20 0 FBADRP CN(CCC[NH+](C)C)CCn1cc(CNC(=O)C2CC[NH2+]CC2)nn1 ZINC000630611239 484740699 /nfs/dbraw/zinc/74/06/99/484740699.db2.gz BXDOVNWCXJATNH-UHFFFAOYSA-N 2 0 351.499 -0.223 20 0 FBADRP C[NH+](C)CCn1cc(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cn1 ZINC000630897809 484333455 /nfs/dbraw/zinc/33/34/55/484333455.db2.gz KTOPOCWDYRCAIA-AWEZNQCLSA-N 2 0 350.467 -0.238 20 0 FBADRP C[NH+](C)CCn1cc(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cn1 ZINC000630897811 484333670 /nfs/dbraw/zinc/33/36/70/484333670.db2.gz KTOPOCWDYRCAIA-CQSZACIVSA-N 2 0 350.467 -0.238 20 0 FBADRP C[NH+](C)CCn1cc(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cn1 ZINC000630922464 484362596 /nfs/dbraw/zinc/36/25/96/484362596.db2.gz PKZUNKMXPLFZQL-UHFFFAOYSA-N 2 0 362.478 -0.175 20 0 FBADRP C[NH+](C)CCn1cc(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)cn1 ZINC000631325034 485012077 /nfs/dbraw/zinc/01/20/77/485012077.db2.gz LPYHZGRPEJDBLL-KRWDZBQOSA-N 2 0 364.494 -0.419 20 0 FBADRP C[NH+](C)CCn1cc(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)cn1 ZINC000631325035 485011359 /nfs/dbraw/zinc/01/13/59/485011359.db2.gz LPYHZGRPEJDBLL-QGZVFWFLSA-N 2 0 364.494 -0.419 20 0 FBADRP CN(C)CCN(C(=O)c1cnn(CC[NH+](C)C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000631645111 485014201 /nfs/dbraw/zinc/01/42/01/485014201.db2.gz ZXNZIAZBGABFQK-HNNXBMFYSA-N 2 0 371.507 -0.364 20 0 FBADRP CN(C)CCN(C(=O)c1cnn(CC[NH+](C)C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000631645114 485014934 /nfs/dbraw/zinc/01/49/34/485014934.db2.gz ZXNZIAZBGABFQK-OAHLLOKOSA-N 2 0 371.507 -0.364 20 0 FBADRP CN1CCO[C@H](CS(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C1 ZINC000631645240 485014879 /nfs/dbraw/zinc/01/48/79/485014879.db2.gz NOWRPWCREIUNRA-INIZCTEOSA-N 3 0 364.556 -0.148 20 0 FBADRP CN1CCO[C@@H](CS(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C1 ZINC000631645241 485014253 /nfs/dbraw/zinc/01/42/53/485014253.db2.gz NOWRPWCREIUNRA-MRXNPFEDSA-N 3 0 364.556 -0.148 20 0 FBADRP CC[NH2+]CC1CC[NH+](CC(=O)NC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000631821871 485021779 /nfs/dbraw/zinc/02/17/79/485021779.db2.gz LNKVJFLGBQASJT-UHFFFAOYSA-N 2 0 360.524 -0.152 20 0 FBADRP C[NH2+]CCC1CC[NH+](CC(=O)NC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000631823496 485022721 /nfs/dbraw/zinc/02/27/21/485022721.db2.gz FZTDOGUZNBCIKI-UHFFFAOYSA-N 2 0 360.524 -0.152 20 0 FBADRP CS(=O)(=O)N1CCC(NC(=O)C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000631826549 485022851 /nfs/dbraw/zinc/02/28/51/485022851.db2.gz QPCGZDVYKPXUBU-HNNXBMFYSA-N 2 0 372.535 -0.152 20 0 FBADRP CS(=O)(=O)N1CCC(NC(=O)C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000631826550 485022080 /nfs/dbraw/zinc/02/20/80/485022080.db2.gz QPCGZDVYKPXUBU-OAHLLOKOSA-N 2 0 372.535 -0.152 20 0 FBADRP CS(=O)(=O)N1CCC(NC(=O)C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000631827105 485022361 /nfs/dbraw/zinc/02/23/61/485022361.db2.gz FMXIKWMQSIJJLV-INIZCTEOSA-N 2 0 372.535 -0.009 20 0 FBADRP CS(=O)(=O)N1CCC(NC(=O)C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)CC1 ZINC000631827106 485022980 /nfs/dbraw/zinc/02/29/80/485022980.db2.gz FMXIKWMQSIJJLV-MRXNPFEDSA-N 2 0 372.535 -0.009 20 0 FBADRP CS(=O)(=O)N1CCC(NC(=O)C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000631827335 485022480 /nfs/dbraw/zinc/02/24/80/485022480.db2.gz LVLPECCCODMNST-CABCVRRESA-N 2 0 372.535 -0.152 20 0 FBADRP CS(=O)(=O)N1CCC(NC(=O)C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000631827336 485022525 /nfs/dbraw/zinc/02/25/25/485022525.db2.gz LVLPECCCODMNST-GJZGRUSLSA-N 2 0 372.535 -0.152 20 0 FBADRP CS(=O)(=O)N1CCC(NC(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000631827337 485025457 /nfs/dbraw/zinc/02/54/57/485025457.db2.gz LVLPECCCODMNST-HUUCEWRRSA-N 2 0 372.535 -0.152 20 0 FBADRP CS(=O)(=O)N1CCC(NC(=O)C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000631827338 485025329 /nfs/dbraw/zinc/02/53/29/485025329.db2.gz LVLPECCCODMNST-LSDHHAIUSA-N 2 0 372.535 -0.152 20 0 FBADRP C[C@H]1CC2(C[N@@H+]1CC(=O)NC1CCN(S(C)(=O)=O)CC1)CC[NH2+]CC2 ZINC000631829266 485025288 /nfs/dbraw/zinc/02/52/88/485025288.db2.gz MFRSOSGBMKNKOP-AWEZNQCLSA-N 2 0 372.535 -0.009 20 0 FBADRP C[C@@H]1CC2(C[N@@H+]1CC(=O)NC1CCN(S(C)(=O)=O)CC1)CC[NH2+]CC2 ZINC000631829267 485024197 /nfs/dbraw/zinc/02/41/97/485024197.db2.gz MFRSOSGBMKNKOP-CQSZACIVSA-N 2 0 372.535 -0.009 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCC([NH2+]CCO)CC2)C1 ZINC000631864580 485026741 /nfs/dbraw/zinc/02/67/41/485026741.db2.gz QXOBZCKQJNMUFE-KRWDZBQOSA-N 2 0 356.511 -0.494 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCC([NH2+]CCO)CC2)C1 ZINC000631864582 485026502 /nfs/dbraw/zinc/02/65/02/485026502.db2.gz QXOBZCKQJNMUFE-QGZVFWFLSA-N 2 0 356.511 -0.494 20 0 FBADRP NC(=O)[C@H]1CCC[N@H+](CCCNS(=O)(=O)CCC[NH+]2CCCC2)C1 ZINC000631882620 485028728 /nfs/dbraw/zinc/02/87/28/485028728.db2.gz HNTUTMFZDAWXCW-HNNXBMFYSA-N 2 0 360.524 -0.021 20 0 FBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNS(=O)(=O)CCC[NH+]2CCCC2)C1 ZINC000631882621 485027832 /nfs/dbraw/zinc/02/78/32/485027832.db2.gz HNTUTMFZDAWXCW-OAHLLOKOSA-N 2 0 360.524 -0.021 20 0 FBADRP C[NH+](C)CCn1cc(C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cn1 ZINC000631887550 485028652 /nfs/dbraw/zinc/02/86/52/485028652.db2.gz OHZSNGPQSDOPGJ-INIZCTEOSA-N 2 0 362.478 -0.177 20 0 FBADRP C[NH+](C)CCn1cc(C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cn1 ZINC000631887551 485028862 /nfs/dbraw/zinc/02/88/62/485028862.db2.gz OHZSNGPQSDOPGJ-MRXNPFEDSA-N 2 0 362.478 -0.177 20 0 FBADRP Cn1cnc2c1c(=O)n(CCC[N@@H+]1CCC[C@H]3C[NH2+]CC[C@@H]31)c(=O)n2C ZINC000631890761 485028425 /nfs/dbraw/zinc/02/84/25/485028425.db2.gz UYVYBNRZZJWVGD-KBPBESRZSA-N 2 0 360.462 -0.102 20 0 FBADRP Cn1cnc2c1c(=O)n(CCC[N@@H+]1CCC[C@@H]3C[NH2+]CC[C@@H]31)c(=O)n2C ZINC000631890768 485027755 /nfs/dbraw/zinc/02/77/55/485027755.db2.gz UYVYBNRZZJWVGD-KGLIPLIRSA-N 2 0 360.462 -0.102 20 0 FBADRP Cn1cnc2c1c(=O)n(CCC[N@@H+]1CCC[C@H]3C[NH2+]CC[C@H]31)c(=O)n2C ZINC000631890769 485028080 /nfs/dbraw/zinc/02/80/80/485028080.db2.gz UYVYBNRZZJWVGD-UONOGXRCSA-N 2 0 360.462 -0.102 20 0 FBADRP Cn1cnc2c1c(=O)n(CCC[N@@H+]1CCC[C@@H]3C[NH2+]CC[C@H]31)c(=O)n2C ZINC000631890770 485028980 /nfs/dbraw/zinc/02/89/80/485028980.db2.gz UYVYBNRZZJWVGD-ZIAGYGMSSA-N 2 0 360.462 -0.102 20 0 FBADRP COCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000631895076 484945889 /nfs/dbraw/zinc/94/58/89/484945889.db2.gz LLLPNKNMWLHHPX-INIZCTEOSA-N 2 0 362.540 -0.346 20 0 FBADRP COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000631895077 484945850 /nfs/dbraw/zinc/94/58/50/484945850.db2.gz LLLPNKNMWLHHPX-MRXNPFEDSA-N 2 0 362.540 -0.346 20 0 FBADRP O=C([C@H]1CCCN(S(=O)(=O)CCC[NH+]2CCCC2)C1)N1CC[NH2+]CC1 ZINC000631901458 485270020 /nfs/dbraw/zinc/27/00/20/485270020.db2.gz DBYRZIDHPFSDCQ-INIZCTEOSA-N 2 0 372.535 -0.054 20 0 FBADRP O=C([C@@H]1CCCN(S(=O)(=O)CCC[NH+]2CCCC2)C1)N1CC[NH2+]CC1 ZINC000631901459 485030130 /nfs/dbraw/zinc/03/01/30/485030130.db2.gz DBYRZIDHPFSDCQ-MRXNPFEDSA-N 2 0 372.535 -0.054 20 0 FBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000631901673 485031008 /nfs/dbraw/zinc/03/10/08/485031008.db2.gz LBNDKYASQGEUAB-AWEZNQCLSA-N 2 0 373.523 -0.941 20 0 FBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000631901674 485030189 /nfs/dbraw/zinc/03/01/89/485030189.db2.gz LBNDKYASQGEUAB-CQSZACIVSA-N 2 0 373.523 -0.941 20 0 FBADRP C[NH+](C)CCCS(=O)(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000631909109 485030942 /nfs/dbraw/zinc/03/09/42/485030942.db2.gz QUUMPUDMMZANMD-CABCVRRESA-N 2 0 360.524 -0.152 20 0 FBADRP C[NH+](C)CCCS(=O)(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000631909110 485031002 /nfs/dbraw/zinc/03/10/02/485031002.db2.gz QUUMPUDMMZANMD-GJZGRUSLSA-N 2 0 360.524 -0.152 20 0 FBADRP C[NH+](C)CCCS(=O)(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000631909111 485030917 /nfs/dbraw/zinc/03/09/17/485030917.db2.gz QUUMPUDMMZANMD-HUUCEWRRSA-N 2 0 360.524 -0.152 20 0 FBADRP C[NH+](C)CCCS(=O)(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000631909112 485030707 /nfs/dbraw/zinc/03/07/07/485030707.db2.gz QUUMPUDMMZANMD-LSDHHAIUSA-N 2 0 360.524 -0.152 20 0 FBADRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631909238 485030387 /nfs/dbraw/zinc/03/03/87/485030387.db2.gz YJGBNHSCTIBPCT-HNNXBMFYSA-N 3 0 350.529 -0.490 20 0 FBADRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631909239 485029657 /nfs/dbraw/zinc/02/96/57/485029657.db2.gz YJGBNHSCTIBPCT-OAHLLOKOSA-N 3 0 350.529 -0.490 20 0 FBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000631913025 485032488 /nfs/dbraw/zinc/03/24/88/485032488.db2.gz CHHCNOHMNYFOTF-UHFFFAOYSA-N 2 0 360.524 -0.041 20 0 FBADRP C[NH+]1CCN(c2ncccc2CNS(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000631915103 485031811 /nfs/dbraw/zinc/03/18/11/485031811.db2.gz DUTJDBMBJDTTPW-HNNXBMFYSA-N 2 0 369.491 -0.759 20 0 FBADRP C[NH+]1CCN(c2ncccc2CNS(=O)(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000631915104 485031371 /nfs/dbraw/zinc/03/13/71/485031371.db2.gz DUTJDBMBJDTTPW-OAHLLOKOSA-N 2 0 369.491 -0.759 20 0 FBADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000631916737 485032624 /nfs/dbraw/zinc/03/26/24/485032624.db2.gz CXUJPTXGKAWCMF-BBWFWOEESA-N 2 0 374.551 -0.205 20 0 FBADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000631916738 485032612 /nfs/dbraw/zinc/03/26/12/485032612.db2.gz CXUJPTXGKAWCMF-BRWVUGGUSA-N 2 0 374.551 -0.205 20 0 FBADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000631916739 485032099 /nfs/dbraw/zinc/03/20/99/485032099.db2.gz CXUJPTXGKAWCMF-IXDOHACOSA-N 2 0 374.551 -0.205 20 0 FBADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000631916740 485032675 /nfs/dbraw/zinc/03/26/75/485032675.db2.gz CXUJPTXGKAWCMF-ZACQAIPSSA-N 2 0 374.551 -0.205 20 0 FBADRP COc1cc[nH+]c(N2CCN(S(=O)(=O)C[C@@H]3C[NH2+]CCO3)CC2)c1 ZINC000631916884 485033502 /nfs/dbraw/zinc/03/35/02/485033502.db2.gz BZAAUOUWZVQENF-AWEZNQCLSA-N 2 0 356.448 -0.470 20 0 FBADRP COc1cc[nH+]c(N2CCN(S(=O)(=O)C[C@H]3C[NH2+]CCO3)CC2)c1 ZINC000631916885 485033903 /nfs/dbraw/zinc/03/39/03/485033903.db2.gz BZAAUOUWZVQENF-CQSZACIVSA-N 2 0 356.448 -0.470 20 0 FBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000631917636 485034381 /nfs/dbraw/zinc/03/43/81/485034381.db2.gz MTMBWGRWOZPTDN-UHFFFAOYSA-N 2 0 373.523 -0.845 20 0 FBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000631918545 485034597 /nfs/dbraw/zinc/03/45/97/485034597.db2.gz GIZZYZMNPODPLW-CVEARBPZSA-N 2 0 360.524 -0.594 20 0 FBADRP C[N@@H+]1CCCC[C@H]1CN1CCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000631918546 485034473 /nfs/dbraw/zinc/03/44/73/485034473.db2.gz GIZZYZMNPODPLW-HOTGVXAUSA-N 2 0 360.524 -0.594 20 0 FBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000631918547 485034680 /nfs/dbraw/zinc/03/46/80/485034680.db2.gz GIZZYZMNPODPLW-HZPDHXFCSA-N 2 0 360.524 -0.594 20 0 FBADRP C[N@@H+]1CCCC[C@H]1CN1CCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000631918548 485033840 /nfs/dbraw/zinc/03/38/40/485033840.db2.gz GIZZYZMNPODPLW-JKSUJKDBSA-N 2 0 360.524 -0.594 20 0 FBADRP CN(C1CC[NH+](CCn2cccn2)CC1)S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631918861 485034699 /nfs/dbraw/zinc/03/46/99/485034699.db2.gz OPJVHNLGAABUAK-INIZCTEOSA-N 2 0 371.507 -0.403 20 0 FBADRP CN(C1CC[NH+](CCn2cccn2)CC1)S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631918862 485034648 /nfs/dbraw/zinc/03/46/48/485034648.db2.gz OPJVHNLGAABUAK-MRXNPFEDSA-N 2 0 371.507 -0.403 20 0 FBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000631920337 485034069 /nfs/dbraw/zinc/03/40/69/485034069.db2.gz XRZMTKGPEBAZEB-INIZCTEOSA-N 2 0 359.540 -0.373 20 0 FBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000631920338 485034275 /nfs/dbraw/zinc/03/42/75/485034275.db2.gz XRZMTKGPEBAZEB-MRXNPFEDSA-N 2 0 359.540 -0.373 20 0 FBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000631920571 485033723 /nfs/dbraw/zinc/03/37/23/485033723.db2.gz BSGFQNROMHFHQR-UHFFFAOYSA-N 2 0 360.524 -0.041 20 0 FBADRP C[NH+](C)C1(CNS(=O)(=O)C[C@@H]2C[NH2+]CCO2)Cc2ccccc2C1 ZINC000631923371 485036083 /nfs/dbraw/zinc/03/60/83/485036083.db2.gz UDILAAZTOBEKIE-INIZCTEOSA-N 2 0 353.488 -0.007 20 0 FBADRP C[NH+](C)C1(CNS(=O)(=O)C[C@H]2C[NH2+]CCO2)Cc2ccccc2C1 ZINC000631923372 485036504 /nfs/dbraw/zinc/03/65/04/485036504.db2.gz UDILAAZTOBEKIE-MRXNPFEDSA-N 2 0 353.488 -0.007 20 0 FBADRP CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)N(C)C2CC[NH2+]CC2)CC1 ZINC000631923388 485035499 /nfs/dbraw/zinc/03/54/99/485035499.db2.gz UMJYITXMJURCAA-HNNXBMFYSA-N 2 0 361.556 -0.222 20 0 FBADRP CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)N(C)C2CC[NH2+]CC2)CC1 ZINC000631923389 485036427 /nfs/dbraw/zinc/03/64/27/485036427.db2.gz UMJYITXMJURCAA-OAHLLOKOSA-N 2 0 361.556 -0.222 20 0 FBADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000631924785 485036111 /nfs/dbraw/zinc/03/61/11/485036111.db2.gz DXPRYOLYKWTPIR-INIZCTEOSA-N 2 0 361.508 -0.119 20 0 FBADRP O=S(=O)(C[C@H]1C[NH2+]CCO1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000631924786 485035566 /nfs/dbraw/zinc/03/55/66/485035566.db2.gz DXPRYOLYKWTPIR-MRXNPFEDSA-N 2 0 361.508 -0.119 20 0 FBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000631935778 485037483 /nfs/dbraw/zinc/03/74/83/485037483.db2.gz LZEHZLGQPKHGEL-GFCCVEGCSA-N 2 0 373.445 -0.659 20 0 FBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000631935779 485038144 /nfs/dbraw/zinc/03/81/44/485038144.db2.gz LZEHZLGQPKHGEL-LBPRGKRZSA-N 2 0 373.445 -0.659 20 0 FBADRP COCC1(CNS(=O)(=O)CCCN2CC[NH+](C)CC2)CC[NH2+]CC1 ZINC000631936668 484030814 /nfs/dbraw/zinc/03/08/14/484030814.db2.gz IAKASMNXHGZPDG-UHFFFAOYSA-N 2 0 362.540 -0.441 20 0 FBADRP C[NH+](C)CCCS(=O)(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000631945338 485039297 /nfs/dbraw/zinc/03/92/97/485039297.db2.gz WANIKSLTCVWAMM-CABCVRRESA-N 2 0 373.523 -0.512 20 0 FBADRP C[NH+](C)CCCS(=O)(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000631945339 485039751 /nfs/dbraw/zinc/03/97/51/485039751.db2.gz WANIKSLTCVWAMM-GJZGRUSLSA-N 2 0 373.523 -0.512 20 0 FBADRP C[NH+](C)CCCS(=O)(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000631945340 485039280 /nfs/dbraw/zinc/03/92/80/485039280.db2.gz WANIKSLTCVWAMM-HUUCEWRRSA-N 2 0 373.523 -0.512 20 0 FBADRP C[NH+](C)CCCS(=O)(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000631945341 485039312 /nfs/dbraw/zinc/03/93/12/485039312.db2.gz WANIKSLTCVWAMM-LSDHHAIUSA-N 2 0 373.523 -0.512 20 0 FBADRP O=C(N1CC[NH2+]CC1)N1CCN(S(=O)(=O)CCC[NH+]2CCCC2)CC1 ZINC000631953994 485041063 /nfs/dbraw/zinc/04/10/63/485041063.db2.gz YLIGQOAXPVUAJP-UHFFFAOYSA-N 2 0 373.523 -0.555 20 0 FBADRP C[NH+](C)C1(CNS(=O)(=O)CCCN2CC[NH+](C)CC2)CCOCC1 ZINC000631967915 485040925 /nfs/dbraw/zinc/04/09/25/485040925.db2.gz OTAZNHDHTPIEJB-UHFFFAOYSA-N 2 0 362.540 -0.346 20 0 FBADRP C[NH+]1CCN(CCCS(=O)(=O)NC[C@H](O)C[NH+]2CCCCC2)CC1 ZINC000632002118 485044470 /nfs/dbraw/zinc/04/44/70/485044470.db2.gz MKODQQWVWQHISQ-INIZCTEOSA-N 2 0 362.540 -0.610 20 0 FBADRP C[NH+]1CCN(CCCS(=O)(=O)NC[C@@H](O)C[NH+]2CCCCC2)CC1 ZINC000632002119 485043854 /nfs/dbraw/zinc/04/38/54/485043854.db2.gz MKODQQWVWQHISQ-MRXNPFEDSA-N 2 0 362.540 -0.610 20 0 FBADRP C[NH+]1CCN(CCCS(=O)(=O)N2CCN(CC(C)(C)O)CC2)CC1 ZINC000632005694 485043453 /nfs/dbraw/zinc/04/34/53/485043453.db2.gz AWILVCNKHFACAD-UHFFFAOYSA-N 2 0 362.540 -0.658 20 0 FBADRP C[NH+](C)[C@]1(CNS(=O)(=O)CCCN2CC[NH+](C)CC2)CCSC1 ZINC000632066498 485049846 /nfs/dbraw/zinc/04/98/46/485049846.db2.gz HETOOOQUOAHNQY-HNNXBMFYSA-N 2 0 364.581 -0.019 20 0 FBADRP C[NH+](C)[C@@]1(CNS(=O)(=O)CCCN2CC[NH+](C)CC2)CCSC1 ZINC000632066499 485049869 /nfs/dbraw/zinc/04/98/69/485049869.db2.gz HETOOOQUOAHNQY-OAHLLOKOSA-N 2 0 364.581 -0.019 20 0 FBADRP COC1CC[NH+](CCNS(=O)(=O)CCCN2CC[NH+](C)CC2)CC1 ZINC000632079207 485051331 /nfs/dbraw/zinc/05/13/31/485051331.db2.gz MORQNXIVWMMZRU-UHFFFAOYSA-N 2 0 362.540 -0.346 20 0 FBADRP CN1CCO[C@H](CS(=O)(=O)NCc2ccnc(OCC[NH+](C)C)c2)C1 ZINC000632158597 485056098 /nfs/dbraw/zinc/05/60/98/485056098.db2.gz BGJCYTWERAXMJA-HNNXBMFYSA-N 2 0 372.491 -0.228 20 0 FBADRP CN1CCO[C@@H](CS(=O)(=O)NCc2ccnc(OCC[NH+](C)C)c2)C1 ZINC000632158598 485056028 /nfs/dbraw/zinc/05/60/28/485056028.db2.gz BGJCYTWERAXMJA-OAHLLOKOSA-N 2 0 372.491 -0.228 20 0 FBADRP CCN1C[C@@H](S(=O)(=O)N(CC[NH+](C)C)C2CC[NH+](C)CC2)CC1=O ZINC000632231869 485059886 /nfs/dbraw/zinc/05/98/86/485059886.db2.gz GCLZBRGSQZEPAW-HNNXBMFYSA-N 2 0 360.524 -0.105 20 0 FBADRP CCN1C[C@H](S(=O)(=O)N(CC[NH+](C)C)C2CC[NH+](C)CC2)CC1=O ZINC000632231870 485059598 /nfs/dbraw/zinc/05/95/98/485059598.db2.gz GCLZBRGSQZEPAW-OAHLLOKOSA-N 2 0 360.524 -0.105 20 0 FBADRP CC[NH+]1CCN(CCNS(=O)(=O)CCCN2CC[NH+](C)CC2)CC1 ZINC000632254321 485061653 /nfs/dbraw/zinc/06/16/53/485061653.db2.gz NSISMBODDOKUED-UHFFFAOYSA-N 2 0 361.556 -0.819 20 0 FBADRP C[C@@H]1CN(C2CCOCC2)CCN1S(=O)(=O)C[C@H]1CN(C)CCO1 ZINC000632285675 485063710 /nfs/dbraw/zinc/06/37/10/485063710.db2.gz ZBDPFLNANYMHPY-GDBMZVCRSA-N 2 0 361.508 -0.168 20 0 FBADRP C[C@@H]1CN(C2CCOCC2)CCN1S(=O)(=O)C[C@@H]1CN(C)CCO1 ZINC000632285676 485064576 /nfs/dbraw/zinc/06/45/76/485064576.db2.gz ZBDPFLNANYMHPY-ZBFHGGJFSA-N 2 0 361.508 -0.168 20 0 FBADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000632349623 485070333 /nfs/dbraw/zinc/07/03/33/485070333.db2.gz ANAGKXLEYJFNOP-KBPBESRZSA-N 2 0 359.496 -0.643 20 0 FBADRP C[C@@H]1[C@H]([N@H+](C)CCO)CCN1S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632362625 485071081 /nfs/dbraw/zinc/07/10/81/485071081.db2.gz MJXLJCYEHARQEV-HZPDHXFCSA-N 2 0 362.540 -0.659 20 0 FBADRP CC[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)CCCN3CC[NH+](C)CC3)[C@H]2C1 ZINC000632369764 485071346 /nfs/dbraw/zinc/07/13/46/485071346.db2.gz XATYOBMCKQLHAK-DLBZAZTESA-N 2 0 374.551 -0.251 20 0 FBADRP C[NH+]1CCN(CCCS(=O)(=O)NC[C@@H]2CCCC[N@@H+]2CCO)CC1 ZINC000632389113 485073300 /nfs/dbraw/zinc/07/33/00/485073300.db2.gz LHRRDXVRZWCYHC-INIZCTEOSA-N 2 0 362.540 -0.610 20 0 FBADRP C[NH+]1CCN(CCCS(=O)(=O)NC[C@H]2CCCC[N@@H+]2CCO)CC1 ZINC000632389114 485072989 /nfs/dbraw/zinc/07/29/89/485072989.db2.gz LHRRDXVRZWCYHC-MRXNPFEDSA-N 2 0 362.540 -0.610 20 0 FBADRP C[NH+]1CCN(CCCS(=O)(=O)N[C@H]2CCC[N@H+](CCCO)C2)CC1 ZINC000632389135 485073410 /nfs/dbraw/zinc/07/34/10/485073410.db2.gz LQVKIEQKEDXVDA-INIZCTEOSA-N 2 0 362.540 -0.610 20 0 FBADRP C[NH+]1CCN(CCCS(=O)(=O)N[C@@H]2CCC[N@H+](CCCO)C2)CC1 ZINC000632389136 485072483 /nfs/dbraw/zinc/07/24/83/485072483.db2.gz LQVKIEQKEDXVDA-MRXNPFEDSA-N 2 0 362.540 -0.610 20 0 FBADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N(C)Cc1ncc[nH]1 ZINC000632424549 485075015 /nfs/dbraw/zinc/07/50/15/485075015.db2.gz QEGHXJJQPRYHPC-UHFFFAOYSA-N 2 0 350.467 -0.148 20 0 FBADRP C[NH+](C)CCCS(=O)(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000632453588 485075799 /nfs/dbraw/zinc/07/57/99/485075799.db2.gz GEDBIQHKVGOIGK-UHFFFAOYSA-N 2 0 362.540 -0.346 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCCn2nccc21 ZINC000632487648 485078626 /nfs/dbraw/zinc/07/86/26/485078626.db2.gz RANJTJRZKIBWSL-AWEZNQCLSA-N 2 0 350.467 -0.214 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCCn2nccc21 ZINC000632487649 485078825 /nfs/dbraw/zinc/07/88/25/485078825.db2.gz RANJTJRZKIBWSL-CQSZACIVSA-N 2 0 350.467 -0.214 20 0 FBADRP C[NH+]1CCN(CCCS(=O)(=O)N2CCOC3(CC[NH+](C)CC3)C2)CC1 ZINC000632503344 485080157 /nfs/dbraw/zinc/08/01/57/485080157.db2.gz AYMBSENUBBBMQH-UHFFFAOYSA-N 2 0 374.551 -0.250 20 0 FBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CCN(CCc2cnccn2)CC1 ZINC000632604082 485092481 /nfs/dbraw/zinc/09/24/81/485092481.db2.gz XADMBMXUJQSMFD-UHFFFAOYSA-N 2 0 374.489 -0.284 20 0 FBADRP CCC1([NH+](C)C)CCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000632723285 485103755 /nfs/dbraw/zinc/10/37/55/485103755.db2.gz PROCPHGDXOOEOK-LSDHHAIUSA-N 2 0 352.479 -0.403 20 0 FBADRP C[NH+]1CCC(n2cc(NC(=O)C(=O)N3CC[C@@H](F)[C@H]([NH3+])C3)cn2)CC1 ZINC000633009300 485113174 /nfs/dbraw/zinc/11/31/74/485113174.db2.gz YBGGYKCOGYOFFL-ZIAGYGMSSA-N 2 0 352.414 -0.014 20 0 FBADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)c2)CC1 ZINC000633027290 485113238 /nfs/dbraw/zinc/11/32/38/485113238.db2.gz MPRDYVRRCYTVFD-IRXDYDNUSA-N 2 0 357.458 -0.055 20 0 FBADRP C[NH+](C)CCn1c2cc(NC(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)ccc2oc1=O ZINC000633028827 485113739 /nfs/dbraw/zinc/11/37/39/485113739.db2.gz YQWXXDKMLXSDJN-STQMWFEESA-N 2 0 373.413 -0.333 20 0 FBADRP CN1CC[C@H]([NH+]2CCC(NC(=O)c3cnn(CC[NH+](C)C)c3)CC2)C1=O ZINC000633062362 485114401 /nfs/dbraw/zinc/11/44/01/485114401.db2.gz XUVFKMZZKGWZED-INIZCTEOSA-N 2 0 362.478 -0.130 20 0 FBADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)c3cnn(CC[NH+](C)C)c3)CC2)C1=O ZINC000633062363 485114487 /nfs/dbraw/zinc/11/44/87/485114487.db2.gz XUVFKMZZKGWZED-MRXNPFEDSA-N 2 0 362.478 -0.130 20 0 FBADRP O=C(C(=O)N1CCN(CCOc2ccccc2)CC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633077411 485115234 /nfs/dbraw/zinc/11/52/34/485115234.db2.gz VEGCUAODVJTUJU-HOTGVXAUSA-N 2 0 358.442 -0.218 20 0 FBADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633083171 485115811 /nfs/dbraw/zinc/11/58/11/485115811.db2.gz SUWOFCQJZBYMBS-GASCZTMLSA-N 2 0 351.495 -0.566 20 0 FBADRP C[C@@H]1CN(C[C@H]2CCCN2C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C[C@@H](C)O1 ZINC000633084267 485115394 /nfs/dbraw/zinc/11/53/94/485115394.db2.gz HAERRWUJVZIGMF-LJIZCISZSA-N 2 0 350.463 -0.341 20 0 FBADRP C[C@@H]1CN(C[C@H]2CCCN2C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C[C@H](C)O1 ZINC000633084268 485115334 /nfs/dbraw/zinc/11/53/34/485115334.db2.gz HAERRWUJVZIGMF-NPJQDHAYSA-N 2 0 350.463 -0.341 20 0 FBADRP C[C@@H]1CN(C[C@@H]2CCCN2C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C[C@@H](C)O1 ZINC000633084270 485115253 /nfs/dbraw/zinc/11/52/53/485115253.db2.gz HAERRWUJVZIGMF-OWYFMNJBSA-N 2 0 350.463 -0.341 20 0 FBADRP C[C@@H]1CN(C[C@@H]2CCCN2C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C[C@H](C)O1 ZINC000633084272 485115612 /nfs/dbraw/zinc/11/56/12/485115612.db2.gz HAERRWUJVZIGMF-QRJUGERDSA-N 2 0 350.463 -0.341 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)C[C@H]1C[NH3+] ZINC000633084425 485115524 /nfs/dbraw/zinc/11/55/24/485115524.db2.gz ZOCVUZHIGKIWMZ-HUUCEWRRSA-N 2 0 353.511 -0.476 20 0 FBADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000633086337 485115326 /nfs/dbraw/zinc/11/53/26/485115326.db2.gz PVQAHNNZNQSDIV-NCOADZHNSA-N 2 0 363.506 -0.424 20 0 FBADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000633086338 485115705 /nfs/dbraw/zinc/11/57/05/485115705.db2.gz PVQAHNNZNQSDIV-QAETUUGQSA-N 2 0 363.506 -0.424 20 0 FBADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000633086339 485115724 /nfs/dbraw/zinc/11/57/24/485115724.db2.gz PVQAHNNZNQSDIV-YVSFHVDLSA-N 2 0 363.506 -0.424 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC000633087045 485116540 /nfs/dbraw/zinc/11/65/40/485116540.db2.gz FJOGWOMWQSWSDW-HUUCEWRRSA-N 2 0 367.494 -0.948 20 0 FBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CCCCC[C@H]([NH3+])C3)CC2)C1 ZINC000633087295 485116726 /nfs/dbraw/zinc/11/67/26/485116726.db2.gz CTXFCDDERXCZPC-DLBZAZTESA-N 2 0 365.522 -0.045 20 0 FBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CCCCC[C@@H]([NH3+])C3)CC2)C1 ZINC000633087296 485116462 /nfs/dbraw/zinc/11/64/62/485116462.db2.gz CTXFCDDERXCZPC-IAGOWNOFSA-N 2 0 365.522 -0.045 20 0 FBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CCCCC[C@H]([NH3+])C3)CC2)C1 ZINC000633087297 485116966 /nfs/dbraw/zinc/11/69/66/485116966.db2.gz CTXFCDDERXCZPC-IRXDYDNUSA-N 2 0 365.522 -0.045 20 0 FBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CCCCC[C@@H]([NH3+])C3)CC2)C1 ZINC000633087298 485116474 /nfs/dbraw/zinc/11/64/74/485116474.db2.gz CTXFCDDERXCZPC-SJORKVTESA-N 2 0 365.522 -0.045 20 0 FBADRP CN(C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000633087982 485116559 /nfs/dbraw/zinc/11/65/59/485116559.db2.gz CIWTYHLOMCQQDO-HLLBOEOZSA-N 2 0 363.506 -0.424 20 0 FBADRP CN(C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000633087983 485116227 /nfs/dbraw/zinc/11/62/27/485116227.db2.gz CIWTYHLOMCQQDO-UXLLHSPISA-N 2 0 363.506 -0.424 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C[C@H]1C[NH3+] ZINC000633088046 485116769 /nfs/dbraw/zinc/11/67/69/485116769.db2.gz JUFLRTOEXDNPDF-BZUAXINKSA-N 2 0 351.495 -0.722 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)C[C@H]1C[NH3+] ZINC000633088047 485116362 /nfs/dbraw/zinc/11/63/62/485116362.db2.gz JUFLRTOEXDNPDF-OAGGEKHMSA-N 2 0 351.495 -0.722 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C[C@H]1C[NH3+] ZINC000633089036 485116918 /nfs/dbraw/zinc/11/69/18/485116918.db2.gz KUVDSFMBMRUJBW-BFYDXBDKSA-N 2 0 365.522 -0.334 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)C[C@H]1C[NH3+] ZINC000633089038 485116395 /nfs/dbraw/zinc/11/63/95/485116395.db2.gz KUVDSFMBMRUJBW-INMHGKMJSA-N 2 0 365.522 -0.334 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c1 ZINC000633089427 485116693 /nfs/dbraw/zinc/11/66/93/485116693.db2.gz MCYHOSIXCCXCOQ-OKILXGFUSA-N 2 0 359.430 -0.298 20 0 FBADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000633089546 485116642 /nfs/dbraw/zinc/11/66/42/485116642.db2.gz NEMCQUVRTOYJOJ-BBWFWOEESA-N 2 0 363.506 -0.422 20 0 FBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000633089551 485116584 /nfs/dbraw/zinc/11/65/84/485116584.db2.gz NEMCQUVRTOYJOJ-IXDOHACOSA-N 2 0 363.506 -0.422 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3C[C@@H](C[NH3+])[C@H](C)C3)CC2)c1 ZINC000633090702 485116502 /nfs/dbraw/zinc/11/65/02/485116502.db2.gz RXOZTGSRWSIMEI-ZIAGYGMSSA-N 2 0 361.446 -0.208 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)C[C@H]1C[NH3+] ZINC000633092081 485116986 /nfs/dbraw/zinc/11/69/86/485116986.db2.gz LXAAGOHQYMPIKH-GDBMZVCRSA-N 2 0 352.479 -0.390 20 0 FBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000633092131 485117680 /nfs/dbraw/zinc/11/76/80/485117680.db2.gz NICSUADCVOKKJP-INIZCTEOSA-N 2 0 353.511 -0.188 20 0 FBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000633092132 485118007 /nfs/dbraw/zinc/11/80/07/485118007.db2.gz NICSUADCVOKKJP-MRXNPFEDSA-N 2 0 353.511 -0.188 20 0 FBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC000633093459 485117568 /nfs/dbraw/zinc/11/75/68/485117568.db2.gz BARSBKGAXXKNMP-ZIAGYGMSSA-N 2 0 361.446 -0.208 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)C[C@H]1C[NH3+] ZINC000633093466 485117493 /nfs/dbraw/zinc/11/74/93/485117493.db2.gz BEASXXAMRHKRJC-QLFBSQMISA-N 2 0 352.479 -0.249 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)C[C@H]1C[NH3+] ZINC000633093467 485117423 /nfs/dbraw/zinc/11/74/23/485117423.db2.gz BEASXXAMRHKRJC-RBSFLKMASA-N 2 0 352.479 -0.249 20 0 FBADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633093815 485117890 /nfs/dbraw/zinc/11/78/90/485117890.db2.gz DPQKVJAYDMNKKR-KFWWJZLASA-N 2 0 350.463 -0.339 20 0 FBADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633093820 485117462 /nfs/dbraw/zinc/11/74/62/485117462.db2.gz DPQKVJAYDMNKKR-SOUVJXGZSA-N 2 0 350.463 -0.339 20 0 FBADRP O=C(C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000633094360 485117600 /nfs/dbraw/zinc/11/76/00/485117600.db2.gz HGFAZUGHFXMGQP-OAGGEKHMSA-N 2 0 350.463 -0.480 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C[C@H]1C[NH3+] ZINC000633094466 485117593 /nfs/dbraw/zinc/11/75/93/485117593.db2.gz JASFMTOPUDEHGN-BZUAXINKSA-N 2 0 352.479 -0.390 20 0 FBADRP O=C(C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[NH+](CC2CCOCC2)CC1 ZINC000633094746 485117761 /nfs/dbraw/zinc/11/77/61/485117761.db2.gz YZCDWMSWRYSQMQ-IYBDPMFKSA-N 2 0 350.463 -0.480 20 0 FBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000633095194 485117534 /nfs/dbraw/zinc/11/75/34/485117534.db2.gz QYKQAQGFTHHTEF-OKILXGFUSA-N 2 0 359.430 -0.298 20 0 FBADRP O=C(C(=O)N1CCC(OCC[NH+]2CCCC2)CC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633096501 485117604 /nfs/dbraw/zinc/11/76/04/485117604.db2.gz INWLMYDNXQQDMU-GJZGRUSLSA-N 2 0 350.463 -0.338 20 0 FBADRP CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)CC2)CC1 ZINC000633096809 485117667 /nfs/dbraw/zinc/11/76/67/485117667.db2.gz AEOMYPUMFYTUDM-RDJZCZTQSA-N 2 0 363.506 -0.424 20 0 FBADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)CC2)CC1 ZINC000633097621 485117642 /nfs/dbraw/zinc/11/76/42/485117642.db2.gz FWFJXFVMOFJTNJ-RDJZCZTQSA-N 2 0 363.506 -0.424 20 0 FBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)C1 ZINC000633098103 485118127 /nfs/dbraw/zinc/11/81/27/485118127.db2.gz KDOPVEHBIVPUIC-BZUAXINKSA-N 2 0 354.495 -0.001 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000633099707 485119175 /nfs/dbraw/zinc/11/91/75/485119175.db2.gz CQNSWNIWVMSBHU-TWMKSMIVSA-N 2 0 365.522 -0.476 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)C[C@H]1C[NH3+] ZINC000633099709 485118938 /nfs/dbraw/zinc/11/89/38/485118938.db2.gz CQNSWNIWVMSBHU-VQHPVUNQSA-N 2 0 365.522 -0.476 20 0 FBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000633099941 485119170 /nfs/dbraw/zinc/11/91/70/485119170.db2.gz STKGFIUALPKUOP-OWCLPIDISA-N 2 0 352.479 -0.092 20 0 FBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000633099942 485119294 /nfs/dbraw/zinc/11/92/94/485119294.db2.gz STKGFIUALPKUOP-XHSDSOJGSA-N 2 0 352.479 -0.092 20 0 FBADRP O=C(C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633100319 485118919 /nfs/dbraw/zinc/11/89/19/485118919.db2.gz VDJLSHYTSUNBMK-IRXDYDNUSA-N 2 0 364.490 -0.090 20 0 FBADRP CN1CC[NH+](CC2(C)CCN(C(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)CC2)CC1 ZINC000633100618 485118631 /nfs/dbraw/zinc/11/86/31/485118631.db2.gz HZWAXJOLIWGTNK-HOTGVXAUSA-N 2 0 363.506 -0.565 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000633100887 485118703 /nfs/dbraw/zinc/11/87/03/485118703.db2.gz JXVBFUGDCRDXKQ-MWDXBVQZSA-N 2 0 363.506 -0.566 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000633100888 485118880 /nfs/dbraw/zinc/11/88/80/485118880.db2.gz JXVBFUGDCRDXKQ-NCOADZHNSA-N 2 0 363.506 -0.566 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000633100889 485118594 /nfs/dbraw/zinc/11/85/94/485118594.db2.gz JXVBFUGDCRDXKQ-NXOAAHMSSA-N 2 0 363.506 -0.566 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000633100890 485118559 /nfs/dbraw/zinc/11/85/59/485118559.db2.gz JXVBFUGDCRDXKQ-WCXIOVBPSA-N 2 0 363.506 -0.566 20 0 FBADRP CCC1([NH+]2CCCC2)CCN(C(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])CC1 ZINC000633101220 485118542 /nfs/dbraw/zinc/11/85/42/485118542.db2.gz BLNYAAHBJLNWKD-INIZCTEOSA-N 2 0 365.522 -0.045 20 0 FBADRP CCC1([NH+]2CCCC2)CCN(C(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])CC1 ZINC000633101221 485119233 /nfs/dbraw/zinc/11/92/33/485119233.db2.gz BLNYAAHBJLNWKD-MRXNPFEDSA-N 2 0 365.522 -0.045 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)C[C@H]1C[NH3+] ZINC000633102387 485118811 /nfs/dbraw/zinc/11/88/11/485118811.db2.gz SJIGDWYSSQLJFC-HUUCEWRRSA-N 2 0 354.495 -0.001 20 0 FBADRP [NH3+][C@H]1CCCCCN(C(=O)C(=O)N2CCN(C[C@H]3CCOC3)CC2)C1 ZINC000633102465 485119272 /nfs/dbraw/zinc/11/92/72/485119272.db2.gz UBTNTULGDXNFLW-CVEARBPZSA-N 2 0 352.479 -0.103 20 0 FBADRP [NH3+][C@H]1CCCCCN(C(=O)C(=O)N2CCN(C[C@@H]3CCOC3)CC2)C1 ZINC000633102466 485118693 /nfs/dbraw/zinc/11/86/93/485118693.db2.gz UBTNTULGDXNFLW-HOTGVXAUSA-N 2 0 352.479 -0.103 20 0 FBADRP [NH3+][C@@H]1CCCCCN(C(=O)C(=O)N2CCN(C[C@H]3CCOC3)CC2)C1 ZINC000633102467 485119320 /nfs/dbraw/zinc/11/93/20/485119320.db2.gz UBTNTULGDXNFLW-HZPDHXFCSA-N 2 0 352.479 -0.103 20 0 FBADRP [NH3+][C@@H]1CCCCCN(C(=O)C(=O)N2CCN(C[C@@H]3CCOC3)CC2)C1 ZINC000633102469 485118825 /nfs/dbraw/zinc/11/88/25/485118825.db2.gz UBTNTULGDXNFLW-JKSUJKDBSA-N 2 0 352.479 -0.103 20 0 FBADRP C[NH+](C)CCCOC1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000633102665 485118854 /nfs/dbraw/zinc/11/88/54/485118854.db2.gz WGJYDTAHBDBEIJ-GASCZTMLSA-N 2 0 352.479 -0.092 20 0 FBADRP COCC(COC)N1CCN(C(=O)C(=O)N2CCCCC[C@H]([NH3+])C2)CC1 ZINC000633102795 485119329 /nfs/dbraw/zinc/11/93/29/485119329.db2.gz LLGDPBVZSVXLGC-HNNXBMFYSA-N 2 0 370.494 -0.478 20 0 FBADRP COCC(COC)N1CCN(C(=O)C(=O)N2CCCCC[C@@H]([NH3+])C2)CC1 ZINC000633102796 485119307 /nfs/dbraw/zinc/11/93/07/485119307.db2.gz LLGDPBVZSVXLGC-OAHLLOKOSA-N 2 0 370.494 -0.478 20 0 FBADRP [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)N1CCN(CCc2cnccn2)CC1 ZINC000633103356 485118965 /nfs/dbraw/zinc/11/89/65/485118965.db2.gz QIVZORQNIHILHZ-INIZCTEOSA-N 2 0 360.462 -0.497 20 0 FBADRP [NH3+]C[C@H]1CCCCN1C(=O)C(=O)N1CCN(CCc2cnccn2)CC1 ZINC000633103357 485118718 /nfs/dbraw/zinc/11/87/18/485118718.db2.gz QIVZORQNIHILHZ-MRXNPFEDSA-N 2 0 360.462 -0.497 20 0 FBADRP CC[C@H]1CN(C(=O)C(=O)N2CCN(CCc3cnccn3)CC2)CC[C@H]1[NH3+] ZINC000633103778 485118606 /nfs/dbraw/zinc/11/86/06/485118606.db2.gz VKIBXPGTVKHCNO-DOTOQJQBSA-N 2 0 374.489 -0.251 20 0 FBADRP CC[C@@H]1CN(C(=O)C(=O)N2CCN(CCc3cnccn3)CC2)CC[C@H]1[NH3+] ZINC000633103779 485118900 /nfs/dbraw/zinc/11/89/00/485118900.db2.gz VKIBXPGTVKHCNO-NVXWUHKLSA-N 2 0 374.489 -0.251 20 0 FBADRP CC[C@H]1CN(C(=O)C(=O)N2CCN(CCc3cnccn3)CC2)CC[C@@H]1[NH3+] ZINC000633103780 485118777 /nfs/dbraw/zinc/11/87/77/485118777.db2.gz VKIBXPGTVKHCNO-RDJZCZTQSA-N 2 0 374.489 -0.251 20 0 FBADRP CC[C@@H]1CN(C(=O)C(=O)N2CCN(CCc3cnccn3)CC2)CC[C@@H]1[NH3+] ZINC000633103781 485118928 /nfs/dbraw/zinc/11/89/28/485118928.db2.gz VKIBXPGTVKHCNO-WBVHZDCISA-N 2 0 374.489 -0.251 20 0 FBADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN(CCc2cnccn2)CC1 ZINC000633103838 485118870 /nfs/dbraw/zinc/11/88/70/485118870.db2.gz WMAYLBLNZGSSEW-INIZCTEOSA-N 2 0 360.462 -0.626 20 0 FBADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCN(CCc2cnccn2)CC1 ZINC000633103839 485118758 /nfs/dbraw/zinc/11/87/58/485118758.db2.gz WMAYLBLNZGSSEW-MRXNPFEDSA-N 2 0 360.462 -0.626 20 0 FBADRP CN1CCN(C(=O)C(=O)N2CCC(C)([NH+]3CCCC3)CC2)[C@@H](C[NH3+])C1 ZINC000633104234 485119987 /nfs/dbraw/zinc/11/99/87/485119987.db2.gz ZCISQOMQAHUGIS-HNNXBMFYSA-N 2 0 351.495 -0.435 20 0 FBADRP CN1CCN(C(=O)C(=O)N2CCC(C)([NH+]3CCCC3)CC2)[C@H](C[NH3+])C1 ZINC000633104243 485120094 /nfs/dbraw/zinc/12/00/94/485120094.db2.gz ZCISQOMQAHUGIS-OAHLLOKOSA-N 2 0 351.495 -0.435 20 0 FBADRP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000633109134 485122019 /nfs/dbraw/zinc/12/20/19/485122019.db2.gz MRFNXTCECSAHMX-GJZGRUSLSA-N 2 0 350.463 -0.338 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)C[C@H]1C[NH3+] ZINC000633109923 485121636 /nfs/dbraw/zinc/12/16/36/485121636.db2.gz QILQWXVDYUGPTG-HUUCEWRRSA-N 2 0 352.479 -0.247 20 0 FBADRP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000633110494 485121198 /nfs/dbraw/zinc/12/11/98/485121198.db2.gz WZBUFSDFWDLEQH-GASCZTMLSA-N 2 0 350.463 -0.338 20 0 FBADRP COCC[NH+](CCOC)C1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000633112555 485121832 /nfs/dbraw/zinc/12/18/32/485121832.db2.gz DTSQTQYCRSKBON-HOCLYGCPSA-N 2 0 368.478 -0.855 20 0 FBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000633115658 485122671 /nfs/dbraw/zinc/12/26/71/485122671.db2.gz LSKQWNXBGGELMG-GDBMZVCRSA-N 2 0 352.479 -0.105 20 0 FBADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000633115659 485122690 /nfs/dbraw/zinc/12/26/90/485122690.db2.gz LSKQWNXBGGELMG-GOEBONIOSA-N 2 0 352.479 -0.105 20 0 FBADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000633115660 485122705 /nfs/dbraw/zinc/12/27/05/485122705.db2.gz LSKQWNXBGGELMG-HOCLYGCPSA-N 2 0 352.479 -0.105 20 0 FBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000633115661 485122549 /nfs/dbraw/zinc/12/25/49/485122549.db2.gz LSKQWNXBGGELMG-ZBFHGGJFSA-N 2 0 352.479 -0.105 20 0 FBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000633116054 485122601 /nfs/dbraw/zinc/12/26/01/485122601.db2.gz OKTUAGIATQYGDO-NXOAAHMSSA-N 2 0 365.522 -0.049 20 0 FBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000633116055 485122737 /nfs/dbraw/zinc/12/27/37/485122737.db2.gz OKTUAGIATQYGDO-TWMKSMIVSA-N 2 0 365.522 -0.049 20 0 FBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000633116056 485122628 /nfs/dbraw/zinc/12/26/28/485122628.db2.gz OKTUAGIATQYGDO-VQHPVUNQSA-N 2 0 365.522 -0.049 20 0 FBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000633116057 485122617 /nfs/dbraw/zinc/12/26/17/485122617.db2.gz OKTUAGIATQYGDO-YYIAUSFCSA-N 2 0 365.522 -0.049 20 0 FBADRP CCC1([NH+](C)C)CCN(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000633116763 485122711 /nfs/dbraw/zinc/12/27/11/485122711.db2.gz AHUABHKROHSCGK-INIZCTEOSA-N 2 0 365.522 -0.175 20 0 FBADRP CCC1([NH+](C)C)CCN(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000633116764 485122544 /nfs/dbraw/zinc/12/25/44/485122544.db2.gz AHUABHKROHSCGK-MRXNPFEDSA-N 2 0 365.522 -0.175 20 0 FBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000633116943 485122558 /nfs/dbraw/zinc/12/25/58/485122558.db2.gz YEOPHJULMJCYIX-GDBMZVCRSA-N 2 0 351.495 -0.580 20 0 FBADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000633116944 485122645 /nfs/dbraw/zinc/12/26/45/485122645.db2.gz YEOPHJULMJCYIX-GOEBONIOSA-N 2 0 351.495 -0.580 20 0 FBADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000633116945 485122729 /nfs/dbraw/zinc/12/27/29/485122729.db2.gz YEOPHJULMJCYIX-HOCLYGCPSA-N 2 0 351.495 -0.580 20 0 FBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000633116946 485122491 /nfs/dbraw/zinc/12/24/91/485122491.db2.gz YEOPHJULMJCYIX-ZBFHGGJFSA-N 2 0 351.495 -0.580 20 0 FBADRP CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)N3C[C@@H]([NH3+])C[C@H]3C)CC2)CC1 ZINC000633118047 485122424 /nfs/dbraw/zinc/12/24/24/485122424.db2.gz HWFIKJTVXNRDTK-CVEARBPZSA-N 2 0 365.522 -0.049 20 0 FBADRP CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)N3C[C@@H]([NH3+])C[C@@H]3C)CC2)CC1 ZINC000633118048 485122516 /nfs/dbraw/zinc/12/25/16/485122516.db2.gz HWFIKJTVXNRDTK-HOTGVXAUSA-N 2 0 365.522 -0.049 20 0 FBADRP CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)N3C[C@H]([NH3+])C[C@H]3C)CC2)CC1 ZINC000633118049 485122697 /nfs/dbraw/zinc/12/26/97/485122697.db2.gz HWFIKJTVXNRDTK-HZPDHXFCSA-N 2 0 365.522 -0.049 20 0 FBADRP CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)N3C[C@H]([NH3+])C[C@@H]3C)CC2)CC1 ZINC000633118050 485122591 /nfs/dbraw/zinc/12/25/91/485122591.db2.gz HWFIKJTVXNRDTK-JKSUJKDBSA-N 2 0 365.522 -0.049 20 0 FBADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N3C[C@@H]([NH3+])C[C@H]3C)CC2)CC1 ZINC000633118280 485122504 /nfs/dbraw/zinc/12/25/04/485122504.db2.gz IWGVFMGRTSUYBF-CVEARBPZSA-N 2 0 365.522 -0.049 20 0 FBADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N3C[C@@H]([NH3+])C[C@@H]3C)CC2)CC1 ZINC000633118281 485122586 /nfs/dbraw/zinc/12/25/86/485122586.db2.gz IWGVFMGRTSUYBF-HOTGVXAUSA-N 2 0 365.522 -0.049 20 0 FBADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N3C[C@H]([NH3+])C[C@H]3C)CC2)CC1 ZINC000633118282 485122444 /nfs/dbraw/zinc/12/24/44/485122444.db2.gz IWGVFMGRTSUYBF-HZPDHXFCSA-N 2 0 365.522 -0.049 20 0 FBADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N3C[C@H]([NH3+])C[C@@H]3C)CC2)CC1 ZINC000633118283 485122477 /nfs/dbraw/zinc/12/24/77/485122477.db2.gz IWGVFMGRTSUYBF-JKSUJKDBSA-N 2 0 365.522 -0.049 20 0 FBADRP COCC[NH+](CCOC)C1CCN(C(=O)C(=O)N2C[C@@H]([NH3+])C[C@H]2C)CC1 ZINC000633119583 485122684 /nfs/dbraw/zinc/12/26/84/485122684.db2.gz PTJOTUXIELRKPE-CABCVRRESA-N 2 0 370.494 -0.480 20 0 FBADRP COCC[NH+](CCOC)C1CCN(C(=O)C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)CC1 ZINC000633119584 485122748 /nfs/dbraw/zinc/12/27/48/485122748.db2.gz PTJOTUXIELRKPE-GJZGRUSLSA-N 2 0 370.494 -0.480 20 0 FBADRP COCC[NH+](CCOC)C1CCN(C(=O)C(=O)N2C[C@H]([NH3+])C[C@H]2C)CC1 ZINC000633119585 485122687 /nfs/dbraw/zinc/12/26/87/485122687.db2.gz PTJOTUXIELRKPE-HUUCEWRRSA-N 2 0 370.494 -0.480 20 0 FBADRP COCC[NH+](CCOC)C1CCN(C(=O)C(=O)N2C[C@H]([NH3+])C[C@@H]2C)CC1 ZINC000633119587 485122468 /nfs/dbraw/zinc/12/24/68/485122468.db2.gz PTJOTUXIELRKPE-LSDHHAIUSA-N 2 0 370.494 -0.480 20 0 FBADRP CCC1([NH+](C)C)CCN(C(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CC1 ZINC000633120284 485122958 /nfs/dbraw/zinc/12/29/58/485122958.db2.gz ZHDKJYGRONPMJF-INIZCTEOSA-N 2 0 365.522 -0.175 20 0 FBADRP CCC1([NH+](C)C)CCN(C(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CC1 ZINC000633120286 485123008 /nfs/dbraw/zinc/12/30/08/485123008.db2.gz ZHDKJYGRONPMJF-MRXNPFEDSA-N 2 0 365.522 -0.175 20 0 FBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000633138441 485123606 /nfs/dbraw/zinc/12/36/06/485123606.db2.gz CCJSISOULIJEFF-BZUAXINKSA-N 2 0 351.495 -0.437 20 0 FBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000633138442 485123571 /nfs/dbraw/zinc/12/35/71/485123571.db2.gz CCJSISOULIJEFF-OAGGEKHMSA-N 2 0 351.495 -0.437 20 0 FBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000633138443 485123380 /nfs/dbraw/zinc/12/33/80/485123380.db2.gz CCJSISOULIJEFF-OWCLPIDISA-N 2 0 351.495 -0.437 20 0 FBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000633138444 485123424 /nfs/dbraw/zinc/12/34/24/485123424.db2.gz CCJSISOULIJEFF-PMPSAXMXSA-N 2 0 351.495 -0.437 20 0 FBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000633149360 485123633 /nfs/dbraw/zinc/12/36/33/485123633.db2.gz WWNCQALESISPNC-DNLWUEFJSA-N 2 0 363.506 -0.296 20 0 FBADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000633149361 485123478 /nfs/dbraw/zinc/12/34/78/485123478.db2.gz WWNCQALESISPNC-HCMIALLCSA-N 2 0 363.506 -0.296 20 0 FBADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000633149362 485123283 /nfs/dbraw/zinc/12/32/83/485123283.db2.gz WWNCQALESISPNC-UIJGJVKASA-N 2 0 363.506 -0.296 20 0 FBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000633149363 485123623 /nfs/dbraw/zinc/12/36/23/485123623.db2.gz WWNCQALESISPNC-VPEURPPWSA-N 2 0 363.506 -0.296 20 0 FBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000633149962 485124652 /nfs/dbraw/zinc/12/46/52/485124652.db2.gz XZJJFLVWTCYIBF-FPCVCCKLSA-N 2 0 351.495 -0.581 20 0 FBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000633149963 485123948 /nfs/dbraw/zinc/12/39/48/485123948.db2.gz XZJJFLVWTCYIBF-KLHDSHLOSA-N 2 0 351.495 -0.581 20 0 FBADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000633149964 485124786 /nfs/dbraw/zinc/12/47/86/485124786.db2.gz XZJJFLVWTCYIBF-QKPAOTATSA-N 2 0 351.495 -0.581 20 0 FBADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000633149965 485124151 /nfs/dbraw/zinc/12/41/51/485124151.db2.gz XZJJFLVWTCYIBF-QXSJWSMHSA-N 2 0 351.495 -0.581 20 0 FBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000633149995 485124931 /nfs/dbraw/zinc/12/49/31/485124931.db2.gz YOAHETJHSNHSLX-CVEARBPZSA-N 2 0 365.522 -0.189 20 0 FBADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000633149996 485124350 /nfs/dbraw/zinc/12/43/50/485124350.db2.gz YOAHETJHSNHSLX-HOTGVXAUSA-N 2 0 365.522 -0.189 20 0 FBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000633149997 485124489 /nfs/dbraw/zinc/12/44/89/485124489.db2.gz YOAHETJHSNHSLX-HZPDHXFCSA-N 2 0 365.522 -0.189 20 0 FBADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000633149998 485124431 /nfs/dbraw/zinc/12/44/31/485124431.db2.gz YOAHETJHSNHSLX-JKSUJKDBSA-N 2 0 365.522 -0.189 20 0 FBADRP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)COC2)CC[NH+]1C ZINC000633917043 485132810 /nfs/dbraw/zinc/13/28/10/485132810.db2.gz UKBQXWAXPRGZJB-KBUPBQIOSA-N 2 0 352.479 -0.332 20 0 FBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000635543016 484037870 /nfs/dbraw/zinc/03/78/70/484037870.db2.gz KHYOHRAJJNDPBN-CVEARBPZSA-N 2 0 352.479 -0.092 20 0 FBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000635543017 484037621 /nfs/dbraw/zinc/03/76/21/484037621.db2.gz KHYOHRAJJNDPBN-HOTGVXAUSA-N 2 0 352.479 -0.092 20 0 FBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000635543018 484037883 /nfs/dbraw/zinc/03/78/83/484037883.db2.gz KHYOHRAJJNDPBN-HZPDHXFCSA-N 2 0 352.479 -0.092 20 0 FBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000635543019 484037433 /nfs/dbraw/zinc/03/74/33/484037433.db2.gz KHYOHRAJJNDPBN-JKSUJKDBSA-N 2 0 352.479 -0.092 20 0 FBADRP C[NH+](C)CCNC(=O)C1CCN(C(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000635560151 484055297 /nfs/dbraw/zinc/05/52/97/484055297.db2.gz YMKWXUSBEPZNNE-CVEARBPZSA-N 2 0 352.479 -0.234 20 0 FBADRP C[NH+](C)CCNC(=O)C1CCN(C(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000635560160 484054536 /nfs/dbraw/zinc/05/45/36/484054536.db2.gz YMKWXUSBEPZNNE-HOTGVXAUSA-N 2 0 352.479 -0.234 20 0 FBADRP C[NH+](C)CCNC(=O)C1CCN(C(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000635560162 484055232 /nfs/dbraw/zinc/05/52/32/484055232.db2.gz YMKWXUSBEPZNNE-HZPDHXFCSA-N 2 0 352.479 -0.234 20 0 FBADRP C[NH+](C)CCNC(=O)C1CCN(C(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000635560164 484054457 /nfs/dbraw/zinc/05/44/57/484054457.db2.gz YMKWXUSBEPZNNE-JKSUJKDBSA-N 2 0 352.479 -0.234 20 0 FBADRP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000635573676 484065120 /nfs/dbraw/zinc/06/51/20/484065120.db2.gz YJVUAOAMDLPMPO-KRWDZBQOSA-N 2 0 368.522 -0.133 20 0 FBADRP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000635573677 484065799 /nfs/dbraw/zinc/06/57/99/484065799.db2.gz YJVUAOAMDLPMPO-QGZVFWFLSA-N 2 0 368.522 -0.133 20 0 FBADRP C[C@H](C(=O)N1CCN(C(=O)[C@@H](C)[NH+](C)C)[C@H](C(=O)N(C)C)C1)[NH+](C)C ZINC000635700679 484099328 /nfs/dbraw/zinc/09/93/28/484099328.db2.gz UBXBMUZGXSLTNT-MCIONIFRSA-N 2 0 355.483 -0.986 20 0 FBADRP C[C@H](C(=O)N1CCN(C(=O)[C@@H](C)[NH+](C)C)[C@@H](C(=O)N(C)C)C1)[NH+](C)C ZINC000635700694 484099439 /nfs/dbraw/zinc/09/94/39/484099439.db2.gz UBXBMUZGXSLTNT-MGPQQGTHSA-N 2 0 355.483 -0.986 20 0 FBADRP C[C@H](C(=O)NCCC(=O)N1CCN(C(=O)[C@@H](C)[NH+](C)C)CC1)[NH+](C)C ZINC000635746130 484111180 /nfs/dbraw/zinc/11/11/80/484111180.db2.gz BCPXLNURKFVAIP-ZIAGYGMSSA-N 2 0 355.483 -0.936 20 0 FBADRP C[C@@H](C(=O)NCCN(CCN1CCOCC1)C(=O)[C@H](C)[NH+](C)C)[NH+](C)C ZINC000635800581 484114812 /nfs/dbraw/zinc/11/48/12/484114812.db2.gz BQMRGQVNOLNAJS-HOTGVXAUSA-N 2 0 371.526 -0.836 20 0 FBADRP C[C@H](C(=O)NCCN(CCN1CCOCC1)C(=O)[C@@H](C)[NH+](C)C)[NH+](C)C ZINC000635800582 484115118 /nfs/dbraw/zinc/11/51/18/484115118.db2.gz BQMRGQVNOLNAJS-HZPDHXFCSA-N 2 0 371.526 -0.836 20 0 FBADRP COCC[N@H+](C)CCN1C[C@H](NC(=O)[C@H]2C[NH+]3CCC[C@@H]3CO2)CC1=O ZINC000635933113 484122392 /nfs/dbraw/zinc/12/23/92/484122392.db2.gz FDBXIEPVXRUKSN-BZUAXINKSA-N 2 0 368.478 -0.855 20 0 FBADRP COCC[N@H+](C)CCN1C[C@H](NC(=O)[C@@H]2C[NH+]3CCC[C@@H]3CO2)CC1=O ZINC000635933124 484122582 /nfs/dbraw/zinc/12/25/82/484122582.db2.gz FDBXIEPVXRUKSN-OAGGEKHMSA-N 2 0 368.478 -0.855 20 0 FBADRP COCC[N@H+](C)CCN1C[C@H](NC(=O)[C@H]2C[NH+]3CCC[C@H]3CO2)CC1=O ZINC000635933125 484121944 /nfs/dbraw/zinc/12/19/44/484121944.db2.gz FDBXIEPVXRUKSN-OWCLPIDISA-N 2 0 368.478 -0.855 20 0 FBADRP COCC[N@H+](C)CCN1C[C@H](NC(=O)[C@@H]2C[NH+]3CCC[C@H]3CO2)CC1=O ZINC000635933126 484122425 /nfs/dbraw/zinc/12/24/25/484122425.db2.gz FDBXIEPVXRUKSN-PMPSAXMXSA-N 2 0 368.478 -0.855 20 0 FBADRP CN(C[C@@H](O)CNC(=O)C1(C[NH+](C)C)CC1)C(=O)C1(C[NH+](C)C)CC1 ZINC000635957843 484124467 /nfs/dbraw/zinc/12/44/67/484124467.db2.gz OMABHPQXCIEIQL-AWEZNQCLSA-N 2 0 354.495 -0.395 20 0 FBADRP CN(C[C@H](O)CNC(=O)C1(C[NH+](C)C)CC1)C(=O)C1(C[NH+](C)C)CC1 ZINC000635957844 484124113 /nfs/dbraw/zinc/12/41/13/484124113.db2.gz OMABHPQXCIEIQL-CQSZACIVSA-N 2 0 354.495 -0.395 20 0 FBADRP CN(C[C@@H](O)CNC(=O)[C@@H]1CCCC[N@@H+]1C)C(=O)[C@@H]1CCCC[NH+]1C ZINC000635958296 484123313 /nfs/dbraw/zinc/12/33/13/484123313.db2.gz VAIBNYCNRPDQGH-JYJNAYRXSA-N 2 0 354.495 -0.110 20 0 FBADRP CN(CCC[NH+](C)C)CCNC(=O)[C@@H]1C[C@@H](O)CN1c1ccncn1 ZINC000636172616 484199025 /nfs/dbraw/zinc/19/90/25/484199025.db2.gz ZAGMUAGYENJMAU-CABCVRRESA-N 2 0 350.467 -0.584 20 0 FBADRP CN(CCC[NH+](C)C)CCNC(=O)[C@@H]1C[C@H](O)CN1c1ccncn1 ZINC000636172617 484199060 /nfs/dbraw/zinc/19/90/60/484199060.db2.gz ZAGMUAGYENJMAU-GJZGRUSLSA-N 2 0 350.467 -0.584 20 0 FBADRP CN(CCC[NH+](C)C)CCNC(=O)[C@H]1C[C@@H](O)CN1c1ccncn1 ZINC000636172618 484199683 /nfs/dbraw/zinc/19/96/83/484199683.db2.gz ZAGMUAGYENJMAU-HUUCEWRRSA-N 2 0 350.467 -0.584 20 0 FBADRP CN(CCC[NH+](C)C)CCNC(=O)[C@H]1C[C@H](O)CN1c1ccncn1 ZINC000636172619 484199615 /nfs/dbraw/zinc/19/96/15/484199615.db2.gz ZAGMUAGYENJMAU-LSDHHAIUSA-N 2 0 350.467 -0.584 20 0 FBADRP C[NH+](C)CC1(C(=O)NCC2(NC(=O)C3(C[NH+](C)C)CC3)COC2)CC1 ZINC000636307086 484241444 /nfs/dbraw/zinc/24/14/44/484241444.db2.gz IZUXDGVKPYYAKI-UHFFFAOYSA-N 2 0 352.479 -0.329 20 0 FBADRP C[NH+]1CCCC[C@H]1C(=O)NC1(CNC(=O)[C@@H]2CCCC[N@H+]2C)COC1 ZINC000636307286 484243159 /nfs/dbraw/zinc/24/31/59/484243159.db2.gz JHHCOZRIIOTDJA-GJZGRUSLSA-N 2 0 352.479 -0.044 20 0 FBADRP C[NH+]1CC[C@@H](CC(=O)NC2(CNC(=O)C[C@H]3CC[N@@H+](C)C3)COC2)C1 ZINC000636307821 484243382 /nfs/dbraw/zinc/24/33/82/484243382.db2.gz QTLQUJJDLDFTLQ-CABCVRRESA-N 2 0 352.479 -0.329 20 0 FBADRP C[NH+]1CC[C@@H](CC(=O)NC2(CNC(=O)C[C@@H]3CC[N@@H+](C)C3)COC2)C1 ZINC000636307822 484243629 /nfs/dbraw/zinc/24/36/29/484243629.db2.gz QTLQUJJDLDFTLQ-GJZGRUSLSA-N 2 0 352.479 -0.329 20 0 FBADRP C[NH+]1CC[C@H](CC(=O)NC2(CNC(=O)C[C@H]3CC[N@@H+](C)C3)COC2)C1 ZINC000636307823 484243479 /nfs/dbraw/zinc/24/34/79/484243479.db2.gz QTLQUJJDLDFTLQ-HUUCEWRRSA-N 2 0 352.479 -0.329 20 0 FBADRP C[NH+]1CC[C@H](CC(=O)NC2(CNC(=O)C[C@@H]3CC[N@@H+](C)C3)COC2)C1 ZINC000636307824 484243046 /nfs/dbraw/zinc/24/30/46/484243046.db2.gz QTLQUJJDLDFTLQ-LSDHHAIUSA-N 2 0 352.479 -0.329 20 0 FBADRP C[NH+]1CCC(NC(=O)C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)CC1 ZINC000636458804 484326591 /nfs/dbraw/zinc/32/65/91/484326591.db2.gz PUOCIOZAPYHRRB-UHFFFAOYSA-N 2 0 352.479 -0.090 20 0 FBADRP C[NH+]1CCN(c2ccc(CNC(=O)NCC[N@@H+]3CC[C@H](O)C3)cn2)CC1 ZINC000636517419 483502677 /nfs/dbraw/zinc/50/26/77/483502677.db2.gz JKVZEHOVJUJKPO-INIZCTEOSA-N 2 0 362.478 -0.301 20 0 FBADRP C[NH+]1CCN(c2ccc(CNC(=O)NCC[N@@H+]3CC[C@@H](O)C3)cn2)CC1 ZINC000636517420 483502910 /nfs/dbraw/zinc/50/29/10/483502910.db2.gz JKVZEHOVJUJKPO-MRXNPFEDSA-N 2 0 362.478 -0.301 20 0 FBADRP C[NH+]1CCN(c2cc(CNC(=O)NCC[N@@H+]3CC[C@H](O)C3)ccn2)CC1 ZINC000636539666 483530077 /nfs/dbraw/zinc/53/00/77/483530077.db2.gz YJBCQIJWQMBUOD-INIZCTEOSA-N 2 0 362.478 -0.301 20 0 FBADRP C[NH+]1CCN(c2cc(CNC(=O)NCC[N@@H+]3CC[C@@H](O)C3)ccn2)CC1 ZINC000636539667 483530779 /nfs/dbraw/zinc/53/07/79/483530779.db2.gz YJBCQIJWQMBUOD-MRXNPFEDSA-N 2 0 362.478 -0.301 20 0 FBADRP C[N@H+](CCNC(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1)C1CC1 ZINC000636612815 483593474 /nfs/dbraw/zinc/59/34/74/483593474.db2.gz QASMZDCKBKGOFA-UHFFFAOYSA-N 2 0 352.479 -0.090 20 0 FBADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)NC[C@]1(N2CCOCC2)CCSC1 ZINC000636628266 483596212 /nfs/dbraw/zinc/59/62/12/483596212.db2.gz MHHQRTWWCKTATN-GDBMZVCRSA-N 2 0 358.508 -0.440 20 0 FBADRP O=C(NCC[N@H+]1CC[C@H](O)C1)NC[C@]1(N2CCOCC2)CCSC1 ZINC000636628267 483596244 /nfs/dbraw/zinc/59/62/44/483596244.db2.gz MHHQRTWWCKTATN-GOEBONIOSA-N 2 0 358.508 -0.440 20 0 FBADRP O=C(NCC[N@H+]1CC[C@H](O)C1)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000636628268 483596530 /nfs/dbraw/zinc/59/65/30/483596530.db2.gz MHHQRTWWCKTATN-HOCLYGCPSA-N 2 0 358.508 -0.440 20 0 FBADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000636628269 483596017 /nfs/dbraw/zinc/59/60/17/483596017.db2.gz MHHQRTWWCKTATN-ZBFHGGJFSA-N 2 0 358.508 -0.440 20 0 FBADRP C[NH+]1CCN(c2ncccc2CNC(=O)NCC[N@@H+]2CC[C@H](O)C2)CC1 ZINC000636655940 483634326 /nfs/dbraw/zinc/63/43/26/483634326.db2.gz YDOAAPOKGILWBC-INIZCTEOSA-N 2 0 362.478 -0.301 20 0 FBADRP C[NH+]1CCN(c2ncccc2CNC(=O)NCC[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000636655941 483634261 /nfs/dbraw/zinc/63/42/61/483634261.db2.gz YDOAAPOKGILWBC-MRXNPFEDSA-N 2 0 362.478 -0.301 20 0 FBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000636661266 483659602 /nfs/dbraw/zinc/65/96/02/483659602.db2.gz HETWZAAAUNACRM-UHFFFAOYSA-N 2 0 370.494 -0.606 20 0 FBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CC[NH+]2C2CCCC2)C1 ZINC000636678319 483823859 /nfs/dbraw/zinc/82/38/59/483823859.db2.gz XLCMVULSGXBHMO-GDBMZVCRSA-N 2 0 352.479 -0.044 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CC[NH+]2C2CCCC2)C1 ZINC000636678321 483823730 /nfs/dbraw/zinc/82/37/30/483823730.db2.gz XLCMVULSGXBHMO-GOEBONIOSA-N 2 0 352.479 -0.044 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CC[NH+]2C2CCCC2)C1 ZINC000636678324 483823866 /nfs/dbraw/zinc/82/38/66/483823866.db2.gz XLCMVULSGXBHMO-HOCLYGCPSA-N 2 0 352.479 -0.044 20 0 FBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CC[NH+]2C2CCCC2)C1 ZINC000636678326 483823807 /nfs/dbraw/zinc/82/38/07/483823807.db2.gz XLCMVULSGXBHMO-ZBFHGGJFSA-N 2 0 352.479 -0.044 20 0 FBADRP CN1CCC([NH+]2CCC(NC(=O)NCC[N@@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000636680393 483826110 /nfs/dbraw/zinc/82/61/10/483826110.db2.gz LHQPAHQSHOGJPJ-KRWDZBQOSA-N 2 0 353.511 -0.089 20 0 FBADRP CN1CCC([NH+]2CCC(NC(=O)NCC[N@@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000636680394 483826399 /nfs/dbraw/zinc/82/63/99/483826399.db2.gz LHQPAHQSHOGJPJ-QGZVFWFLSA-N 2 0 353.511 -0.089 20 0 FBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCC[NH+]1CC[C@@H](O)C1 ZINC000636700114 483832676 /nfs/dbraw/zinc/83/26/76/483832676.db2.gz LSPROHDDFSEBHT-CABCVRRESA-N 2 0 355.483 -0.705 20 0 FBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCC[NH+]1CC[C@H](O)C1 ZINC000636700115 483832480 /nfs/dbraw/zinc/83/24/80/483832480.db2.gz LSPROHDDFSEBHT-GJZGRUSLSA-N 2 0 355.483 -0.705 20 0 FBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCC[NH+]1CC[C@@H](O)C1 ZINC000636700116 483832586 /nfs/dbraw/zinc/83/25/86/483832586.db2.gz LSPROHDDFSEBHT-HUUCEWRRSA-N 2 0 355.483 -0.705 20 0 FBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCC[NH+]1CC[C@H](O)C1 ZINC000636700117 483832462 /nfs/dbraw/zinc/83/24/62/483832462.db2.gz LSPROHDDFSEBHT-LSDHHAIUSA-N 2 0 355.483 -0.705 20 0 FBADRP CCC1([NH+](C)C)CCN(C(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)CC1 ZINC000636701261 483832743 /nfs/dbraw/zinc/83/27/43/483832743.db2.gz KTSIXXJVEFZEGO-HNNXBMFYSA-N 2 0 353.511 -0.319 20 0 FBADRP CCC1([NH+](C)C)CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC000636701262 483832620 /nfs/dbraw/zinc/83/26/20/483832620.db2.gz KTSIXXJVEFZEGO-OAHLLOKOSA-N 2 0 353.511 -0.319 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000636702569 483833125 /nfs/dbraw/zinc/83/31/25/483833125.db2.gz XBJSVPCGZRMAAM-INIZCTEOSA-N 2 0 365.522 -0.175 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000636702570 483832891 /nfs/dbraw/zinc/83/28/91/483832891.db2.gz XBJSVPCGZRMAAM-MRXNPFEDSA-N 2 0 365.522 -0.175 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[NH+]1C1CCCC1 ZINC000636716645 483836220 /nfs/dbraw/zinc/83/62/20/483836220.db2.gz QKHRNQQJJPSRIP-CVEARBPZSA-N 2 0 351.495 -0.519 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[NH+]1C1CCCC1 ZINC000636716646 483836156 /nfs/dbraw/zinc/83/61/56/483836156.db2.gz QKHRNQQJJPSRIP-HOTGVXAUSA-N 2 0 351.495 -0.519 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@H]1CC[NH+]1C1CCCC1 ZINC000636716647 483836396 /nfs/dbraw/zinc/83/63/96/483836396.db2.gz QKHRNQQJJPSRIP-HZPDHXFCSA-N 2 0 351.495 -0.519 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[NH+]1C1CCCC1 ZINC000636716648 483836542 /nfs/dbraw/zinc/83/65/42/483836542.db2.gz QKHRNQQJJPSRIP-JKSUJKDBSA-N 2 0 351.495 -0.519 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[NH+]1C1CCCCC1 ZINC000636716673 483836191 /nfs/dbraw/zinc/83/61/91/483836191.db2.gz QUAUWEJJLFKJCL-DLBZAZTESA-N 2 0 365.522 -0.128 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@H]1CC[NH+]1C1CCCCC1 ZINC000636716674 483836658 /nfs/dbraw/zinc/83/66/58/483836658.db2.gz QUAUWEJJLFKJCL-IAGOWNOFSA-N 2 0 365.522 -0.128 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[NH+]1C1CCCCC1 ZINC000636716675 483836463 /nfs/dbraw/zinc/83/64/63/483836463.db2.gz QUAUWEJJLFKJCL-IRXDYDNUSA-N 2 0 365.522 -0.128 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[NH+]1C1CCCCC1 ZINC000636716676 483836328 /nfs/dbraw/zinc/83/63/28/483836328.db2.gz QUAUWEJJLFKJCL-SJORKVTESA-N 2 0 365.522 -0.128 20 0 FBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCC[N@@H+]2CC[C@H](O)C2)CC1 ZINC000636759417 483842467 /nfs/dbraw/zinc/84/24/67/483842467.db2.gz OFTFGRNSKQMCIC-HNNXBMFYSA-N 2 0 355.483 -0.705 20 0 FBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000636759418 483842713 /nfs/dbraw/zinc/84/27/13/483842713.db2.gz OFTFGRNSKQMCIC-OAHLLOKOSA-N 2 0 355.483 -0.705 20 0 FBADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)N3CC(NS(C)(=O)=O)C3)C2)CC1 ZINC000636790789 483848632 /nfs/dbraw/zinc/84/86/32/483848632.db2.gz BOTJUJSXYUSUJJ-GFCCVEGCSA-N 2 0 359.496 -0.902 20 0 FBADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)N3CC(NS(C)(=O)=O)C3)C2)CC1 ZINC000636790790 483848819 /nfs/dbraw/zinc/84/88/19/483848819.db2.gz BOTJUJSXYUSUJJ-LBPRGKRZSA-N 2 0 359.496 -0.902 20 0 FBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000636799311 483850113 /nfs/dbraw/zinc/85/01/13/483850113.db2.gz OQUSNBQHERUIMQ-UHFFFAOYSA-N 2 0 370.494 -0.606 20 0 FBADRP COCCC[N@H+](C)CCNC(=O)NC[C@@]1(CO)COCC2(CCC2)N1C ZINC000636846499 483854624 /nfs/dbraw/zinc/85/46/24/483854624.db2.gz QUWDEPITCZGWJZ-GOSISDBHSA-N 2 0 372.510 -0.130 20 0 FBADRP COCCC[N@H+](C)CCNC(=O)NC[C@]1(CO)COCC2(CCC2)N1C ZINC000636846503 483854573 /nfs/dbraw/zinc/85/45/73/483854573.db2.gz QUWDEPITCZGWJZ-SFHVURJKSA-N 2 0 372.510 -0.130 20 0 FBADRP C[NH+](C)CCOc1cc(CNC(=O)NCC[N@@H+]2CC[C@H](O)C2)ccn1 ZINC000636990082 483867181 /nfs/dbraw/zinc/86/71/81/483867181.db2.gz CWBRVCHDVOQJJC-HNNXBMFYSA-N 2 0 351.451 -0.112 20 0 FBADRP C[NH+](C)CCOc1cc(CNC(=O)NCC[N@@H+]2CC[C@@H](O)C2)ccn1 ZINC000636990083 483866983 /nfs/dbraw/zinc/86/69/83/483866983.db2.gz CWBRVCHDVOQJJC-OAHLLOKOSA-N 2 0 351.451 -0.112 20 0 FBADRP CN1C2(CCC2)COC[C@@]1(CO)CNC(=O)NCCOCC[NH+](C)C ZINC000637079286 483872325 /nfs/dbraw/zinc/87/23/25/483872325.db2.gz VGVXDNLDAANWAU-KRWDZBQOSA-N 2 0 358.483 -0.520 20 0 FBADRP CN1C2(CCC2)COC[C@]1(CO)CNC(=O)NCCOCC[NH+](C)C ZINC000637079287 483872269 /nfs/dbraw/zinc/87/22/69/483872269.db2.gz VGVXDNLDAANWAU-QGZVFWFLSA-N 2 0 358.483 -0.520 20 0 FBADRP C[NH+]1CCC(CNC(=O)NCC[N@@H+]2CC[C@H](O)C2)(N2CCOCC2)CC1 ZINC000637216902 483887560 /nfs/dbraw/zinc/88/75/60/483887560.db2.gz PZPJVYBFFKAXHD-INIZCTEOSA-N 2 0 369.510 -0.851 20 0 FBADRP C[NH+]1CCC(CNC(=O)NCC[N@@H+]2CC[C@@H](O)C2)(N2CCOCC2)CC1 ZINC000637216903 483887767 /nfs/dbraw/zinc/88/77/67/483887767.db2.gz PZPJVYBFFKAXHD-MRXNPFEDSA-N 2 0 369.510 -0.851 20 0 FBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000637283714 483894616 /nfs/dbraw/zinc/89/46/16/483894616.db2.gz AFXWRKRUZZGMOO-CVEARBPZSA-N 2 0 367.494 -0.121 20 0 FBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000637283719 483894574 /nfs/dbraw/zinc/89/45/74/483894574.db2.gz AFXWRKRUZZGMOO-HOTGVXAUSA-N 2 0 367.494 -0.121 20 0 FBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000637375399 483898342 /nfs/dbraw/zinc/89/83/42/483898342.db2.gz LBMWWVUSATZXLH-INIZCTEOSA-N 2 0 368.526 -0.395 20 0 FBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000637375547 483898372 /nfs/dbraw/zinc/89/83/72/483898372.db2.gz VGAXGAHLWZEUPL-CABCVRRESA-N 2 0 353.467 -0.558 20 0 FBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCN([C@H]2CCOC2)CC1 ZINC000637375548 483898309 /nfs/dbraw/zinc/89/83/09/483898309.db2.gz VGAXGAHLWZEUPL-GJZGRUSLSA-N 2 0 353.467 -0.558 20 0 FBADRP C[C@H](CN1CCOCC1)N(C)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000637375744 483898814 /nfs/dbraw/zinc/89/88/14/483898814.db2.gz RMGKBBPDALEVTR-CABCVRRESA-N 2 0 355.483 -0.312 20 0 FBADRP C[C@@H](CN1CCOCC1)N(C)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000637375745 483898833 /nfs/dbraw/zinc/89/88/33/483898833.db2.gz RMGKBBPDALEVTR-GJZGRUSLSA-N 2 0 355.483 -0.312 20 0 FBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCC[C@@H]1CN1CCOCC1 ZINC000637376177 483898175 /nfs/dbraw/zinc/89/81/75/483898175.db2.gz DTFVDWDIIYWOBQ-CVEARBPZSA-N 2 0 367.494 -0.168 20 0 FBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000637376575 483898522 /nfs/dbraw/zinc/89/85/22/483898522.db2.gz QNOCCSULSTXQCT-CVEARBPZSA-N 2 0 367.494 -0.168 20 0 FBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000637376577 483898785 /nfs/dbraw/zinc/89/87/85/483898785.db2.gz QNOCCSULSTXQCT-HOTGVXAUSA-N 2 0 367.494 -0.168 20 0 FBADRP COC1CC[NH+](CCNC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000637376808 483898095 /nfs/dbraw/zinc/89/80/95/483898095.db2.gz QDDKHQVDNUBZPM-HNNXBMFYSA-N 2 0 355.483 -0.264 20 0 FBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000637377197 483898952 /nfs/dbraw/zinc/89/89/52/483898952.db2.gz VZULWJYGQKLAET-CVEARBPZSA-N 2 0 367.494 -0.310 20 0 FBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000637377198 483899389 /nfs/dbraw/zinc/89/93/89/483899389.db2.gz VZULWJYGQKLAET-HOTGVXAUSA-N 2 0 367.494 -0.310 20 0 FBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000637377216 483899063 /nfs/dbraw/zinc/89/90/63/483899063.db2.gz XBUXCJCLHIXIRZ-INIZCTEOSA-N 2 0 367.494 -0.168 20 0 FBADRP C[NH+](C)C[C@@](C)(O)CNC(=O)NC[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000637532219 483926895 /nfs/dbraw/zinc/92/68/95/483926895.db2.gz UOXGEKPHUDBSIP-AEFFLSMTSA-N 2 0 365.478 -0.106 20 0 FBADRP C[NH+](C)C[C@](C)(O)CNC(=O)NC[C@H]1CN(Cc2ccncc2)CCO1 ZINC000637532229 483926334 /nfs/dbraw/zinc/92/63/34/483926334.db2.gz UOXGEKPHUDBSIP-FUHWJXTLSA-N 2 0 365.478 -0.106 20 0 FBADRP C[NH+](C)C[C@](C)(O)CNC(=O)NC[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000637532232 483925604 /nfs/dbraw/zinc/92/56/04/483925604.db2.gz UOXGEKPHUDBSIP-SJLPKXTDSA-N 2 0 365.478 -0.106 20 0 FBADRP C[NH+](C)C[C@@](C)(O)CNC(=O)NC[C@H]1CN(Cc2ccncc2)CCO1 ZINC000637532235 483926959 /nfs/dbraw/zinc/92/69/59/483926959.db2.gz UOXGEKPHUDBSIP-WMZOPIPTSA-N 2 0 365.478 -0.106 20 0 FBADRP C[NH+](C)CCn1c2cc(C(=O)NCCN3CC[NH2+]CC3)ccc2[nH]c1=O ZINC000637810147 483678307 /nfs/dbraw/zinc/67/83/07/483678307.db2.gz CJDZEMXBOGYICQ-UHFFFAOYSA-N 2 0 360.462 -0.062 20 0 FBADRP COC[C@@]1(C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CCCC[NH2+]1 ZINC000637813025 483678440 /nfs/dbraw/zinc/67/84/40/483678440.db2.gz ICVSVYFLZFUBLV-CRAIPNDOSA-N 2 0 352.479 -0.185 20 0 FBADRP COC[C@@]1(C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CCCC[NH2+]1 ZINC000637813026 483678743 /nfs/dbraw/zinc/67/87/43/483678743.db2.gz ICVSVYFLZFUBLV-MAUKXSAKSA-N 2 0 352.479 -0.185 20 0 FBADRP COC[C@]1(C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CCCC[NH2+]1 ZINC000637813027 483678753 /nfs/dbraw/zinc/67/87/53/483678753.db2.gz ICVSVYFLZFUBLV-QAPCUYQASA-N 2 0 352.479 -0.185 20 0 FBADRP COC[C@]1(C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CCCC[NH2+]1 ZINC000637813028 483678256 /nfs/dbraw/zinc/67/82/56/483678256.db2.gz ICVSVYFLZFUBLV-YJBOKZPZSA-N 2 0 352.479 -0.185 20 0 FBADRP C[NH+](C)CCn1cc(C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cn1 ZINC000637813671 483678334 /nfs/dbraw/zinc/67/83/34/483678334.db2.gz RDWZKHXNNZUANF-HNNXBMFYSA-N 2 0 362.478 -0.271 20 0 FBADRP C[NH+](C)CCn1cc(C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cn1 ZINC000637813674 483678574 /nfs/dbraw/zinc/67/85/74/483678574.db2.gz RDWZKHXNNZUANF-OAHLLOKOSA-N 2 0 362.478 -0.271 20 0 FBADRP [NH3+]C1(CC(=O)NCC(=O)N2CC[NH2+]CC2)CCN(Cc2ccccc2)CC1 ZINC000637814343 483678662 /nfs/dbraw/zinc/67/86/62/483678662.db2.gz YVKCZGOUONCCNO-UHFFFAOYSA-N 2 0 373.501 -0.082 20 0 FBADRP COC[C@@]1(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CCCC[NH2+]1 ZINC000638100277 483692423 /nfs/dbraw/zinc/69/24/23/483692423.db2.gz XVABZILBNFPKBG-GOSISDBHSA-N 2 0 352.479 -0.088 20 0 FBADRP COC[C@]1(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CCCC[NH2+]1 ZINC000638100278 483692003 /nfs/dbraw/zinc/69/20/03/483692003.db2.gz XVABZILBNFPKBG-SFHVURJKSA-N 2 0 352.479 -0.088 20 0 FBADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)CN3CC[NH2+]CC3)c2)C1 ZINC000638100797 483692337 /nfs/dbraw/zinc/69/23/37/483692337.db2.gz AIKNUGFVPZNGNA-GOSISDBHSA-N 2 0 373.501 -0.095 20 0 FBADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)CN3CC[NH2+]CC3)c2)C1 ZINC000638100798 483692492 /nfs/dbraw/zinc/69/24/92/483692492.db2.gz AIKNUGFVPZNGNA-SFHVURJKSA-N 2 0 373.501 -0.095 20 0 FBADRP C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)[C@H](C)N1CCNCC1=O ZINC000638116773 483692817 /nfs/dbraw/zinc/69/28/17/483692817.db2.gz GNLQPOQVGGADIZ-CVEARBPZSA-N 2 0 374.489 -0.471 20 0 FBADRP C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)[C@H](C)N1CCNCC1=O ZINC000638116777 483692991 /nfs/dbraw/zinc/69/29/91/483692991.db2.gz GNLQPOQVGGADIZ-HOTGVXAUSA-N 2 0 374.489 -0.471 20 0 FBADRP C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)[C@@H](C)N1CCNCC1=O ZINC000638116779 483693005 /nfs/dbraw/zinc/69/30/05/483693005.db2.gz GNLQPOQVGGADIZ-HZPDHXFCSA-N 2 0 374.489 -0.471 20 0 FBADRP C[C@H](C(=O)N[C@@H](C)CN1CCN(c2ccccn2)CC1)N1CCNCC1=O ZINC000638116781 483692733 /nfs/dbraw/zinc/69/27/33/483692733.db2.gz GNLQPOQVGGADIZ-JKSUJKDBSA-N 2 0 374.489 -0.471 20 0 FBADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)CN2CC[NH2+]CC2)CC1 ZINC000638131240 483699631 /nfs/dbraw/zinc/69/96/31/483699631.db2.gz KWRICWVWBNCLLR-UHFFFAOYSA-N 2 0 353.511 -0.366 20 0 FBADRP C[C@]1(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)C[NH2+]CCO1 ZINC000638140615 483703984 /nfs/dbraw/zinc/70/39/84/483703984.db2.gz OAZHDGRVBRDAPX-GOSISDBHSA-N 2 0 362.478 -0.127 20 0 FBADRP C[C@@]1(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)C[NH2+]CCO1 ZINC000638140617 483704156 /nfs/dbraw/zinc/70/41/56/483704156.db2.gz OAZHDGRVBRDAPX-SFHVURJKSA-N 2 0 362.478 -0.127 20 0 FBADRP COC[C@]1(C(=O)N2CCO[C@H](CN3CC[NH+](C)CC3)C2)CCCC[NH2+]1 ZINC000638141297 483703622 /nfs/dbraw/zinc/70/36/22/483703622.db2.gz SHYUUMLCTZVNFD-AEFFLSMTSA-N 2 0 354.495 -0.380 20 0 FBADRP COC[C@@]1(C(=O)N2CCO[C@@H](CN3CC[NH+](C)CC3)C2)CCCC[NH2+]1 ZINC000638141299 483704051 /nfs/dbraw/zinc/70/40/51/483704051.db2.gz SHYUUMLCTZVNFD-FUHWJXTLSA-N 2 0 354.495 -0.380 20 0 FBADRP COC[C@@]1(C(=O)N2CCO[C@H](CN3CC[NH+](C)CC3)C2)CCCC[NH2+]1 ZINC000638141302 483704169 /nfs/dbraw/zinc/70/41/69/483704169.db2.gz SHYUUMLCTZVNFD-SJLPKXTDSA-N 2 0 354.495 -0.380 20 0 FBADRP COC[C@]1(C(=O)N2CCO[C@@H](CN3CC[NH+](C)CC3)C2)CCCC[NH2+]1 ZINC000638141305 483703665 /nfs/dbraw/zinc/70/36/65/483703665.db2.gz SHYUUMLCTZVNFD-WMZOPIPTSA-N 2 0 354.495 -0.380 20 0 FBADRP C[C@@H](C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCNCC1=O ZINC000638142125 483705387 /nfs/dbraw/zinc/70/53/87/483705387.db2.gz YKXGSIHKJWHNNM-INIZCTEOSA-N 2 0 374.489 -0.470 20 0 FBADRP C[C@H](C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCNCC1=O ZINC000638142127 483705064 /nfs/dbraw/zinc/70/50/64/483705064.db2.gz YKXGSIHKJWHNNM-MRXNPFEDSA-N 2 0 374.489 -0.470 20 0 FBADRP O=C(CN1CC[NH2+]CC1)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000638142402 483705505 /nfs/dbraw/zinc/70/55/05/483705505.db2.gz ZOKUYNDNQOHMEJ-UHFFFAOYSA-N 2 0 361.494 -0.600 20 0 FBADRP [NH3+]C[C@]1(C(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CCCOC1 ZINC000638146788 483707885 /nfs/dbraw/zinc/70/78/85/483707885.db2.gz HHFBSSJWVGSRLP-HDMKZQKVSA-N 2 0 352.479 -0.151 20 0 FBADRP [NH3+]C[C@]1(C(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CCCOC1 ZINC000638146790 483708385 /nfs/dbraw/zinc/70/83/85/483708385.db2.gz HHFBSSJWVGSRLP-IIDMSEBBSA-N 2 0 352.479 -0.151 20 0 FBADRP [NH3+]C[C@]1(C(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CCCOC1 ZINC000638146792 483708479 /nfs/dbraw/zinc/70/84/79/483708479.db2.gz HHFBSSJWVGSRLP-RLFYNMQTSA-N 2 0 352.479 -0.151 20 0 FBADRP [NH3+]C[C@]1(C(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CCCOC1 ZINC000638146794 483708097 /nfs/dbraw/zinc/70/80/97/483708097.db2.gz HHFBSSJWVGSRLP-RVKKMQEKSA-N 2 0 352.479 -0.151 20 0 FBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C1 ZINC000638150367 483708878 /nfs/dbraw/zinc/70/88/78/483708878.db2.gz WMFDQTDBEAABGL-AFIMGQEJSA-N 2 0 352.479 -0.140 20 0 FBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C1 ZINC000638150368 483708599 /nfs/dbraw/zinc/70/85/99/483708599.db2.gz WMFDQTDBEAABGL-FSZRXZPDSA-N 2 0 352.479 -0.140 20 0 FBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C1 ZINC000638150370 483708950 /nfs/dbraw/zinc/70/89/50/483708950.db2.gz WMFDQTDBEAABGL-LLDVTBCESA-N 2 0 352.479 -0.140 20 0 FBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C1 ZINC000638150371 483708708 /nfs/dbraw/zinc/70/87/08/483708708.db2.gz WMFDQTDBEAABGL-XSWJXKHESA-N 2 0 352.479 -0.140 20 0 FBADRP CC(C)(C[NH+]1CCOCC1)C(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000638174882 661794685 /nfs/dbraw/zinc/79/46/85/661794685.db2.gz SZTRVGPODBAXKE-HNNXBMFYSA-N 2 0 352.479 -0.232 20 0 FBADRP C[NH+](C)CCn1cc(C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])cn1 ZINC000638211280 483731268 /nfs/dbraw/zinc/73/12/68/483731268.db2.gz TYRLTUXMIJCDHW-HNNXBMFYSA-N 2 0 350.467 -0.096 20 0 FBADRP C[NH+](C)CCn1cc(C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])cn1 ZINC000638211282 483731403 /nfs/dbraw/zinc/73/14/03/483731403.db2.gz TYRLTUXMIJCDHW-OAHLLOKOSA-N 2 0 350.467 -0.096 20 0 FBADRP O=C(CN1CC[NH2+]CC1)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000638230292 483734751 /nfs/dbraw/zinc/73/47/51/483734751.db2.gz CJJVUZBEVDDWCL-UHFFFAOYSA-N 2 0 365.522 -0.268 20 0 FBADRP CC[NH+](CC)CCN(C(=O)CN1CC[NH2+]CC1)[C@H]1CCS(=O)(=O)C1 ZINC000638270462 483744239 /nfs/dbraw/zinc/74/42/39/483744239.db2.gz GCBWEJBNLHRIOU-HNNXBMFYSA-N 2 0 360.524 -0.751 20 0 FBADRP CC[NH+](CC)CCN(C(=O)CN1CC[NH2+]CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000638270463 483744337 /nfs/dbraw/zinc/74/43/37/483744337.db2.gz GCBWEJBNLHRIOU-OAHLLOKOSA-N 2 0 360.524 -0.751 20 0 FBADRP CN1C(=O)CN(CC(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000638346950 483777308 /nfs/dbraw/zinc/77/73/08/483777308.db2.gz IODRJIYEYBKPES-UHFFFAOYSA-N 2 0 373.457 -0.010 20 0 FBADRP C[C@@H](C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)N1CCNCC1=O ZINC000638347890 483777850 /nfs/dbraw/zinc/77/78/50/483777850.db2.gz YVCDNYZSFFFKKB-INIZCTEOSA-N 2 0 373.501 -0.084 20 0 FBADRP C[C@H](C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)N1CCNCC1=O ZINC000638347898 483777975 /nfs/dbraw/zinc/77/79/75/483777975.db2.gz YVCDNYZSFFFKKB-MRXNPFEDSA-N 2 0 373.501 -0.084 20 0 FBADRP COCCOCC[N@H+](C)CCC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000638366646 483783591 /nfs/dbraw/zinc/78/35/91/483783591.db2.gz QFKFGAKGJBUBMC-JKSUJKDBSA-N 2 0 353.467 -0.342 20 0 FBADRP C[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)N1CCNCC1=O ZINC000638428234 483798910 /nfs/dbraw/zinc/79/89/10/483798910.db2.gz UNRRMNQLKNJCDE-GDBMZVCRSA-N 3 0 351.495 -0.566 20 0 FBADRP C[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)N1CCNCC1=O ZINC000638428235 483799035 /nfs/dbraw/zinc/79/90/35/483799035.db2.gz UNRRMNQLKNJCDE-GOEBONIOSA-N 3 0 351.495 -0.566 20 0 FBADRP C[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)N1CCNCC1=O ZINC000638428236 483798754 /nfs/dbraw/zinc/79/87/54/483798754.db2.gz UNRRMNQLKNJCDE-HOCLYGCPSA-N 3 0 351.495 -0.566 20 0 FBADRP C[C@H](C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)N1CCNCC1=O ZINC000638428237 483799129 /nfs/dbraw/zinc/79/91/29/483799129.db2.gz UNRRMNQLKNJCDE-ZBFHGGJFSA-N 3 0 351.495 -0.566 20 0 FBADRP C[C@]1(C(=O)N2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C[NH2+]CCO1 ZINC000638441053 483801823 /nfs/dbraw/zinc/80/18/23/483801823.db2.gz SMWVCJOHJXRWRB-KBXCAEBGSA-N 2 0 362.478 -0.096 20 0 FBADRP C[C@@]1(C(=O)N2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C[NH2+]CCO1 ZINC000638441054 483801514 /nfs/dbraw/zinc/80/15/14/483801514.db2.gz SMWVCJOHJXRWRB-KDOFPFPSSA-N 2 0 362.478 -0.096 20 0 FBADRP C[C@@]1(C(=O)N2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C[NH2+]CCO1 ZINC000638441055 483801597 /nfs/dbraw/zinc/80/15/97/483801597.db2.gz SMWVCJOHJXRWRB-KSSFIOAISA-N 2 0 362.478 -0.096 20 0 FBADRP C[C@]1(C(=O)N2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C[NH2+]CCO1 ZINC000638441056 483801683 /nfs/dbraw/zinc/80/16/83/483801683.db2.gz SMWVCJOHJXRWRB-RDTXWAMCSA-N 2 0 362.478 -0.096 20 0 FBADRP O=C(CN1CC[NH2+]CC1)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000638441652 483801519 /nfs/dbraw/zinc/80/15/19/483801519.db2.gz YNEHWLWAQIALDY-HNNXBMFYSA-N 2 0 361.494 -0.570 20 0 FBADRP O=C(CN1CC[NH2+]CC1)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000638441653 483801836 /nfs/dbraw/zinc/80/18/36/483801836.db2.gz YNEHWLWAQIALDY-OAHLLOKOSA-N 2 0 361.494 -0.570 20 0 FBADRP [NH3+]C1(C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)Cc2ccccc2C1 ZINC000638477204 483806044 /nfs/dbraw/zinc/80/60/44/483806044.db2.gz JZQGAXCXLLSWCF-UHFFFAOYSA-N 2 0 357.458 -0.348 20 0 FBADRP O=C([C@@H]1Cc2ccccc2C[NH2+]1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638477338 483805783 /nfs/dbraw/zinc/80/57/83/483805783.db2.gz OHBJLXLPYOPEIL-KRWDZBQOSA-N 2 0 357.458 -0.130 20 0 FBADRP O=C([C@H]1Cc2ccccc2C[NH2+]1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638477339 483805526 /nfs/dbraw/zinc/80/55/26/483805526.db2.gz OHBJLXLPYOPEIL-QGZVFWFLSA-N 2 0 357.458 -0.130 20 0 FBADRP COCC1(C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CC[NH2+]CC1 ZINC000638479905 483806556 /nfs/dbraw/zinc/80/65/56/483806556.db2.gz HONYQBNHQPOLHG-UHFFFAOYSA-N 2 0 353.467 -0.828 20 0 FBADRP [NH3+]C1CCC(OCC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CC1 ZINC000638479909 483806562 /nfs/dbraw/zinc/80/65/62/483806562.db2.gz HUEAPXJRTGWYFL-UHFFFAOYSA-N 2 0 353.467 -0.558 20 0 FBADRP CCO[C@H]1C[C@@]([NH3+])(C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C1(C)C ZINC000638480296 483806147 /nfs/dbraw/zinc/80/61/47/483806147.db2.gz KPZZZSIYIMQPQO-KBXCAEBGSA-N 2 0 367.494 -0.312 20 0 FBADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C1(C)C ZINC000638480297 483806631 /nfs/dbraw/zinc/80/66/31/483806631.db2.gz KPZZZSIYIMQPQO-KDOFPFPSSA-N 2 0 367.494 -0.312 20 0 FBADRP CCO[C@H]1C[C@]([NH3+])(C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C1(C)C ZINC000638480298 483806438 /nfs/dbraw/zinc/80/64/38/483806438.db2.gz KPZZZSIYIMQPQO-KSSFIOAISA-N 2 0 367.494 -0.312 20 0 FBADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C1(C)C ZINC000638480299 483806424 /nfs/dbraw/zinc/80/64/24/483806424.db2.gz KPZZZSIYIMQPQO-RDTXWAMCSA-N 2 0 367.494 -0.312 20 0 FBADRP O=C(c1cc([C@@H]2CC[NH2+]C2)n[nH]1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638480340 483806250 /nfs/dbraw/zinc/80/62/50/483806250.db2.gz MHXOKKGJOSLUAH-CYBMUJFWSA-N 2 0 361.450 -0.730 20 0 FBADRP O=C(c1cc([C@H]2CC[NH2+]C2)n[nH]1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638480341 483806265 /nfs/dbraw/zinc/80/62/65/483806265.db2.gz MHXOKKGJOSLUAH-ZDUSSCGKSA-N 2 0 361.450 -0.730 20 0 FBADRP [NH3+]CCc1nc(C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)cs1 ZINC000638480396 483806482 /nfs/dbraw/zinc/80/64/82/483806482.db2.gz NUPBTFIMCBRCNV-UHFFFAOYSA-N 2 0 352.464 -0.573 20 0 FBADRP O=C(N1CC[NH2+]CC1)N1CCN(C(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000638483081 483807482 /nfs/dbraw/zinc/80/74/82/483807482.db2.gz BLFSTPOSGVFZCX-AWEZNQCLSA-N 2 0 363.384 -0.302 20 0 FBADRP O=C(N1CC[NH2+]CC1)N1CCN(C(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000638483084 483807625 /nfs/dbraw/zinc/80/76/25/483807625.db2.gz BLFSTPOSGVFZCX-CQSZACIVSA-N 2 0 363.384 -0.302 20 0 FBADRP COc1cccc([C@H]([NH3+])C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)c1 ZINC000638483093 483807404 /nfs/dbraw/zinc/80/74/04/483807404.db2.gz BRKDOVCELQCTCQ-INIZCTEOSA-N 2 0 361.446 -0.136 20 0 FBADRP COc1cccc([C@@H]([NH3+])C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)c1 ZINC000638483094 483807233 /nfs/dbraw/zinc/80/72/33/483807233.db2.gz BRKDOVCELQCTCQ-MRXNPFEDSA-N 2 0 361.446 -0.136 20 0 FBADRP COC[C@]1(C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CCCC[NH2+]1 ZINC000638484676 483807194 /nfs/dbraw/zinc/80/71/94/483807194.db2.gz GCTWSWUQUBKQJC-KRWDZBQOSA-N 2 0 353.467 -0.686 20 0 FBADRP COC[C@@]1(C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CCCC[NH2+]1 ZINC000638484677 483807502 /nfs/dbraw/zinc/80/75/02/483807502.db2.gz GCTWSWUQUBKQJC-QGZVFWFLSA-N 2 0 353.467 -0.686 20 0 FBADRP O=C(c1c[nH]nc1[C@@H]1CC[NH2+]C1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638485669 483807496 /nfs/dbraw/zinc/80/74/96/483807496.db2.gz METGERKXCGMEQF-CYBMUJFWSA-N 2 0 361.450 -0.730 20 0 FBADRP O=C(c1c[nH]nc1[C@H]1CC[NH2+]C1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638485670 483807475 /nfs/dbraw/zinc/80/74/75/483807475.db2.gz METGERKXCGMEQF-ZDUSSCGKSA-N 2 0 361.450 -0.730 20 0 FBADRP C[NH+](C)CCn1cc(C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)cn1 ZINC000638486689 483807971 /nfs/dbraw/zinc/80/79/71/483807971.db2.gz UNWYFFKPHDWDFT-UHFFFAOYSA-N 2 0 363.466 -0.772 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCC2([NH3+])CCOCC2)CC1=O ZINC000638539958 483820588 /nfs/dbraw/zinc/82/05/88/483820588.db2.gz WORLJXMXBHYAHI-CABCVRRESA-N 2 0 352.479 -0.057 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCC2([NH3+])CCOCC2)CC1=O ZINC000638539964 483820543 /nfs/dbraw/zinc/82/05/43/483820543.db2.gz WORLJXMXBHYAHI-GJZGRUSLSA-N 2 0 352.479 -0.057 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC2([NH3+])CCOCC2)CC1=O ZINC000638539965 483820578 /nfs/dbraw/zinc/82/05/78/483820578.db2.gz WORLJXMXBHYAHI-HUUCEWRRSA-N 2 0 352.479 -0.057 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC2([NH3+])CCOCC2)CC1=O ZINC000638539967 483820254 /nfs/dbraw/zinc/82/02/54/483820254.db2.gz WORLJXMXBHYAHI-LSDHHAIUSA-N 2 0 352.479 -0.057 20 0 FBADRP CC(C)(O)C[NH+]1CCC([NH2+]CCN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000638560511 483823688 /nfs/dbraw/zinc/82/36/88/483823688.db2.gz NCYBYUOTGYZXEG-UHFFFAOYSA-N 2 0 362.540 -0.612 20 0 FBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C[C@@]1(C(=O)N[C@@H]2CC[NH2+][C@H]2CC)CC[NH2+]C1 ZINC000638572593 483824577 /nfs/dbraw/zinc/82/45/77/483824577.db2.gz QCJCGFCHKVUMEK-DBDOFBCQSA-N 3 0 365.522 -0.130 20 0 FBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C[C@]1(C(=O)N[C@@H]2CC[NH2+][C@H]2CC)CC[NH2+]C1 ZINC000638572594 483824408 /nfs/dbraw/zinc/82/44/08/483824408.db2.gz QCJCGFCHKVUMEK-FXZJEQNSSA-N 3 0 365.522 -0.130 20 0 FBADRP NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCN(CCN3CCOCC3)C2)s1 ZINC000638599822 483827444 /nfs/dbraw/zinc/82/74/44/483827444.db2.gz STDIGACHHYYLIZ-CYBMUJFWSA-N 2 0 374.532 -0.108 20 0 FBADRP NS(=O)(=O)c1ccc(C[NH2+][C@H]2CCN(CCN3CCOCC3)C2)s1 ZINC000638599823 483827194 /nfs/dbraw/zinc/82/71/94/483827194.db2.gz STDIGACHHYYLIZ-ZDUSSCGKSA-N 2 0 374.532 -0.108 20 0 FBADRP CC1([NH+]2CCOCC2)CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000638602474 483827879 /nfs/dbraw/zinc/82/78/79/483827879.db2.gz MNUPRUAMCXAAEJ-HNNXBMFYSA-N 2 0 352.479 -0.042 20 0 FBADRP CC1([NH+]2CCOCC2)CCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000638602477 483827759 /nfs/dbraw/zinc/82/77/59/483827759.db2.gz MNUPRUAMCXAAEJ-OAHLLOKOSA-N 2 0 352.479 -0.042 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NC2(C[NH3+])CCOCC2)CC1=O ZINC000638634015 483832295 /nfs/dbraw/zinc/83/22/95/483832295.db2.gz LJMNFWYCOYTALT-CABCVRRESA-N 2 0 352.479 -0.057 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NC2(C[NH3+])CCOCC2)CC1=O ZINC000638634021 483832358 /nfs/dbraw/zinc/83/23/58/483832358.db2.gz LJMNFWYCOYTALT-GJZGRUSLSA-N 2 0 352.479 -0.057 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC2(C[NH3+])CCOCC2)CC1=O ZINC000638634022 483832006 /nfs/dbraw/zinc/83/20/06/483832006.db2.gz LJMNFWYCOYTALT-HUUCEWRRSA-N 2 0 352.479 -0.057 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC2(C[NH3+])CCOCC2)CC1=O ZINC000638634023 483832076 /nfs/dbraw/zinc/83/20/76/483832076.db2.gz LJMNFWYCOYTALT-LSDHHAIUSA-N 2 0 352.479 -0.057 20 0 FBADRP C[C@@H]1CC[C@H](NC(=O)C[C@]2(C(=O)N[C@@H]3CC[C@H](C)[NH2+]C3)CC[NH2+]C2)C[NH2+]1 ZINC000638644157 483839558 /nfs/dbraw/zinc/83/95/58/483839558.db2.gz OKWXKHONJFNDDR-LAIHZFQQSA-N 3 0 365.522 -0.130 20 0 FBADRP C[C@@H]1CC[C@H](NC(=O)C[C@]2(C(=O)N[C@H]3CC[C@@H](C)[NH2+]C3)CC[NH2+]C2)C[NH2+]1 ZINC000638644159 483839476 /nfs/dbraw/zinc/83/94/76/483839476.db2.gz OKWXKHONJFNDDR-MZZPOWALSA-N 3 0 365.522 -0.130 20 0 FBADRP C[C@@H]1CC[C@@H](NC(=O)[C@@]2(CC(=O)N[C@H]3CC[C@@H](C)[NH2+]C3)CC[NH2+]C2)C[NH2+]1 ZINC000638644166 483838696 /nfs/dbraw/zinc/83/86/96/483838696.db2.gz OKWXKHONJFNDDR-RUEZSYAVSA-N 3 0 365.522 -0.130 20 0 FBADRP C[C@@H]1CC[C@H](NC(=O)C[C@]2(C(=O)N[C@H]3CC[C@H](C)[NH2+]C3)CC[NH2+]C2)C[NH2+]1 ZINC000638644169 483839076 /nfs/dbraw/zinc/83/90/76/483839076.db2.gz OKWXKHONJFNDDR-XZLOLGPPSA-N 3 0 365.522 -0.130 20 0 FBADRP CCC1([NH+]2CCOCC2)CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000638725575 483871017 /nfs/dbraw/zinc/87/10/17/483871017.db2.gz BSBROPMNLQUJRD-HNNXBMFYSA-N 2 0 352.479 -0.042 20 0 FBADRP CCC1([NH+]2CCOCC2)CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000638725576 483870956 /nfs/dbraw/zinc/87/09/56/483870956.db2.gz BSBROPMNLQUJRD-OAHLLOKOSA-N 2 0 352.479 -0.042 20 0 FBADRP C[NH+]1CCC[C@H]1CNC(=O)[C@]1(CC(=O)NC[C@@H]2CCC[N@H+]2C)CC[NH2+]C1 ZINC000638730600 483872359 /nfs/dbraw/zinc/87/23/59/483872359.db2.gz ZGIFWOAKVWGATJ-BXWFABGCSA-N 3 0 365.522 -0.223 20 0 FBADRP C[NH+]1CCC[C@H]1CNC(=O)[C@@]1(CC(=O)NC[C@@H]2CCC[N@H+]2C)CC[NH2+]C1 ZINC000638730601 483872393 /nfs/dbraw/zinc/87/23/93/483872393.db2.gz ZGIFWOAKVWGATJ-TXPKVOOTSA-N 3 0 365.522 -0.223 20 0 FBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638784865 483880428 /nfs/dbraw/zinc/88/04/28/483880428.db2.gz XDVSCWBMSBUVRQ-CVEARBPZSA-N 2 0 352.479 -0.138 20 0 FBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638784877 483880817 /nfs/dbraw/zinc/88/08/17/483880817.db2.gz XDVSCWBMSBUVRQ-HOTGVXAUSA-N 2 0 352.479 -0.138 20 0 FBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638784878 483880528 /nfs/dbraw/zinc/88/05/28/483880528.db2.gz XDVSCWBMSBUVRQ-HZPDHXFCSA-N 2 0 352.479 -0.138 20 0 FBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638784880 483880558 /nfs/dbraw/zinc/88/05/58/483880558.db2.gz XDVSCWBMSBUVRQ-JKSUJKDBSA-N 2 0 352.479 -0.138 20 0 FBADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)c3cc([C@H]4CC[NH2+]C4)n[nH]3)CC2)C1=O ZINC000638855351 483882390 /nfs/dbraw/zinc/88/23/90/483882390.db2.gz BPPQTDCJTGOEEH-BLLLJJGKSA-N 2 0 360.462 -0.089 20 0 FBADRP CN1CC[C@H]([NH+]2CCC(NC(=O)c3cc([C@H]4CC[NH2+]C4)n[nH]3)CC2)C1=O ZINC000638855352 483882085 /nfs/dbraw/zinc/88/20/85/483882085.db2.gz BPPQTDCJTGOEEH-LRDDRELGSA-N 2 0 360.462 -0.089 20 0 FBADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)c3cc([C@@H]4CC[NH2+]C4)n[nH]3)CC2)C1=O ZINC000638855353 483882093 /nfs/dbraw/zinc/88/20/93/483882093.db2.gz BPPQTDCJTGOEEH-MLGOLLRUSA-N 2 0 360.462 -0.089 20 0 FBADRP CN1CC[C@H]([NH+]2CCC(NC(=O)c3cc([C@@H]4CC[NH2+]C4)n[nH]3)CC2)C1=O ZINC000638855354 483882320 /nfs/dbraw/zinc/88/23/20/483882320.db2.gz BPPQTDCJTGOEEH-WBMJQRKESA-N 2 0 360.462 -0.089 20 0 FBADRP COC[C@@]1(C(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)CCCC[NH2+]1 ZINC000638856638 483882263 /nfs/dbraw/zinc/88/22/63/483882263.db2.gz QCGUUTZROFPLJW-CRAIPNDOSA-N 2 0 352.479 -0.044 20 0 FBADRP COC[C@@]1(C(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)CCCC[NH2+]1 ZINC000638856639 483882343 /nfs/dbraw/zinc/88/23/43/483882343.db2.gz QCGUUTZROFPLJW-MAUKXSAKSA-N 2 0 352.479 -0.044 20 0 FBADRP COC[C@]1(C(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)CCCC[NH2+]1 ZINC000638856640 483882328 /nfs/dbraw/zinc/88/23/28/483882328.db2.gz QCGUUTZROFPLJW-QAPCUYQASA-N 2 0 352.479 -0.044 20 0 FBADRP COC[C@]1(C(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)CCCC[NH2+]1 ZINC000638856641 483882438 /nfs/dbraw/zinc/88/24/38/483882438.db2.gz QCGUUTZROFPLJW-YJBOKZPZSA-N 2 0 352.479 -0.044 20 0 FBADRP CC(C)(O)C[NH+]1CCC([NH2+][C@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000638872450 483882212 /nfs/dbraw/zinc/88/22/12/483882212.db2.gz UGELYNOJKVORIC-KRWDZBQOSA-N 2 0 368.522 -0.256 20 0 FBADRP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000638872451 483882295 /nfs/dbraw/zinc/88/22/95/483882295.db2.gz UGELYNOJKVORIC-QGZVFWFLSA-N 2 0 368.522 -0.256 20 0 FBADRP O=C(C[C@]1(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]C1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638924555 483882804 /nfs/dbraw/zinc/88/28/04/483882804.db2.gz AVCYWAKLHAKJLT-NTODXPRQSA-N 3 0 361.490 -0.718 20 0 FBADRP O=C(C[C@@]1(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]C1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638924556 483882616 /nfs/dbraw/zinc/88/26/16/483882616.db2.gz AVCYWAKLHAKJLT-WPECMILSSA-N 3 0 361.490 -0.718 20 0 FBADRP CN1CCS(=O)(=O)C[C@@H]1CC(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638985378 483965390 /nfs/dbraw/zinc/96/53/90/483965390.db2.gz FXYWTQVPLPOAIE-AWEZNQCLSA-N 2 0 367.475 -0.451 20 0 FBADRP CN1CCS(=O)(=O)C[C@H]1CC(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638985379 483965149 /nfs/dbraw/zinc/96/51/49/483965149.db2.gz FXYWTQVPLPOAIE-CQSZACIVSA-N 2 0 367.475 -0.451 20 0 FBADRP O=C(Cn1nc2n(c1=O)CCCC2)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638985873 483964443 /nfs/dbraw/zinc/96/44/43/483964443.db2.gz POIHCSYCGSJPDM-UHFFFAOYSA-N 2 0 357.418 -0.176 20 0 FBADRP C[NH+](C)CCN1C[C@@H](C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)CC1=O ZINC000638986578 483968931 /nfs/dbraw/zinc/96/89/31/483968931.db2.gz UMJSFRTWUSZDQX-AWEZNQCLSA-N 3 0 360.462 -0.160 20 0 FBADRP C[NH+](C)CCN1C[C@H](C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)CC1=O ZINC000638986579 483969459 /nfs/dbraw/zinc/96/94/59/483969459.db2.gz UMJSFRTWUSZDQX-CQSZACIVSA-N 3 0 360.462 -0.160 20 0 FBADRP CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638986831 483970213 /nfs/dbraw/zinc/97/02/13/483970213.db2.gz DQDUPJOMSIMVFH-CYBMUJFWSA-N 2 0 353.448 -0.146 20 0 FBADRP CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638986832 483969351 /nfs/dbraw/zinc/96/93/51/483969351.db2.gz DQDUPJOMSIMVFH-ZDUSSCGKSA-N 2 0 353.448 -0.146 20 0 FBADRP CCN1CCN(CC(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)C(=O)C1=O ZINC000638987806 483971027 /nfs/dbraw/zinc/97/10/27/483971027.db2.gz JWXSTVOTRKCHNS-UHFFFAOYSA-N 2 0 360.418 -0.880 20 0 FBADRP O=C(CCN1CCCS1(=O)=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638987828 483970894 /nfs/dbraw/zinc/97/08/94/483970894.db2.gz KYIQMELTHIAAMO-UHFFFAOYSA-N 2 0 353.448 -0.145 20 0 FBADRP O=C(Cn1nc2ccccn2c1=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638988404 483973291 /nfs/dbraw/zinc/97/32/91/483973291.db2.gz YAIAGGGKMUOQSV-UHFFFAOYSA-N 2 0 353.386 -0.061 20 0 FBADRP C[NH+](C)CC1CC[NH+](CC(=O)NC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000639454268 484444726 /nfs/dbraw/zinc/44/47/26/484444726.db2.gz WVFFAILRBUNBPD-UHFFFAOYSA-N 2 0 360.524 -0.200 20 0 FBADRP Cc1nn(CC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c(=O)o1 ZINC000639628509 484512960 /nfs/dbraw/zinc/51/29/60/484512960.db2.gz OHGFYFHYRAOURY-UHFFFAOYSA-N 2 0 360.418 -0.132 20 0 FBADRP Cn1c2ncn(CC[N@@H+]3CCC4(C3)CC[NH+](C)CC4)c2c(=O)n(C)c1=O ZINC000639757105 484533686 /nfs/dbraw/zinc/53/36/86/484533686.db2.gz FLTSSDVSIOLHKF-UHFFFAOYSA-N 2 0 360.462 -0.149 20 0 FBADRP CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)CC1 ZINC000639757272 484534613 /nfs/dbraw/zinc/53/46/13/484534613.db2.gz DPXRLSKTOSUVLR-UHFFFAOYSA-N 2 0 365.522 -0.364 20 0 FBADRP C[NH+]1CCC2(CC[N@H+](CC(=O)NC3CCN(S(C)(=O)=O)CC3)C2)CC1 ZINC000639758359 484539562 /nfs/dbraw/zinc/53/95/62/484539562.db2.gz RZPIATGFZHMOTL-UHFFFAOYSA-N 2 0 372.535 -0.056 20 0 FBADRP CN(CCCNC(=O)C[N@@H+]1CCC2(C1)CC[NH+](C)CC2)S(C)(=O)=O ZINC000639758976 484538634 /nfs/dbraw/zinc/53/86/34/484538634.db2.gz ZBCCVMHVYGLMSJ-UHFFFAOYSA-N 2 0 360.524 -0.198 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCC[C@](O)(C[NH+](C)C)C2)C1 ZINC000639765589 484547935 /nfs/dbraw/zinc/54/79/35/484547935.db2.gz KLNAFBSCBQOLTQ-HKUYNNGSSA-N 2 0 370.538 -0.152 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCC[C@@](O)(C[NH+](C)C)C2)C1 ZINC000639765591 484547877 /nfs/dbraw/zinc/54/78/77/484547877.db2.gz KLNAFBSCBQOLTQ-IEBWSBKVSA-N 2 0 370.538 -0.152 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCC[C@](O)(C[NH+](C)C)C2)C1 ZINC000639765592 484547271 /nfs/dbraw/zinc/54/72/71/484547271.db2.gz KLNAFBSCBQOLTQ-MJGOQNOKSA-N 2 0 370.538 -0.152 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCC[C@@](O)(C[NH+](C)C)C2)C1 ZINC000639765593 484547573 /nfs/dbraw/zinc/54/75/73/484547573.db2.gz KLNAFBSCBQOLTQ-PKOBYXMFSA-N 2 0 370.538 -0.152 20 0 FBADRP NC(=O)[C@H]1C[N@H+](CCCN2CCN(c3ccccc3)CC2)C[C@H]1C(N)=O ZINC000639845822 483904950 /nfs/dbraw/zinc/90/49/50/483904950.db2.gz MPJKNSHDSITZPE-CALCHBBNSA-N 2 0 359.474 -0.283 20 0 FBADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2C[C@]3(C)C(=O)NC(=O)[C@]3(C)C2)CC1 ZINC000639955082 484578572 /nfs/dbraw/zinc/57/85/72/484578572.db2.gz XMKDDMKLQULJCK-HDICACEKSA-N 2 0 350.463 -0.040 20 0 FBADRP CC(C)[NH+]1CCC(NC(=O)C[NH+]2C[C@]3(C)C(=O)NC(=O)[C@@]3(C)C2)CC1 ZINC000639955083 484579543 /nfs/dbraw/zinc/57/95/43/484579543.db2.gz XMKDDMKLQULJCK-QZTJIDSGSA-N 2 0 350.463 -0.040 20 0 FBADRP CC(C)[NH+]1CCC(NC(=O)C[NH+]2C[C@@]3(C)C(=O)NC(=O)[C@]3(C)C2)CC1 ZINC000639955084 484579862 /nfs/dbraw/zinc/57/98/62/484579862.db2.gz XMKDDMKLQULJCK-ROUUACIJSA-N 2 0 350.463 -0.040 20 0 FBADRP CO[C@H]1C[N@H+](CCOCC[NH+]2C[C@@H](OC)C[C@]2(C)CO)[C@](C)(CO)C1 ZINC000639999447 484585628 /nfs/dbraw/zinc/58/56/28/484585628.db2.gz JQBORKPDRZFXDG-FZDBZEDMSA-N 2 0 360.495 -0.054 20 0 FBADRP CO[C@H]1C[N@H+](CCOCC[NH+]2C[C@@H](OC)C[C@@]2(C)CO)[C@](C)(CO)C1 ZINC000639999448 484586573 /nfs/dbraw/zinc/58/65/73/484586573.db2.gz JQBORKPDRZFXDG-MHORFTMASA-N 2 0 360.495 -0.054 20 0 FBADRP CO[C@H]1C[N@H+](CCOCC[NH+]2C[C@@H](OC)C[C@@]2(C)CO)[C@@](C)(CO)C1 ZINC000639999449 484586094 /nfs/dbraw/zinc/58/60/94/484586094.db2.gz JQBORKPDRZFXDG-USTZCAOPSA-N 2 0 360.495 -0.054 20 0 FBADRP CO[C@H]1C[N@H+](CCOCC[NH+]2C[C@@H](OC)C[C@]2(C)CO)[C@@](C)(CO)C1 ZINC000639999450 484587738 /nfs/dbraw/zinc/58/77/38/484587738.db2.gz JQBORKPDRZFXDG-XMTFNYHQSA-N 2 0 360.495 -0.054 20 0 FBADRP C[NH+](C[C@H](O)CN1C[C@@H]2C[C@H]1CN2C[C@H](O)C[N@@H+](C)C1CC1)C1CC1 ZINC000640050046 484600619 /nfs/dbraw/zinc/60/06/19/484600619.db2.gz VMGBRODOTPOVAR-CADBVGFASA-N 2 0 352.523 -0.345 20 0 FBADRP C[NH+](C[C@@H](O)CN1C[C@@H]2C[C@H]1CN2C[C@H](O)C[N@@H+](C)C1CC1)C1CC1 ZINC000640050047 484600092 /nfs/dbraw/zinc/60/00/92/484600092.db2.gz VMGBRODOTPOVAR-INDMIFKZSA-N 2 0 352.523 -0.345 20 0 FBADRP C[NH+](C[C@H](O)CN1C[C@@H]2C[C@H]1CN2C[C@@H](O)C[N@@H+](C)C1CC1)C1CC1 ZINC000640050048 484601096 /nfs/dbraw/zinc/60/10/96/484601096.db2.gz VMGBRODOTPOVAR-VJANTYMQSA-N 2 0 352.523 -0.345 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Cn2cc(C[C@@H]3CC[NH2+]C3)nn2)C1 ZINC000640876815 484670563 /nfs/dbraw/zinc/67/05/63/484670563.db2.gz QRFXYYUMOMXXGJ-DOTOQJQBSA-N 2 0 364.494 -0.097 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Cn2cc(C[C@H]3CC[NH2+]C3)nn2)C1 ZINC000640876816 484670578 /nfs/dbraw/zinc/67/05/78/484670578.db2.gz QRFXYYUMOMXXGJ-NVXWUHKLSA-N 2 0 364.494 -0.097 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Cn2cc(C[C@@H]3CC[NH2+]C3)nn2)C1 ZINC000640876817 484670493 /nfs/dbraw/zinc/67/04/93/484670493.db2.gz QRFXYYUMOMXXGJ-RDJZCZTQSA-N 2 0 364.494 -0.097 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Cn2cc(C[C@H]3CC[NH2+]C3)nn2)C1 ZINC000640876818 484671585 /nfs/dbraw/zinc/67/15/85/484671585.db2.gz QRFXYYUMOMXXGJ-WBVHZDCISA-N 2 0 364.494 -0.097 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Cn2cc(CC[NH+](C)C)nn2)C1 ZINC000640878096 484670765 /nfs/dbraw/zinc/67/07/65/484670765.db2.gz ODTGEBOZXARLIS-INIZCTEOSA-N 2 0 352.483 -0.145 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Cn2cc(CC[NH+](C)C)nn2)C1 ZINC000640878097 484670940 /nfs/dbraw/zinc/67/09/40/484670940.db2.gz ODTGEBOZXARLIS-MRXNPFEDSA-N 2 0 352.483 -0.145 20 0 FBADRP C[NH+]1CCN(Cc2cn(CC(=O)NC3CC[NH+](C4CC4)CC3)nn2)CC1 ZINC000641002260 484740422 /nfs/dbraw/zinc/74/04/22/484740422.db2.gz CQOHFXQIFVZXFB-UHFFFAOYSA-N 2 0 361.494 -0.232 20 0 FBADRP CC(C)[NH+]1CCC(NC(=O)Cn2cc(CCN3CC[NH2+]CC3)nn2)CC1 ZINC000641046457 484760423 /nfs/dbraw/zinc/76/04/23/484760423.db2.gz AJYJPUBANYXLRE-UHFFFAOYSA-N 2 0 363.510 -0.285 20 0 FBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)CCn2ccnc2)CC1 ZINC000641381310 484879985 /nfs/dbraw/zinc/87/99/85/484879985.db2.gz INKOIXFXZMONDH-AWEZNQCLSA-N 2 0 355.464 -0.549 20 0 FBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)CCn2ccnc2)CC1 ZINC000641381314 484880359 /nfs/dbraw/zinc/88/03/59/484880359.db2.gz INKOIXFXZMONDH-CQSZACIVSA-N 2 0 355.464 -0.549 20 0 FBADRP COCC(COC)S(=O)(=O)N(CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000641434359 484898647 /nfs/dbraw/zinc/89/86/47/484898647.db2.gz TYKXKVAYCTYMAJ-UHFFFAOYSA-N 2 0 351.513 -0.065 20 0 FBADRP COC[C@@H](CS(=O)(=O)N(CC[NH+](C)C)C1CC[NH+](C)CC1)OC ZINC000641434924 484901971 /nfs/dbraw/zinc/90/19/71/484901971.db2.gz ZJSGYZBLXONCES-HNNXBMFYSA-N 2 0 351.513 -0.065 20 0 FBADRP COC[C@H](CS(=O)(=O)N(CC[NH+](C)C)C1CC[NH+](C)CC1)OC ZINC000641434925 484901937 /nfs/dbraw/zinc/90/19/37/484901937.db2.gz ZJSGYZBLXONCES-OAHLLOKOSA-N 2 0 351.513 -0.065 20 0 FBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641669660 484986125 /nfs/dbraw/zinc/98/61/25/484986125.db2.gz JGNWDZBSUADXKG-MSOLQXFVSA-N 2 0 368.522 -0.133 20 0 FBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641669669 484986189 /nfs/dbraw/zinc/98/61/89/484986189.db2.gz JGNWDZBSUADXKG-QZTJIDSGSA-N 2 0 368.522 -0.133 20 0 FBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641669671 484985536 /nfs/dbraw/zinc/98/55/36/484985536.db2.gz JGNWDZBSUADXKG-ROUUACIJSA-N 2 0 368.522 -0.133 20 0 FBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641669674 484985957 /nfs/dbraw/zinc/98/59/57/484985957.db2.gz JGNWDZBSUADXKG-ZWKOTPCHSA-N 2 0 368.522 -0.133 20 0 FBADRP O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@@H]1C[NH+]2CCN1CCC2 ZINC000641671924 484986837 /nfs/dbraw/zinc/98/68/37/484986837.db2.gz YOIBOVUBKPXKCU-MSOLQXFVSA-N 2 0 365.522 -0.711 20 0 FBADRP O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@H]1C[NH+]2CCN1CCC2 ZINC000641671925 484987634 /nfs/dbraw/zinc/98/76/34/484987634.db2.gz YOIBOVUBKPXKCU-QZTJIDSGSA-N 2 0 365.522 -0.711 20 0 FBADRP O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@@H]1C[NH+]2CCN1CCC2 ZINC000641671926 484987268 /nfs/dbraw/zinc/98/72/68/484987268.db2.gz YOIBOVUBKPXKCU-ROUUACIJSA-N 2 0 365.522 -0.711 20 0 FBADRP O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@H]1C[NH+]2CCN1CCC2 ZINC000641671927 484987073 /nfs/dbraw/zinc/98/70/73/484987073.db2.gz YOIBOVUBKPXKCU-ZWKOTPCHSA-N 2 0 365.522 -0.711 20 0 FBADRP O=C(NCCn1ccnc1)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641742768 485004467 /nfs/dbraw/zinc/00/44/67/485004467.db2.gz PROJKMYPQIFBNC-INIZCTEOSA-N 2 0 350.467 -0.021 20 0 FBADRP O=C(NCCn1ccnc1)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641742769 485004631 /nfs/dbraw/zinc/00/46/31/485004631.db2.gz PROJKMYPQIFBNC-MRXNPFEDSA-N 2 0 350.467 -0.021 20 0 FBADRP CC(C)(C)NC(=O)CN1CCN(C(=O)CN[C@H]2C[C@H]([NH3+])C2(C)C)CC1 ZINC000641802812 485021737 /nfs/dbraw/zinc/02/17/37/485021737.db2.gz PILZYJAMSHQWCB-KBPBESRZSA-N 2 0 353.511 -0.239 20 0 FBADRP CC(C)(C)NC(=O)CN1CCN(C(=O)CN[C@H]2C[C@@H]([NH3+])C2(C)C)CC1 ZINC000641802813 485021850 /nfs/dbraw/zinc/02/18/50/485021850.db2.gz PILZYJAMSHQWCB-KGLIPLIRSA-N 2 0 353.511 -0.239 20 0 FBADRP CC(C)(C)NC(=O)CN1CCN(C(=O)CN[C@@H]2C[C@H]([NH3+])C2(C)C)CC1 ZINC000641802814 485021708 /nfs/dbraw/zinc/02/17/08/485021708.db2.gz PILZYJAMSHQWCB-UONOGXRCSA-N 2 0 353.511 -0.239 20 0 FBADRP CC(C)(C)NC(=O)CN1CCN(C(=O)CN[C@@H]2C[C@@H]([NH3+])C2(C)C)CC1 ZINC000641802815 485022015 /nfs/dbraw/zinc/02/20/15/485022015.db2.gz PILZYJAMSHQWCB-ZIAGYGMSSA-N 2 0 353.511 -0.239 20 0 FBADRP [NH3+]C[C@@H](NC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)C(F)(F)F ZINC000641819159 485030635 /nfs/dbraw/zinc/03/06/35/485030635.db2.gz NDSHUABMKBXGJY-CHWSQXEVSA-N 2 0 367.416 -0.028 20 0 FBADRP [NH3+]C[C@H](NC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)C(F)(F)F ZINC000641819160 485029776 /nfs/dbraw/zinc/02/97/76/485029776.db2.gz NDSHUABMKBXGJY-OLZOCXBDSA-N 2 0 367.416 -0.028 20 0 FBADRP [NH3+]C[C@@H](NC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)C(F)(F)F ZINC000641819161 485029819 /nfs/dbraw/zinc/02/98/19/485029819.db2.gz NDSHUABMKBXGJY-QWHCGFSZSA-N 2 0 367.416 -0.028 20 0 FBADRP [NH3+]C[C@H](NC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)C(F)(F)F ZINC000641819162 485030600 /nfs/dbraw/zinc/03/06/00/485030600.db2.gz NDSHUABMKBXGJY-STQMWFEESA-N 2 0 367.416 -0.028 20 0 FBADRP CN(CCCC[NH+]1CCCCC1)C(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000641824050 485034001 /nfs/dbraw/zinc/03/40/01/485034001.db2.gz DQTLXEYNFVFCEB-INIZCTEOSA-N 2 0 353.511 -0.188 20 0 FBADRP CN(CCCC[NH+]1CCCCC1)C(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000641824051 485033720 /nfs/dbraw/zinc/03/37/20/485033720.db2.gz DQTLXEYNFVFCEB-MRXNPFEDSA-N 2 0 353.511 -0.188 20 0 FBADRP C[NH+](C)CCOCCNC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641825189 485033067 /nfs/dbraw/zinc/03/30/67/485033067.db2.gz RFGKRWHTDCENMS-KRWDZBQOSA-N 2 0 371.526 -0.340 20 0 FBADRP C[NH+](C)CCOCCNC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641825190 485032623 /nfs/dbraw/zinc/03/26/23/485032623.db2.gz RFGKRWHTDCENMS-QGZVFWFLSA-N 2 0 371.526 -0.340 20 0 FBADRP CN(CC1C[NH+](C)C1)C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641840976 485044156 /nfs/dbraw/zinc/04/41/56/485044156.db2.gz IESKAAOQOQQPIE-KRWDZBQOSA-N 2 0 353.511 -0.014 20 0 FBADRP CN(CC1C[NH+](C)C1)C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641840977 485044236 /nfs/dbraw/zinc/04/42/36/485044236.db2.gz IESKAAOQOQQPIE-QGZVFWFLSA-N 2 0 353.511 -0.014 20 0 FBADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000641984202 485136163 /nfs/dbraw/zinc/13/61/63/485136163.db2.gz MGXYGWGVMQIMGC-CYBMUJFWSA-N 2 0 359.421 -0.067 20 0 FBADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)N[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000641984203 485136312 /nfs/dbraw/zinc/13/63/12/485136312.db2.gz MGXYGWGVMQIMGC-ZDUSSCGKSA-N 2 0 359.421 -0.067 20 0 FBADRP COc1ccc([C@H](CNC(=O)C(=O)NC[C@H](C)[NH3+])[NH+](C)C)cc1OC ZINC000642079090 485178940 /nfs/dbraw/zinc/17/89/40/485178940.db2.gz LLBLMLXUXXZHKF-AAEUAGOBSA-N 2 0 352.435 -0.114 20 0 FBADRP COc1ccc([C@@H](CNC(=O)C(=O)NC[C@@H](C)[NH3+])[NH+](C)C)cc1OC ZINC000642079091 485179468 /nfs/dbraw/zinc/17/94/68/485179468.db2.gz LLBLMLXUXXZHKF-DGCLKSJQSA-N 2 0 352.435 -0.114 20 0 FBADRP COc1ccc([C@@H](CNC(=O)C(=O)NC[C@H](C)[NH3+])[NH+](C)C)cc1OC ZINC000642079092 485179222 /nfs/dbraw/zinc/17/92/22/485179222.db2.gz LLBLMLXUXXZHKF-WCQYABFASA-N 2 0 352.435 -0.114 20 0 FBADRP COc1ccc([C@H](CNC(=O)C(=O)NC[C@@H](C)[NH3+])[NH+](C)C)cc1OC ZINC000642079093 485178737 /nfs/dbraw/zinc/17/87/37/485178737.db2.gz LLBLMLXUXXZHKF-YPMHNXCESA-N 2 0 352.435 -0.114 20 0 FBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)CCO1 ZINC000642094946 485186771 /nfs/dbraw/zinc/18/67/71/485186771.db2.gz ZMIVZMWASZAVMH-BHYGNILZSA-N 2 0 362.474 -0.150 20 0 FBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)CCO1 ZINC000642094947 485186557 /nfs/dbraw/zinc/18/65/57/485186557.db2.gz ZMIVZMWASZAVMH-UAGQMJEPSA-N 2 0 362.474 -0.150 20 0 FBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)CCO1 ZINC000642094948 485187150 /nfs/dbraw/zinc/18/71/50/485187150.db2.gz ZMIVZMWASZAVMH-USXIJHARSA-N 2 0 362.474 -0.150 20 0 FBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)CCO1 ZINC000642094949 485186668 /nfs/dbraw/zinc/18/66/68/485186668.db2.gz ZMIVZMWASZAVMH-XIRDDKMYSA-N 2 0 362.474 -0.150 20 0 FBADRP O=C(NCC[NH2+]C1CC1)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000642098592 485187784 /nfs/dbraw/zinc/18/77/84/485187784.db2.gz KSSIGZKRJWKEOB-UHFFFAOYSA-N 2 0 373.501 -0.211 20 0 FBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000642101767 485189229 /nfs/dbraw/zinc/18/92/29/485189229.db2.gz AOPLVJGGYVKAMO-BHYGNILZSA-N 2 0 360.458 -0.048 20 0 FBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000642101768 485188670 /nfs/dbraw/zinc/18/86/70/485188670.db2.gz AOPLVJGGYVKAMO-UAGQMJEPSA-N 2 0 360.458 -0.048 20 0 FBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000642101769 485190228 /nfs/dbraw/zinc/19/02/28/485190228.db2.gz AOPLVJGGYVKAMO-USXIJHARSA-N 2 0 360.458 -0.048 20 0 FBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000642101770 485190270 /nfs/dbraw/zinc/19/02/70/485190270.db2.gz AOPLVJGGYVKAMO-XIRDDKMYSA-N 2 0 360.458 -0.048 20 0 FBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)CCO1 ZINC000642104419 485191392 /nfs/dbraw/zinc/19/13/92/485191392.db2.gz IVJXEPJJLPYBAA-BHYGNILZSA-N 2 0 362.474 -0.150 20 0 FBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)CCO1 ZINC000642104420 485191774 /nfs/dbraw/zinc/19/17/74/485191774.db2.gz IVJXEPJJLPYBAA-UAGQMJEPSA-N 2 0 362.474 -0.150 20 0 FBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)CCO1 ZINC000642104421 485191194 /nfs/dbraw/zinc/19/11/94/485191194.db2.gz IVJXEPJJLPYBAA-USXIJHARSA-N 2 0 362.474 -0.150 20 0 FBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)CCO1 ZINC000642104422 485192129 /nfs/dbraw/zinc/19/21/29/485192129.db2.gz IVJXEPJJLPYBAA-XIRDDKMYSA-N 2 0 362.474 -0.150 20 0 FBADRP CN1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCCCCC2)[C@@H](C[NH3+])C1 ZINC000642220628 483958359 /nfs/dbraw/zinc/95/83/59/483958359.db2.gz XAQQNIGYPIZSTH-HNNXBMFYSA-N 2 0 353.511 -0.142 20 0 FBADRP CN1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCCCCC2)[C@H](C[NH3+])C1 ZINC000642220634 483958643 /nfs/dbraw/zinc/95/86/43/483958643.db2.gz XAQQNIGYPIZSTH-OAHLLOKOSA-N 2 0 353.511 -0.142 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)C1 ZINC000642222628 483964250 /nfs/dbraw/zinc/96/42/50/483964250.db2.gz JFFNCACRVXNRCI-KFWWJZLASA-N 2 0 356.467 -0.966 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)C1 ZINC000642222629 483963229 /nfs/dbraw/zinc/96/32/29/483963229.db2.gz JFFNCACRVXNRCI-RBSFLKMASA-N 2 0 356.467 -0.966 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)C1 ZINC000642222630 483964484 /nfs/dbraw/zinc/96/44/84/483964484.db2.gz JFFNCACRVXNRCI-RRFJBIMHSA-N 2 0 356.467 -0.966 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)C1 ZINC000642222631 483964161 /nfs/dbraw/zinc/96/41/61/483964161.db2.gz JFFNCACRVXNRCI-ZNMIVQPWSA-N 2 0 356.467 -0.966 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)C1 ZINC000642222677 483964045 /nfs/dbraw/zinc/96/40/45/483964045.db2.gz TVLJIORNLFNFIL-ARFHVFGLSA-N 2 0 352.479 -0.330 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)C1 ZINC000642222678 483965041 /nfs/dbraw/zinc/96/50/41/483965041.db2.gz TVLJIORNLFNFIL-BZUAXINKSA-N 2 0 352.479 -0.330 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)C1 ZINC000642222679 483965752 /nfs/dbraw/zinc/96/57/52/483965752.db2.gz TVLJIORNLFNFIL-OAGGEKHMSA-N 2 0 352.479 -0.330 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)C1 ZINC000642222680 483965917 /nfs/dbraw/zinc/96/59/17/483965917.db2.gz TVLJIORNLFNFIL-XHSDSOJGSA-N 2 0 352.479 -0.330 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[NH2+][C@@H](C(C)C)C2)C1 ZINC000642222713 483965838 /nfs/dbraw/zinc/96/58/38/483965838.db2.gz WNAXBTPLIUADIE-HZPDHXFCSA-N 2 0 354.495 -0.084 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[NH2+][C@@H](C(C)C)C2)C1 ZINC000642222715 483964988 /nfs/dbraw/zinc/96/49/88/483964988.db2.gz WNAXBTPLIUADIE-JKSUJKDBSA-N 2 0 354.495 -0.084 20 0 FBADRP CC(C)[C@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC[NH2+]1 ZINC000642268788 484289683 /nfs/dbraw/zinc/28/96/83/484289683.db2.gz QZTWLMXIFUXSMJ-BRWVUGGUSA-N 2 0 366.506 -0.063 20 0 FBADRP CC(C)[C@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC[NH2+]1 ZINC000642268789 484289930 /nfs/dbraw/zinc/28/99/30/484289930.db2.gz QZTWLMXIFUXSMJ-IKGGRYGDSA-N 2 0 366.506 -0.063 20 0 FBADRP CC(C)[C@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC[NH2+]1 ZINC000642268790 484289593 /nfs/dbraw/zinc/28/95/93/484289593.db2.gz QZTWLMXIFUXSMJ-IXDOHACOSA-N 2 0 366.506 -0.063 20 0 FBADRP CC(C)[C@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC[NH2+]1 ZINC000642268791 484290770 /nfs/dbraw/zinc/29/07/70/484290770.db2.gz QZTWLMXIFUXSMJ-ZACQAIPSSA-N 2 0 366.506 -0.063 20 0 FBADRP C[NH+](C)CCOc1cc(CNC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)ccn1 ZINC000642268807 484290131 /nfs/dbraw/zinc/29/01/31/484290131.db2.gz ZHGPHEPQZWPQJT-HNNXBMFYSA-N 2 0 363.462 -0.104 20 0 FBADRP C[NH+](C)CCOc1cc(CNC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)ccn1 ZINC000642268808 484289059 /nfs/dbraw/zinc/28/90/59/484289059.db2.gz ZHGPHEPQZWPQJT-OAHLLOKOSA-N 2 0 363.462 -0.104 20 0 FBADRP CN1CCN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCCC2)[C@H](C[NH3+])C1 ZINC000642318730 484333810 /nfs/dbraw/zinc/33/38/10/484333810.db2.gz PNZMJMOPVDUYTK-GOSISDBHSA-N 2 0 373.501 0.000 20 0 FBADRP CN1CCN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCCC2)[C@@H](C[NH3+])C1 ZINC000642318731 484334036 /nfs/dbraw/zinc/33/40/36/484334036.db2.gz PNZMJMOPVDUYTK-SFHVURJKSA-N 2 0 373.501 0.000 20 0 FBADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000642345367 484383256 /nfs/dbraw/zinc/38/32/56/484383256.db2.gz FCTBEPHLFGCPHO-CABCVRRESA-N 2 0 353.511 -0.095 20 0 FBADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000642345368 484383213 /nfs/dbraw/zinc/38/32/13/484383213.db2.gz FCTBEPHLFGCPHO-GJZGRUSLSA-N 2 0 353.511 -0.095 20 0 FBADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000642345369 484382801 /nfs/dbraw/zinc/38/28/01/484382801.db2.gz FCTBEPHLFGCPHO-HUUCEWRRSA-N 2 0 353.511 -0.095 20 0 FBADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000642345370 484382528 /nfs/dbraw/zinc/38/25/28/484382528.db2.gz FCTBEPHLFGCPHO-LSDHHAIUSA-N 2 0 353.511 -0.095 20 0 FBADRP C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)[C@@H]1C[NH3+] ZINC000642345371 484382920 /nfs/dbraw/zinc/38/29/20/484382920.db2.gz FEBCRSONUPRBRU-BFYDXBDKSA-N 2 0 365.522 -0.143 20 0 FBADRP C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)[C@@H]1C[NH3+] ZINC000642345372 484382317 /nfs/dbraw/zinc/38/23/17/484382317.db2.gz FEBCRSONUPRBRU-HLLBOEOZSA-N 2 0 365.522 -0.143 20 0 FBADRP C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)[C@H]1C[NH3+] ZINC000642345373 484382977 /nfs/dbraw/zinc/38/29/77/484382977.db2.gz FEBCRSONUPRBRU-INMHGKMJSA-N 2 0 365.522 -0.143 20 0 FBADRP C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)[C@H]1C[NH3+] ZINC000642345374 484382220 /nfs/dbraw/zinc/38/22/20/484382220.db2.gz FEBCRSONUPRBRU-VYDXJSESSA-N 2 0 365.522 -0.143 20 0 FBADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N[C@H](C[NH3+])C3CCCC3)C2)CC1 ZINC000642345375 484382066 /nfs/dbraw/zinc/38/20/66/484382066.db2.gz GJKOUTJEKZYUSZ-DOTOQJQBSA-N 2 0 365.522 -0.095 20 0 FBADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N[C@H](C[NH3+])C3CCCC3)C2)CC1 ZINC000642345376 484382572 /nfs/dbraw/zinc/38/25/72/484382572.db2.gz GJKOUTJEKZYUSZ-NVXWUHKLSA-N 2 0 365.522 -0.095 20 0 FBADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N[C@@H](C[NH3+])C3CCCC3)C2)CC1 ZINC000642345377 484382105 /nfs/dbraw/zinc/38/21/05/484382105.db2.gz GJKOUTJEKZYUSZ-RDJZCZTQSA-N 2 0 365.522 -0.095 20 0 FBADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N[C@@H](C[NH3+])C3CCCC3)C2)CC1 ZINC000642345378 484382884 /nfs/dbraw/zinc/38/28/84/484382884.db2.gz GJKOUTJEKZYUSZ-WBVHZDCISA-N 2 0 365.522 -0.095 20 0 FBADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)C2)CC1 ZINC000642345379 484382432 /nfs/dbraw/zinc/38/24/32/484382432.db2.gz HHXLSKVGUWWGLE-OWCLPIDISA-N 2 0 363.506 -0.376 20 0 FBADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)C2)CC1 ZINC000642345380 484383275 /nfs/dbraw/zinc/38/32/75/484383275.db2.gz HHXLSKVGUWWGLE-XHSDSOJGSA-N 2 0 363.506 -0.376 20 0 FBADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N[C@@H]3CCCC[C@@H]3C[NH3+])C2)CC1 ZINC000642345381 484382373 /nfs/dbraw/zinc/38/23/73/484382373.db2.gz HOSPEEKCWAIDAZ-HLLBOEOZSA-N 2 0 365.522 -0.095 20 0 FBADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N[C@H]3CCCC[C@@H]3C[NH3+])C2)CC1 ZINC000642345382 484382637 /nfs/dbraw/zinc/38/26/37/484382637.db2.gz HOSPEEKCWAIDAZ-VYDXJSESSA-N 2 0 365.522 -0.095 20 0 FBADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N[C@@H]3CCCC[C@H]3C[NH3+])C2)CC1 ZINC000642345383 484383146 /nfs/dbraw/zinc/38/31/46/484383146.db2.gz HOSPEEKCWAIDAZ-YQQAZPJKSA-N 2 0 365.522 -0.095 20 0 FBADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N[C@H]3CCCC[C@H]3C[NH3+])C2)CC1 ZINC000642345384 484382999 /nfs/dbraw/zinc/38/29/99/484382999.db2.gz HOSPEEKCWAIDAZ-ZOBUZTSGSA-N 2 0 365.522 -0.095 20 0 FBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000642345400 484384994 /nfs/dbraw/zinc/38/49/94/484384994.db2.gz KEJAMLOXGLEYDM-DOTOQJQBSA-N 2 0 365.522 -0.128 20 0 FBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000642345401 484385037 /nfs/dbraw/zinc/38/50/37/484385037.db2.gz KEJAMLOXGLEYDM-NVXWUHKLSA-N 2 0 365.522 -0.128 20 0 FBADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000642345402 484383791 /nfs/dbraw/zinc/38/37/91/484383791.db2.gz KEJAMLOXGLEYDM-RDJZCZTQSA-N 2 0 365.522 -0.128 20 0 FBADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000642345403 484384595 /nfs/dbraw/zinc/38/45/95/484384595.db2.gz KEJAMLOXGLEYDM-WBVHZDCISA-N 2 0 365.522 -0.128 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)[C@@H](C)C[NH2+]1 ZINC000642345422 484383881 /nfs/dbraw/zinc/38/38/81/484383881.db2.gz OTCNFBCSOVDWGO-ILXRZTDVSA-N 2 0 351.495 -0.520 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)[C@H](C)C[NH2+]1 ZINC000642345423 484383811 /nfs/dbraw/zinc/38/38/11/484383811.db2.gz OTCNFBCSOVDWGO-KFWWJZLASA-N 2 0 351.495 -0.520 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)[C@@H](C)C[NH2+]1 ZINC000642345424 484383992 /nfs/dbraw/zinc/38/39/92/484383992.db2.gz OTCNFBCSOVDWGO-QLFBSQMISA-N 2 0 351.495 -0.520 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)[C@H](C)C[NH2+]1 ZINC000642345425 484384240 /nfs/dbraw/zinc/38/42/40/484384240.db2.gz OTCNFBCSOVDWGO-RBSFLKMASA-N 2 0 351.495 -0.520 20 0 FBADRP CC(C)[C@H]1CN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC[NH2+]1 ZINC000642345426 484384270 /nfs/dbraw/zinc/38/42/70/484384270.db2.gz POLINTGLGYBRJT-DOTOQJQBSA-N 2 0 365.522 -0.273 20 0 FBADRP CC(C)[C@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC[NH2+]1 ZINC000642345427 484384094 /nfs/dbraw/zinc/38/40/94/484384094.db2.gz POLINTGLGYBRJT-NVXWUHKLSA-N 2 0 365.522 -0.273 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C[C@@H](C)[NH2+]1 ZINC000642345428 484384707 /nfs/dbraw/zinc/38/47/07/484384707.db2.gz QMRWPMXNTAZNHD-KFWWJZLASA-N 2 0 351.495 -0.520 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C[C@H](C)[NH2+]1 ZINC000642345429 484383585 /nfs/dbraw/zinc/38/35/85/484383585.db2.gz QMRWPMXNTAZNHD-QLFBSQMISA-N 2 0 351.495 -0.520 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C[C@@H](C)[NH2+]1 ZINC000642345430 484384127 /nfs/dbraw/zinc/38/41/27/484384127.db2.gz QMRWPMXNTAZNHD-RBSFLKMASA-N 2 0 351.495 -0.520 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C[C@H](C)[NH2+]1 ZINC000642345431 484384858 /nfs/dbraw/zinc/38/48/58/484384858.db2.gz QMRWPMXNTAZNHD-ZNMIVQPWSA-N 2 0 351.495 -0.520 20 0 FBADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000642345440 484383682 /nfs/dbraw/zinc/38/36/82/484383682.db2.gz SYUWIVHDHJLJRX-UXLLHSPISA-N 2 0 365.522 -0.001 20 0 FBADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000642345441 484383647 /nfs/dbraw/zinc/38/36/47/484383647.db2.gz SYUWIVHDHJLJRX-YQQAZPJKSA-N 2 0 365.522 -0.001 20 0 FBADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000642345442 484384461 /nfs/dbraw/zinc/38/44/61/484384461.db2.gz SYUWIVHDHJLJRX-ZMSDIMECSA-N 2 0 365.522 -0.001 20 0 FBADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000642345443 484385335 /nfs/dbraw/zinc/38/53/35/484385335.db2.gz SYUWIVHDHJLJRX-ZOBUZTSGSA-N 2 0 365.522 -0.001 20 0 FBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000642439906 484343400 /nfs/dbraw/zinc/34/34/00/484343400.db2.gz RFSOKXWBDSKJIC-CABCVRRESA-N 2 0 367.494 -0.710 20 0 FBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000642439907 484342668 /nfs/dbraw/zinc/34/26/68/484342668.db2.gz RFSOKXWBDSKJIC-GJZGRUSLSA-N 2 0 367.494 -0.710 20 0 FBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000642439908 484343454 /nfs/dbraw/zinc/34/34/54/484343454.db2.gz RFSOKXWBDSKJIC-HUUCEWRRSA-N 2 0 367.494 -0.710 20 0 FBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000642439909 484342741 /nfs/dbraw/zinc/34/27/41/484342741.db2.gz RFSOKXWBDSKJIC-LSDHHAIUSA-N 2 0 367.494 -0.710 20 0 FBADRP O=C(NCCc1ccc(OCC[NH+]2CCCC2)cc1)C(=O)NC1C[NH2+]C1 ZINC000642481186 484385863 /nfs/dbraw/zinc/38/58/63/484385863.db2.gz LQVUENQMFPOWPG-UHFFFAOYSA-N 2 0 360.458 -0.092 20 0 FBADRP CC(C)[C@H](CNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1)N1CC[NH+](C)CC1 ZINC000642531624 484386995 /nfs/dbraw/zinc/38/69/95/484386995.db2.gz KERMUQQLICMLLM-CVEARBPZSA-N 2 0 353.511 -0.367 20 0 FBADRP CC(C)[C@H](CNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1)N1CC[NH+](C)CC1 ZINC000642531625 484386760 /nfs/dbraw/zinc/38/67/60/484386760.db2.gz KERMUQQLICMLLM-HOTGVXAUSA-N 2 0 353.511 -0.367 20 0 FBADRP CC(C)[C@@H](CNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1)N1CC[NH+](C)CC1 ZINC000642531626 484386698 /nfs/dbraw/zinc/38/66/98/484386698.db2.gz KERMUQQLICMLLM-HZPDHXFCSA-N 2 0 353.511 -0.367 20 0 FBADRP CC(C)[C@@H](CNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1)N1CC[NH+](C)CC1 ZINC000642531627 484387015 /nfs/dbraw/zinc/38/70/15/484387015.db2.gz KERMUQQLICMLLM-JKSUJKDBSA-N 2 0 353.511 -0.367 20 0 FBADRP CC(C)[C@H]1CN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC[NH2+]1 ZINC000642647736 484880706 /nfs/dbraw/zinc/88/07/06/484880706.db2.gz KEHIRCHPMAPEMY-OAHLLOKOSA-N 2 0 353.511 -0.415 20 0 FBADRP CC(C)[C@H]1CN(C(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)CC[NH2+]1 ZINC000642683341 483409847 /nfs/dbraw/zinc/40/98/47/483409847.db2.gz WXPIJOONKVGAFY-MRXNPFEDSA-N 2 0 353.511 -0.415 20 0 FBADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)NC[C@H](C)[NH3+])cc2)CC1 ZINC000642720649 483515687 /nfs/dbraw/zinc/51/56/87/483515687.db2.gz QXRSEFSYSHLVPI-HNNXBMFYSA-N 2 0 361.490 -0.096 20 0 FBADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)NC[C@@H](C)[NH3+])cc2)CC1 ZINC000642720650 483516061 /nfs/dbraw/zinc/51/60/61/483516061.db2.gz QXRSEFSYSHLVPI-OAHLLOKOSA-N 2 0 361.490 -0.096 20 0 FBADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)NC[C@H](C)[NH3+])CC1 ZINC000642720656 483515032 /nfs/dbraw/zinc/51/50/32/483515032.db2.gz YZJHIYKGSZZXEQ-HNNXBMFYSA-N 2 0 361.490 -0.096 20 0 FBADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)NC[C@@H](C)[NH3+])CC1 ZINC000642720657 483515102 /nfs/dbraw/zinc/51/51/02/483515102.db2.gz YZJHIYKGSZZXEQ-OAHLLOKOSA-N 2 0 361.490 -0.096 20 0 FBADRP CC(C)[C@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC[NH2+]1 ZINC000642723708 483515737 /nfs/dbraw/zinc/51/57/37/483515737.db2.gz ZVHXIEZQKMFVFC-HUUCEWRRSA-N 2 0 367.494 -0.854 20 0 FBADRP CC(C)[C@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC[NH2+]1 ZINC000642723709 483515881 /nfs/dbraw/zinc/51/58/81/483515881.db2.gz ZVHXIEZQKMFVFC-LSDHHAIUSA-N 2 0 367.494 -0.854 20 0 FBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)NCC[NH2+]C1CC1 ZINC000642724563 483515757 /nfs/dbraw/zinc/51/57/57/483515757.db2.gz YJCDOVGNOZDKMV-UHFFFAOYSA-N 3 0 374.489 -0.422 20 0 FBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CCO1 ZINC000642726001 483517393 /nfs/dbraw/zinc/51/73/93/483517393.db2.gz YGBPQLAPJJDVRH-PBHICJAKSA-N 2 0 374.485 -0.224 20 0 FBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CCO1 ZINC000642726002 483517126 /nfs/dbraw/zinc/51/71/26/483517126.db2.gz YGBPQLAPJJDVRH-RHSMWYFYSA-N 2 0 374.485 -0.224 20 0 FBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CCO1 ZINC000642726003 483516911 /nfs/dbraw/zinc/51/69/11/483516911.db2.gz YGBPQLAPJJDVRH-WMLDXEAASA-N 2 0 374.485 -0.224 20 0 FBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CCO1 ZINC000642726004 483516950 /nfs/dbraw/zinc/51/69/50/483516950.db2.gz YGBPQLAPJJDVRH-YOEHRIQHSA-N 2 0 374.485 -0.224 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)C[C@H]1[NH3+] ZINC000642733034 483576839 /nfs/dbraw/zinc/57/68/39/483576839.db2.gz RYXLUPJWRYJYOP-KBAYOESNSA-N 2 0 373.501 -0.103 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)C[C@H]1[NH3+] ZINC000642733036 483576816 /nfs/dbraw/zinc/57/68/16/483576816.db2.gz RYXLUPJWRYJYOP-NXHRZFHOSA-N 2 0 373.501 -0.103 20 0 FBADRP C[C@H]([NH3+])CNC(=O)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000642735278 483578348 /nfs/dbraw/zinc/57/83/48/483578348.db2.gz UJLQYEFNCNOEPA-INIZCTEOSA-N 2 0 361.490 -0.226 20 0 FBADRP C[C@@H]([NH3+])CNC(=O)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000642735279 483577298 /nfs/dbraw/zinc/57/72/98/483577298.db2.gz UJLQYEFNCNOEPA-MRXNPFEDSA-N 2 0 361.490 -0.226 20 0 FBADRP C[C@H]([NH3+])CNC(=O)C(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000642735284 483577667 /nfs/dbraw/zinc/57/76/67/483577667.db2.gz XIRUENLCCRNOBN-DOTOQJQBSA-N 2 0 361.490 -0.055 20 0 FBADRP C[C@@H]([NH3+])CNC(=O)C(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000642735285 483578021 /nfs/dbraw/zinc/57/80/21/483578021.db2.gz XIRUENLCCRNOBN-NVXWUHKLSA-N 2 0 361.490 -0.055 20 0 FBADRP C[C@H]([NH3+])CNC(=O)C(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000642735286 483578090 /nfs/dbraw/zinc/57/80/90/483578090.db2.gz XIRUENLCCRNOBN-RDJZCZTQSA-N 2 0 361.490 -0.055 20 0 FBADRP C[C@@H]([NH3+])CNC(=O)C(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000642735287 483577772 /nfs/dbraw/zinc/57/77/72/483577772.db2.gz XIRUENLCCRNOBN-WBVHZDCISA-N 2 0 361.490 -0.055 20 0 FBADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000642750505 483587253 /nfs/dbraw/zinc/58/72/53/483587253.db2.gz KLVURUQAKGGCJD-HNNXBMFYSA-N 2 0 367.494 -0.695 20 0 FBADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000642750506 483587688 /nfs/dbraw/zinc/58/76/88/483587688.db2.gz KLVURUQAKGGCJD-OAHLLOKOSA-N 2 0 367.494 -0.695 20 0 FBADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N2CC[NH2+][C@@H](C(C)C)C2)CC1 ZINC000642750931 483587759 /nfs/dbraw/zinc/58/77/59/483587759.db2.gz YIBVZGINLJVTRN-QGZVFWFLSA-N 2 0 367.538 -0.023 20 0 FBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642756526 483601076 /nfs/dbraw/zinc/60/10/76/483601076.db2.gz XHQYPYXOYJAFQR-CABCVRRESA-N 2 0 367.494 -0.696 20 0 FBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642756527 483601564 /nfs/dbraw/zinc/60/15/64/483601564.db2.gz XHQYPYXOYJAFQR-GJZGRUSLSA-N 2 0 367.494 -0.696 20 0 FBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642756528 483601265 /nfs/dbraw/zinc/60/12/65/483601265.db2.gz XHQYPYXOYJAFQR-HUUCEWRRSA-N 2 0 367.494 -0.696 20 0 FBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642756529 483601093 /nfs/dbraw/zinc/60/10/93/483601093.db2.gz XHQYPYXOYJAFQR-LSDHHAIUSA-N 2 0 367.494 -0.696 20 0 FBADRP CC(C)[NH+](CCCNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1)C(C)C ZINC000642787363 483662509 /nfs/dbraw/zinc/66/25/09/483662509.db2.gz DCSDWIHHBNLFGR-UHFFFAOYSA-N 2 0 355.483 -0.841 20 0 FBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCc2ccc(CC[NH+](C)C)cc2)CCO1 ZINC000642800062 483721970 /nfs/dbraw/zinc/72/19/70/483721970.db2.gz KQLXLSPJHWICJJ-PBHICJAKSA-N 2 0 362.474 -0.019 20 0 FBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCc2ccc(CC[NH+](C)C)cc2)CCO1 ZINC000642800063 483721814 /nfs/dbraw/zinc/72/18/14/483721814.db2.gz KQLXLSPJHWICJJ-RHSMWYFYSA-N 2 0 362.474 -0.019 20 0 FBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCc2ccc(CC[NH+](C)C)cc2)CCO1 ZINC000642800064 483721691 /nfs/dbraw/zinc/72/16/91/483721691.db2.gz KQLXLSPJHWICJJ-WMLDXEAASA-N 2 0 362.474 -0.019 20 0 FBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCc2ccc(CC[NH+](C)C)cc2)CCO1 ZINC000642800065 483721937 /nfs/dbraw/zinc/72/19/37/483721937.db2.gz KQLXLSPJHWICJJ-YOEHRIQHSA-N 2 0 362.474 -0.019 20 0 FBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)CCO1 ZINC000642808929 483752381 /nfs/dbraw/zinc/75/23/81/483752381.db2.gz JJOQTAXMTZTGLH-BBRMVZONSA-N 2 0 366.437 -0.052 20 0 FBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)CCO1 ZINC000642808930 483752153 /nfs/dbraw/zinc/75/21/53/483752153.db2.gz JJOQTAXMTZTGLH-CJNGLKHVSA-N 2 0 366.437 -0.052 20 0 FBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)CCO1 ZINC000642808931 483752163 /nfs/dbraw/zinc/75/21/63/483752163.db2.gz JJOQTAXMTZTGLH-CZUORRHYSA-N 2 0 366.437 -0.052 20 0 FBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)CCO1 ZINC000642808932 483752303 /nfs/dbraw/zinc/75/23/03/483752303.db2.gz JJOQTAXMTZTGLH-XJKSGUPXSA-N 2 0 366.437 -0.052 20 0 FBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CC[NH2+][C@@H](C(C)C)C2)CC1 ZINC000642886774 483799108 /nfs/dbraw/zinc/79/91/08/483799108.db2.gz CADSDSAITSTRES-DLBZAZTESA-N 2 0 367.538 -0.167 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CC[NH2+][C@@H](C(C)C)C2)CC1 ZINC000642886775 483799272 /nfs/dbraw/zinc/79/92/72/483799272.db2.gz CADSDSAITSTRES-IAGOWNOFSA-N 2 0 367.538 -0.167 20 0 FBADRP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC[NH2+]1 ZINC000642886852 483799457 /nfs/dbraw/zinc/79/94/57/483799457.db2.gz UKUOXECOQFAFEA-HZPDHXFCSA-N 2 0 353.511 -0.558 20 0 FBADRP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC[NH2+]1 ZINC000642886855 483799634 /nfs/dbraw/zinc/79/96/34/483799634.db2.gz UKUOXECOQFAFEA-JKSUJKDBSA-N 2 0 353.511 -0.558 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000642886888 483799436 /nfs/dbraw/zinc/79/94/36/483799436.db2.gz XPYMZIFPUXPDDF-CVEARBPZSA-N 2 0 353.511 -0.366 20 0 FBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000642886889 483799593 /nfs/dbraw/zinc/79/95/93/483799593.db2.gz XPYMZIFPUXPDDF-HOTGVXAUSA-N 2 0 353.511 -0.366 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000642886890 483799612 /nfs/dbraw/zinc/79/96/12/483799612.db2.gz XPYMZIFPUXPDDF-HZPDHXFCSA-N 2 0 353.511 -0.366 20 0 FBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000642886891 483799131 /nfs/dbraw/zinc/79/91/31/483799131.db2.gz XPYMZIFPUXPDDF-JKSUJKDBSA-N 2 0 353.511 -0.366 20 0 FBADRP CC[NH2+]CCCNC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000642895936 483838940 /nfs/dbraw/zinc/83/89/40/483838940.db2.gz YUKPNBDUJFGADV-SJPCQFCGSA-N 2 0 365.522 -0.128 20 0 FBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCCC[NH2+]C3CC3)CC2)C1 ZINC000642896302 483839752 /nfs/dbraw/zinc/83/97/52/483839752.db2.gz BQRHVPNSCMWKPE-INIZCTEOSA-N 2 0 351.495 -0.517 20 0 FBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCCC[NH2+]C3CC3)CC2)C1 ZINC000642896303 483839816 /nfs/dbraw/zinc/83/98/16/483839816.db2.gz BQRHVPNSCMWKPE-MRXNPFEDSA-N 2 0 351.495 -0.517 20 0 FBADRP O=C(NCCCN1CC[NH2+]CC1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000642896800 483842252 /nfs/dbraw/zinc/84/22/52/483842252.db2.gz AZSPTLPDFBFULK-UHFFFAOYSA-N 2 0 360.462 -0.858 20 0 FBADRP O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000642902269 483871582 /nfs/dbraw/zinc/87/15/82/483871582.db2.gz NXPOJMMHZQZLDE-INIZCTEOSA-N 2 0 352.479 -0.185 20 0 FBADRP O=C(NC[C@H]1CCCC[NH2+]1)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000642902270 483871533 /nfs/dbraw/zinc/87/15/33/483871533.db2.gz NXPOJMMHZQZLDE-MRXNPFEDSA-N 2 0 352.479 -0.185 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000642902287 483871261 /nfs/dbraw/zinc/87/12/61/483871261.db2.gz OQSQSODXXDHJDX-HNNXBMFYSA-N 2 0 367.494 -0.743 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000642902288 483871529 /nfs/dbraw/zinc/87/15/29/483871529.db2.gz OQSQSODXXDHJDX-OAHLLOKOSA-N 2 0 367.494 -0.743 20 0 FBADRP O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000642903163 483871275 /nfs/dbraw/zinc/87/12/75/483871275.db2.gz DBSIMMZPQINXNK-CVEARBPZSA-N 2 0 352.479 -0.185 20 0 FBADRP O=C(NC[C@H]1CCCC[NH2+]1)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000642903164 483871237 /nfs/dbraw/zinc/87/12/37/483871237.db2.gz DBSIMMZPQINXNK-HZPDHXFCSA-N 2 0 352.479 -0.185 20 0 FBADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642903352 483871561 /nfs/dbraw/zinc/87/15/61/483871561.db2.gz HWWAMIDOMFYSSX-HNNXBMFYSA-N 2 0 353.511 -0.271 20 0 FBADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642903353 483871496 /nfs/dbraw/zinc/87/14/96/483871496.db2.gz HWWAMIDOMFYSSX-OAHLLOKOSA-N 2 0 353.511 -0.271 20 0 FBADRP O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000642903560 483871242 /nfs/dbraw/zinc/87/12/42/483871242.db2.gz LGPAHLJYOICJHN-INIZCTEOSA-N 2 0 352.479 -0.185 20 0 FBADRP O=C(NC[C@H]1CCCC[NH2+]1)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000642903561 483871169 /nfs/dbraw/zinc/87/11/69/483871169.db2.gz LGPAHLJYOICJHN-MRXNPFEDSA-N 2 0 352.479 -0.185 20 0 FBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000642903701 483871573 /nfs/dbraw/zinc/87/15/73/483871573.db2.gz NHESENHOAOWVQJ-CABCVRRESA-N 2 0 365.478 -0.990 20 0 FBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000642903702 483871212 /nfs/dbraw/zinc/87/12/12/483871212.db2.gz NHESENHOAOWVQJ-GJZGRUSLSA-N 2 0 365.478 -0.990 20 0 FBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000642903703 483871570 /nfs/dbraw/zinc/87/15/70/483871570.db2.gz NHESENHOAOWVQJ-HUUCEWRRSA-N 2 0 365.478 -0.990 20 0 FBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000642903704 483871546 /nfs/dbraw/zinc/87/15/46/483871546.db2.gz NHESENHOAOWVQJ-LSDHHAIUSA-N 2 0 365.478 -0.990 20 0 FBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000642903772 483871433 /nfs/dbraw/zinc/87/14/33/483871433.db2.gz ODGHPZQDGHPFII-AWEZNQCLSA-N 2 0 361.446 -0.003 20 0 FBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000642903773 483871507 /nfs/dbraw/zinc/87/15/07/483871507.db2.gz ODGHPZQDGHPFII-CQSZACIVSA-N 2 0 361.446 -0.003 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)NC[C@@H]3CCCC[NH2+]3)CC2)c1 ZINC000642904432 483872124 /nfs/dbraw/zinc/87/21/24/483872124.db2.gz WJPIFZWEBXHBMW-AWEZNQCLSA-N 2 0 361.446 -0.003 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)NC[C@H]3CCCC[NH2+]3)CC2)c1 ZINC000642904433 483871655 /nfs/dbraw/zinc/87/16/55/483871655.db2.gz WJPIFZWEBXHBMW-CQSZACIVSA-N 2 0 361.446 -0.003 20 0 FBADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000642904490 483872078 /nfs/dbraw/zinc/87/20/78/483872078.db2.gz XRNVYIRONMWRQA-HNNXBMFYSA-N 2 0 365.478 -0.989 20 0 FBADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000642904491 483871714 /nfs/dbraw/zinc/87/17/14/483871714.db2.gz XRNVYIRONMWRQA-OAHLLOKOSA-N 2 0 365.478 -0.989 20 0 FBADRP CN(C(=O)C(=O)NC[C@@H]1CCCC[NH2+]1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000642904552 483872005 /nfs/dbraw/zinc/87/20/05/483872005.db2.gz YWPSQCOUZCPGAP-DOTOQJQBSA-N 2 0 365.522 -0.128 20 0 FBADRP CN(C(=O)C(=O)NC[C@H]1CCCC[NH2+]1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000642904553 483872097 /nfs/dbraw/zinc/87/20/97/483872097.db2.gz YWPSQCOUZCPGAP-NVXWUHKLSA-N 2 0 365.522 -0.128 20 0 FBADRP CN(C(=O)C(=O)NC[C@@H]1CCCC[NH2+]1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000642904554 483872103 /nfs/dbraw/zinc/87/21/03/483872103.db2.gz YWPSQCOUZCPGAP-RDJZCZTQSA-N 2 0 365.522 -0.128 20 0 FBADRP CN(C(=O)C(=O)NC[C@H]1CCCC[NH2+]1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000642904555 483872042 /nfs/dbraw/zinc/87/20/42/483872042.db2.gz YWPSQCOUZCPGAP-WBVHZDCISA-N 2 0 365.522 -0.128 20 0 FBADRP O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000642904992 483871887 /nfs/dbraw/zinc/87/18/87/483871887.db2.gz DBSIMMZPQINXNK-HOTGVXAUSA-N 2 0 352.479 -0.185 20 0 FBADRP O=C(NC[C@H]1CCCC[NH2+]1)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000642904993 483872108 /nfs/dbraw/zinc/87/21/08/483872108.db2.gz DBSIMMZPQINXNK-JKSUJKDBSA-N 2 0 352.479 -0.185 20 0 FBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NC[C@H]3CCCC[NH2+]3)CC2)C1 ZINC000642905044 483871720 /nfs/dbraw/zinc/87/17/20/483871720.db2.gz FHLPHKJFGDDGEV-CVEARBPZSA-N 2 0 351.495 -0.517 20 0 FBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NC[C@@H]3CCCC[NH2+]3)CC2)C1 ZINC000642905045 483871836 /nfs/dbraw/zinc/87/18/36/483871836.db2.gz FHLPHKJFGDDGEV-HOTGVXAUSA-N 2 0 351.495 -0.517 20 0 FBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NC[C@H]3CCCC[NH2+]3)CC2)C1 ZINC000642905046 483871893 /nfs/dbraw/zinc/87/18/93/483871893.db2.gz FHLPHKJFGDDGEV-HZPDHXFCSA-N 2 0 351.495 -0.517 20 0 FBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NC[C@@H]3CCCC[NH2+]3)CC2)C1 ZINC000642905047 483871797 /nfs/dbraw/zinc/87/17/97/483871797.db2.gz FHLPHKJFGDDGEV-JKSUJKDBSA-N 2 0 351.495 -0.517 20 0 FBADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642905295 483872119 /nfs/dbraw/zinc/87/21/19/483872119.db2.gz JYVFGRZUJUZPOP-CABCVRRESA-N 2 0 352.479 -0.044 20 0 FBADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642905296 483871672 /nfs/dbraw/zinc/87/16/72/483871672.db2.gz JYVFGRZUJUZPOP-GJZGRUSLSA-N 2 0 352.479 -0.044 20 0 FBADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642905297 483871822 /nfs/dbraw/zinc/87/18/22/483871822.db2.gz JYVFGRZUJUZPOP-HUUCEWRRSA-N 2 0 352.479 -0.044 20 0 FBADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642905298 483872130 /nfs/dbraw/zinc/87/21/30/483872130.db2.gz JYVFGRZUJUZPOP-LSDHHAIUSA-N 2 0 352.479 -0.044 20 0 FBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000642906260 483872609 /nfs/dbraw/zinc/87/26/09/483872609.db2.gz CGCSIUBYDIORDG-DLBZAZTESA-N 2 0 365.522 -0.127 20 0 FBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000642906261 483872560 /nfs/dbraw/zinc/87/25/60/483872560.db2.gz CGCSIUBYDIORDG-IAGOWNOFSA-N 2 0 365.522 -0.127 20 0 FBADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000642906262 483872507 /nfs/dbraw/zinc/87/25/07/483872507.db2.gz CGCSIUBYDIORDG-IRXDYDNUSA-N 2 0 365.522 -0.127 20 0 FBADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000642906263 483872382 /nfs/dbraw/zinc/87/23/82/483872382.db2.gz CGCSIUBYDIORDG-SJORKVTESA-N 2 0 365.522 -0.127 20 0 FBADRP C[C@H]([NH3+])CNC(=O)C(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000642909265 483874888 /nfs/dbraw/zinc/87/48/88/483874888.db2.gz JPXKNVFTIRDGCI-INIZCTEOSA-N 2 0 361.490 -0.274 20 0 FBADRP C[C@@H]([NH3+])CNC(=O)C(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000642909266 483875079 /nfs/dbraw/zinc/87/50/79/483875079.db2.gz JPXKNVFTIRDGCI-MRXNPFEDSA-N 2 0 361.490 -0.274 20 0 FBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@H]3CCC[C@H]([NH3+])C3)CC2)C1 ZINC000642912550 483876467 /nfs/dbraw/zinc/87/64/67/483876467.db2.gz XSUGOXYSEBGKLB-JYJNAYRXSA-N 2 0 351.495 -0.389 20 0 FBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)CC2)C1 ZINC000642912551 483876778 /nfs/dbraw/zinc/87/67/78/483876778.db2.gz XSUGOXYSEBGKLB-OAGGEKHMSA-N 2 0 351.495 -0.389 20 0 FBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@H]3CCC[C@@H]([NH3+])C3)CC2)C1 ZINC000642912552 483876639 /nfs/dbraw/zinc/87/66/39/483876639.db2.gz XSUGOXYSEBGKLB-PMPSAXMXSA-N 2 0 351.495 -0.389 20 0 FBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)CC2)C1 ZINC000642912553 483876501 /nfs/dbraw/zinc/87/65/01/483876501.db2.gz XSUGOXYSEBGKLB-XHSDSOJGSA-N 2 0 351.495 -0.389 20 0 FBADRP [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000642912566 483876525 /nfs/dbraw/zinc/87/65/25/483876525.db2.gz YKEMUHVZGRHYFW-CABCVRRESA-N 2 0 365.478 -0.861 20 0 FBADRP [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000642912567 483876770 /nfs/dbraw/zinc/87/67/70/483876770.db2.gz YKEMUHVZGRHYFW-GJZGRUSLSA-N 2 0 365.478 -0.861 20 0 FBADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000642912568 483876784 /nfs/dbraw/zinc/87/67/84/483876784.db2.gz YKEMUHVZGRHYFW-HUUCEWRRSA-N 2 0 365.478 -0.861 20 0 FBADRP [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000642912569 483876745 /nfs/dbraw/zinc/87/67/45/483876745.db2.gz YKEMUHVZGRHYFW-LSDHHAIUSA-N 2 0 365.478 -0.861 20 0 FBADRP CN1CCC(CNC(=O)C(=O)NCC[NH2+]C2CC2)([NH+]2CCCCC2)CC1 ZINC000642917903 483879951 /nfs/dbraw/zinc/87/99/51/483879951.db2.gz HPHBSIVKTIJVEG-UHFFFAOYSA-N 2 0 365.522 -0.079 20 0 FBADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)NCC[NH2+]C2CC2)CC1 ZINC000642918395 483880141 /nfs/dbraw/zinc/88/01/41/483880141.db2.gz SMDYTAMMJXFEEW-HOTGVXAUSA-N 2 0 365.522 -0.128 20 0 FBADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)NCC[NH2+]C2CC2)CC1 ZINC000642918396 483880018 /nfs/dbraw/zinc/88/00/18/483880018.db2.gz SMDYTAMMJXFEEW-HZPDHXFCSA-N 2 0 365.522 -0.128 20 0 FBADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)NCC[NH2+]C2CC2)CC1 ZINC000642918397 483880330 /nfs/dbraw/zinc/88/03/30/483880330.db2.gz SMDYTAMMJXFEEW-IYBDPMFKSA-N 2 0 365.522 -0.128 20 0 FBADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NCC[NH2+]C2CC2)CC1 ZINC000642918818 483880034 /nfs/dbraw/zinc/88/00/34/483880034.db2.gz DBSFCCXRLNZMJL-INIZCTEOSA-N 2 0 351.495 -0.517 20 0 FBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NCC[NH2+]C2CC2)CC1 ZINC000642918819 483880327 /nfs/dbraw/zinc/88/03/27/483880327.db2.gz DBSFCCXRLNZMJL-MRXNPFEDSA-N 2 0 351.495 -0.517 20 0 FBADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)NCC[NH2+]C3CC3)CC2)CC1 ZINC000642919808 483880697 /nfs/dbraw/zinc/88/06/97/483880697.db2.gz HSVLEQBOAAWBKR-UHFFFAOYSA-N 2 0 365.522 -0.128 20 0 FBADRP CC(C)[NH2+]CCCNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000642921186 483881626 /nfs/dbraw/zinc/88/16/26/483881626.db2.gz GZQMGFNZNJEFJS-INIZCTEOSA-N 2 0 353.511 -0.271 20 0 FBADRP CC(C)[NH2+]CCCNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000642921187 483881750 /nfs/dbraw/zinc/88/17/50/483881750.db2.gz GZQMGFNZNJEFJS-MRXNPFEDSA-N 2 0 353.511 -0.271 20 0 FBADRP O=C(N[C@H]1CCCC[NH2+]C1)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000642928924 483885486 /nfs/dbraw/zinc/88/54/86/483885486.db2.gz RELVPRQYJLPUKG-INIZCTEOSA-N 2 0 352.479 -0.185 20 0 FBADRP O=C(N[C@@H]1CCCC[NH2+]C1)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000642928925 483885575 /nfs/dbraw/zinc/88/55/75/483885575.db2.gz RELVPRQYJLPUKG-MRXNPFEDSA-N 2 0 352.479 -0.185 20 0 FBADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000642929573 483888742 /nfs/dbraw/zinc/88/87/42/483888742.db2.gz DGNNPMWIRCGORY-HNNXBMFYSA-N 2 0 365.478 -0.989 20 0 FBADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000642929574 483888709 /nfs/dbraw/zinc/88/87/09/483888709.db2.gz DGNNPMWIRCGORY-OAHLLOKOSA-N 2 0 365.478 -0.989 20 0 FBADRP CN(C(=O)C(=O)N[C@H]1CCCC[NH2+]C1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000642929601 483888844 /nfs/dbraw/zinc/88/88/44/483888844.db2.gz GUVIPDOGKDZNTB-DOTOQJQBSA-N 2 0 365.522 -0.128 20 0 FBADRP CN(C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000642929602 483888898 /nfs/dbraw/zinc/88/88/98/483888898.db2.gz GUVIPDOGKDZNTB-NVXWUHKLSA-N 2 0 365.522 -0.128 20 0 FBADRP CN(C(=O)C(=O)N[C@H]1CCCC[NH2+]C1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000642929603 483888787 /nfs/dbraw/zinc/88/87/87/483888787.db2.gz GUVIPDOGKDZNTB-RDJZCZTQSA-N 2 0 365.522 -0.128 20 0 FBADRP CN(C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000642929604 483888764 /nfs/dbraw/zinc/88/87/64/483888764.db2.gz GUVIPDOGKDZNTB-WBVHZDCISA-N 2 0 365.522 -0.128 20 0 FBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@@H]3CCCC[NH2+]C3)CC2)C1 ZINC000642929769 483888889 /nfs/dbraw/zinc/88/88/89/483888889.db2.gz GRKUCSFPWCEFII-CVEARBPZSA-N 2 0 351.495 -0.517 20 0 FBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@H]3CCCC[NH2+]C3)CC2)C1 ZINC000642929770 483888657 /nfs/dbraw/zinc/88/86/57/483888657.db2.gz GRKUCSFPWCEFII-HOTGVXAUSA-N 2 0 351.495 -0.517 20 0 FBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N[C@@H]3CCCC[NH2+]C3)CC2)C1 ZINC000642929771 483888880 /nfs/dbraw/zinc/88/88/80/483888880.db2.gz GRKUCSFPWCEFII-HZPDHXFCSA-N 2 0 351.495 -0.517 20 0 FBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N[C@H]3CCCC[NH2+]C3)CC2)C1 ZINC000642929772 483888920 /nfs/dbraw/zinc/88/89/20/483888920.db2.gz GRKUCSFPWCEFII-JKSUJKDBSA-N 2 0 351.495 -0.517 20 0 FBADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000642941826 484017793 /nfs/dbraw/zinc/01/77/93/484017793.db2.gz YFMWMFGRCUNTMS-CVEARBPZSA-N 2 0 353.511 -0.286 20 0 FBADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000642941827 484016617 /nfs/dbraw/zinc/01/66/17/484016617.db2.gz YFMWMFGRCUNTMS-HOTGVXAUSA-N 2 0 353.511 -0.286 20 0 FBADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000642941828 484017879 /nfs/dbraw/zinc/01/78/79/484017879.db2.gz YFMWMFGRCUNTMS-HZPDHXFCSA-N 2 0 353.511 -0.286 20 0 FBADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000642941829 484017048 /nfs/dbraw/zinc/01/70/48/484017048.db2.gz YFMWMFGRCUNTMS-JKSUJKDBSA-N 2 0 353.511 -0.286 20 0 FBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@H]3CCCC[C@@H]3C[NH3+])CC2)C1 ZINC000642957020 484249095 /nfs/dbraw/zinc/24/90/95/484249095.db2.gz MVHIYYOHZVMHPT-IKGGRYGDSA-N 2 0 365.522 -0.142 20 0 FBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@@H]3CCCC[C@@H]3C[NH3+])CC2)C1 ZINC000642957021 484250174 /nfs/dbraw/zinc/25/01/74/484250174.db2.gz MVHIYYOHZVMHPT-IXDOHACOSA-N 2 0 365.522 -0.142 20 0 FBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@H]3CCCC[C@H]3C[NH3+])CC2)C1 ZINC000642957022 484250122 /nfs/dbraw/zinc/25/01/22/484250122.db2.gz MVHIYYOHZVMHPT-ULQDDVLXSA-N 2 0 365.522 -0.142 20 0 FBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@@H]3CCCC[C@H]3C[NH3+])CC2)C1 ZINC000642957023 484249606 /nfs/dbraw/zinc/24/96/06/484249606.db2.gz MVHIYYOHZVMHPT-YESZJQIVSA-N 2 0 365.522 -0.142 20 0 FBADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000642958946 484341663 /nfs/dbraw/zinc/34/16/63/484341663.db2.gz SANUJZLLJGCHQQ-DZGCQCFKSA-N 2 0 361.446 -0.041 20 0 FBADRP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000642958947 484341028 /nfs/dbraw/zinc/34/10/28/484341028.db2.gz SANUJZLLJGCHQQ-HIFRSBDPSA-N 2 0 361.446 -0.041 20 0 FBADRP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000642958948 484341524 /nfs/dbraw/zinc/34/15/24/484341524.db2.gz SANUJZLLJGCHQQ-UKRRQHHQSA-N 2 0 361.446 -0.041 20 0 FBADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000642958949 484341410 /nfs/dbraw/zinc/34/14/10/484341410.db2.gz SANUJZLLJGCHQQ-ZFWWWQNUSA-N 2 0 361.446 -0.041 20 0 FBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@H](C[NH3+])C3CCCC3)CC2)C1 ZINC000642969249 484404619 /nfs/dbraw/zinc/40/46/19/484404619.db2.gz JYUDYKJDHMHVAJ-DLBZAZTESA-N 2 0 365.522 -0.142 20 0 FBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N[C@H](C[NH3+])C3CCCC3)CC2)C1 ZINC000642969250 484404775 /nfs/dbraw/zinc/40/47/75/484404775.db2.gz JYUDYKJDHMHVAJ-IAGOWNOFSA-N 2 0 365.522 -0.142 20 0 FBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@@H](C[NH3+])C3CCCC3)CC2)C1 ZINC000642969251 484404290 /nfs/dbraw/zinc/40/42/90/484404290.db2.gz JYUDYKJDHMHVAJ-IRXDYDNUSA-N 2 0 365.522 -0.142 20 0 FBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N[C@@H](C[NH3+])C3CCCC3)CC2)C1 ZINC000642969252 484404643 /nfs/dbraw/zinc/40/46/43/484404643.db2.gz JYUDYKJDHMHVAJ-SJORKVTESA-N 2 0 365.522 -0.142 20 0 FBADRP CCC([NH3+])(CC)CNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000642975100 484404923 /nfs/dbraw/zinc/40/49/23/484404923.db2.gz GEJMRMODRMEZSN-HNNXBMFYSA-N 2 0 353.511 -0.142 20 0 FBADRP CCC([NH3+])(CC)CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000642975101 484405059 /nfs/dbraw/zinc/40/50/59/484405059.db2.gz GEJMRMODRMEZSN-OAHLLOKOSA-N 2 0 353.511 -0.142 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]CC2)CC1 ZINC000642980035 484406540 /nfs/dbraw/zinc/40/65/40/484406540.db2.gz WFWXIMQUZFUEJI-HNNXBMFYSA-N 2 0 367.494 -0.743 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]CC2)CC1 ZINC000642980036 484406969 /nfs/dbraw/zinc/40/69/69/484406969.db2.gz WFWXIMQUZFUEJI-OAHLLOKOSA-N 2 0 367.494 -0.743 20 0 FBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]CC2)CC1 ZINC000642980824 484405962 /nfs/dbraw/zinc/40/59/62/484405962.db2.gz MMLICSKKLOZIRH-AWEZNQCLSA-N 2 0 361.446 -0.003 20 0 FBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]CC2)CC1 ZINC000642980825 484407144 /nfs/dbraw/zinc/40/71/44/484407144.db2.gz MMLICSKKLOZIRH-CQSZACIVSA-N 2 0 361.446 -0.003 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@H]3CCC[NH2+]CC3)CC2)c1 ZINC000642981127 484406348 /nfs/dbraw/zinc/40/63/48/484406348.db2.gz UPYYZTLUEGMIJL-AWEZNQCLSA-N 2 0 361.446 -0.003 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H]3CCC[NH2+]CC3)CC2)c1 ZINC000642981128 484406023 /nfs/dbraw/zinc/40/60/23/484406023.db2.gz UPYYZTLUEGMIJL-CQSZACIVSA-N 2 0 361.446 -0.003 20 0 FBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]CC2)CC1 ZINC000642981904 484406774 /nfs/dbraw/zinc/40/67/74/484406774.db2.gz LAIQOMUDLRCFHD-DLBZAZTESA-N 2 0 365.522 -0.127 20 0 FBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]CC2)CC1 ZINC000642981905 484406788 /nfs/dbraw/zinc/40/67/88/484406788.db2.gz LAIQOMUDLRCFHD-IAGOWNOFSA-N 2 0 365.522 -0.127 20 0 FBADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]CC2)CC1 ZINC000642981906 484406112 /nfs/dbraw/zinc/40/61/12/484406112.db2.gz LAIQOMUDLRCFHD-IRXDYDNUSA-N 2 0 365.522 -0.127 20 0 FBADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]CC2)CC1 ZINC000642981907 484406683 /nfs/dbraw/zinc/40/66/83/484406683.db2.gz LAIQOMUDLRCFHD-SJORKVTESA-N 2 0 365.522 -0.127 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000642982723 484406713 /nfs/dbraw/zinc/40/67/13/484406713.db2.gz PAAYHNGADYMFSD-UHFFFAOYSA-N 3 0 361.490 -0.142 20 0 FBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000642987645 484406747 /nfs/dbraw/zinc/40/67/47/484406747.db2.gz ZPESGOREWVFSHN-BZUAXINKSA-N 2 0 351.495 -0.661 20 0 FBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000642987646 484406267 /nfs/dbraw/zinc/40/62/67/484406267.db2.gz ZPESGOREWVFSHN-OAGGEKHMSA-N 2 0 351.495 -0.661 20 0 FBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000642987647 484407130 /nfs/dbraw/zinc/40/71/30/484407130.db2.gz ZPESGOREWVFSHN-OWCLPIDISA-N 2 0 351.495 -0.661 20 0 FBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000642987648 484406509 /nfs/dbraw/zinc/40/65/09/484406509.db2.gz ZPESGOREWVFSHN-PMPSAXMXSA-N 2 0 351.495 -0.661 20 0 FBADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000642988249 484406410 /nfs/dbraw/zinc/40/64/10/484406410.db2.gz PTZQKANZOIQBBJ-CVEARBPZSA-N 2 0 353.511 -0.142 20 0 FBADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000642988250 484406623 /nfs/dbraw/zinc/40/66/23/484406623.db2.gz PTZQKANZOIQBBJ-HOTGVXAUSA-N 2 0 353.511 -0.142 20 0 FBADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000642988251 484406717 /nfs/dbraw/zinc/40/67/17/484406717.db2.gz PTZQKANZOIQBBJ-HZPDHXFCSA-N 2 0 353.511 -0.142 20 0 FBADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000642988252 484406305 /nfs/dbraw/zinc/40/63/05/484406305.db2.gz PTZQKANZOIQBBJ-JKSUJKDBSA-N 2 0 353.511 -0.142 20 0 FBADRP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000642990433 484407056 /nfs/dbraw/zinc/40/70/56/484407056.db2.gz DPEFJLAZFKECDP-CABCVRRESA-N 2 0 365.478 -0.990 20 0 FBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000642990434 484406952 /nfs/dbraw/zinc/40/69/52/484406952.db2.gz DPEFJLAZFKECDP-GJZGRUSLSA-N 2 0 365.478 -0.990 20 0 FBADRP C[C@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000642990435 484405988 /nfs/dbraw/zinc/40/59/88/484405988.db2.gz DPEFJLAZFKECDP-HUUCEWRRSA-N 2 0 365.478 -0.990 20 0 FBADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000642990436 484406871 /nfs/dbraw/zinc/40/68/71/484406871.db2.gz DPEFJLAZFKECDP-LSDHHAIUSA-N 2 0 365.478 -0.990 20 0 FBADRP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000643003629 484407622 /nfs/dbraw/zinc/40/76/22/484407622.db2.gz GOQCNIRDVWZFTA-NEPJUHHUSA-N 2 0 365.400 -0.851 20 0 FBADRP C[N@@H+]1CCC[C@H](NC(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000643003630 484407569 /nfs/dbraw/zinc/40/75/69/484407569.db2.gz GOQCNIRDVWZFTA-NWDGAFQWSA-N 2 0 365.400 -0.851 20 0 FBADRP C[N@@H+]1CCC[C@H](NC(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000643003631 484408360 /nfs/dbraw/zinc/40/83/60/484408360.db2.gz GOQCNIRDVWZFTA-RYUDHWBXSA-N 2 0 365.400 -0.851 20 0 FBADRP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000643003632 484408304 /nfs/dbraw/zinc/40/83/04/484408304.db2.gz GOQCNIRDVWZFTA-VXGBXAGGSA-N 2 0 365.400 -0.851 20 0 FBADRP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000643012080 484407911 /nfs/dbraw/zinc/40/79/11/484407911.db2.gz HZGNLMAOWOREMD-DLBZAZTESA-N 2 0 360.458 -0.176 20 0 FBADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000643012081 484407877 /nfs/dbraw/zinc/40/78/77/484407877.db2.gz HZGNLMAOWOREMD-IAGOWNOFSA-N 2 0 360.458 -0.176 20 0 FBADRP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000643012082 484407934 /nfs/dbraw/zinc/40/79/34/484407934.db2.gz HZGNLMAOWOREMD-IRXDYDNUSA-N 2 0 360.458 -0.176 20 0 FBADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000643012083 484407826 /nfs/dbraw/zinc/40/78/26/484407826.db2.gz HZGNLMAOWOREMD-SJORKVTESA-N 2 0 360.458 -0.176 20 0 FBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000643372150 484290843 /nfs/dbraw/zinc/29/08/43/484290843.db2.gz YJGNRRMCJFMLSB-DLBZAZTESA-N 2 0 365.522 -0.223 20 0 FBADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000643372151 484290907 /nfs/dbraw/zinc/29/09/07/484290907.db2.gz YJGNRRMCJFMLSB-IAGOWNOFSA-N 2 0 365.522 -0.223 20 0 FBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000643372152 484290684 /nfs/dbraw/zinc/29/06/84/484290684.db2.gz YJGNRRMCJFMLSB-IRXDYDNUSA-N 2 0 365.522 -0.223 20 0 FBADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000643372153 484290813 /nfs/dbraw/zinc/29/08/13/484290813.db2.gz YJGNRRMCJFMLSB-SJORKVTESA-N 2 0 365.522 -0.223 20 0 FBADRP C[C@@H]1CCN(C(=O)C(=O)N2CCN(C[C@H]3CCCO3)CC2)C[C@H]1C[NH3+] ZINC000643476604 484646938 /nfs/dbraw/zinc/64/69/38/484646938.db2.gz AIBJKXPQAPFQPJ-BZUAXINKSA-N 2 0 352.479 -0.247 20 0 FBADRP C[C@@H]1CCN(C(=O)C(=O)N2CCN(C[C@@H]3CCCO3)CC2)C[C@H]1C[NH3+] ZINC000643476605 484646176 /nfs/dbraw/zinc/64/61/76/484646176.db2.gz AIBJKXPQAPFQPJ-OAGGEKHMSA-N 2 0 352.479 -0.247 20 0 FBADRP C[C@@H]1CCN(C(=O)C(=O)N2CCN(C[C@H]3CCCO3)CC2)C[C@@H]1C[NH3+] ZINC000643476606 484646385 /nfs/dbraw/zinc/64/63/85/484646385.db2.gz AIBJKXPQAPFQPJ-OWCLPIDISA-N 2 0 352.479 -0.247 20 0 FBADRP C[C@@H]1CCN(C(=O)C(=O)N2CCN(C[C@@H]3CCCO3)CC2)C[C@@H]1C[NH3+] ZINC000643476607 484646916 /nfs/dbraw/zinc/64/69/16/484646916.db2.gz AIBJKXPQAPFQPJ-PMPSAXMXSA-N 2 0 352.479 -0.247 20 0 FBADRP [NH3+]CC[C@H]1CCCN(C(=O)C(=O)N2CCN(C[C@@H]3CCCO3)CC2)C1 ZINC000643476628 484646304 /nfs/dbraw/zinc/64/63/04/484646304.db2.gz CLBVMVGMEHMCCF-CVEARBPZSA-N 2 0 352.479 -0.103 20 0 FBADRP [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N2CCN(C[C@@H]3CCCO3)CC2)C1 ZINC000643476629 484646495 /nfs/dbraw/zinc/64/64/95/484646495.db2.gz CLBVMVGMEHMCCF-HOTGVXAUSA-N 2 0 352.479 -0.103 20 0 FBADRP [NH3+]CC[C@H]1CCCN(C(=O)C(=O)N2CCN(C[C@H]3CCCO3)CC2)C1 ZINC000643476630 484646239 /nfs/dbraw/zinc/64/62/39/484646239.db2.gz CLBVMVGMEHMCCF-HZPDHXFCSA-N 2 0 352.479 -0.103 20 0 FBADRP [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N2CCN(C[C@H]3CCCO3)CC2)C1 ZINC000643476631 484646932 /nfs/dbraw/zinc/64/69/32/484646932.db2.gz CLBVMVGMEHMCCF-JKSUJKDBSA-N 2 0 352.479 -0.103 20 0 FBADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N3CCN(C[C@@H]4CCCO4)CC3)C[C@@H]21 ZINC000643476652 484646223 /nfs/dbraw/zinc/64/62/23/484646223.db2.gz FQILXIRSZPLAFE-LTIDMASMSA-N 2 0 364.490 -0.105 20 0 FBADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N3CCN(C[C@H]4CCCO4)CC3)C[C@H]21 ZINC000643476653 484646861 /nfs/dbraw/zinc/64/68/61/484646861.db2.gz FQILXIRSZPLAFE-QBPKDAKJSA-N 2 0 364.490 -0.105 20 0 FBADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N3CCN(C[C@H]4CCCO4)CC3)C[C@@H]21 ZINC000643476654 484646189 /nfs/dbraw/zinc/64/61/89/484646189.db2.gz FQILXIRSZPLAFE-WCXIOVBPSA-N 2 0 364.490 -0.105 20 0 FBADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N3CCN(C[C@@H]4CCCO4)CC3)C[C@H]21 ZINC000643476655 484646274 /nfs/dbraw/zinc/64/62/74/484646274.db2.gz FQILXIRSZPLAFE-YYIAUSFCSA-N 2 0 364.490 -0.105 20 0 FBADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CCN(C[C@H]3CCCO3)CC2)C1 ZINC000643476658 484646287 /nfs/dbraw/zinc/64/62/87/484646287.db2.gz GOFQZPWXONCKQA-ARFHVFGLSA-N 2 0 352.479 -0.105 20 0 FBADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CCN(C[C@H]3CCCO3)CC2)C1 ZINC000643476659 484647083 /nfs/dbraw/zinc/64/70/83/484647083.db2.gz GOFQZPWXONCKQA-HRCADAONSA-N 2 0 352.479 -0.105 20 0 FBADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CCN(C[C@@H]3CCCO3)CC2)C1 ZINC000643476660 484646725 /nfs/dbraw/zinc/64/67/25/484646725.db2.gz GOFQZPWXONCKQA-JYJNAYRXSA-N 2 0 352.479 -0.105 20 0 FBADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CCN(C[C@@H]3CCCO3)CC2)C1 ZINC000643476661 484646834 /nfs/dbraw/zinc/64/68/34/484646834.db2.gz GOFQZPWXONCKQA-XHSDSOJGSA-N 2 0 352.479 -0.105 20 0 FBADRP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N2CCN(C[C@H]3CCCO3)CC2)CC1 ZINC000643476680 484646208 /nfs/dbraw/zinc/64/62/08/484646208.db2.gz JMISQUNAFLQOPA-GDBMZVCRSA-N 2 0 352.479 -0.105 20 0 FBADRP C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2CCN(C[C@H]3CCCO3)CC2)CC1 ZINC000643476681 484647151 /nfs/dbraw/zinc/64/71/51/484647151.db2.gz JMISQUNAFLQOPA-GOEBONIOSA-N 2 0 352.479 -0.105 20 0 FBADRP C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2CCN(C[C@@H]3CCCO3)CC2)CC1 ZINC000643476682 484646814 /nfs/dbraw/zinc/64/68/14/484646814.db2.gz JMISQUNAFLQOPA-HOCLYGCPSA-N 2 0 352.479 -0.105 20 0 FBADRP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N2CCN(C[C@@H]3CCCO3)CC2)CC1 ZINC000643476683 484646924 /nfs/dbraw/zinc/64/69/24/484646924.db2.gz JMISQUNAFLQOPA-ZBFHGGJFSA-N 2 0 352.479 -0.105 20 0 FBADRP O=C(C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)N1CCN(C[C@H]2CCCO2)CC1 ZINC000643476692 484647036 /nfs/dbraw/zinc/64/70/36/484647036.db2.gz KIHPPYOXCYUAED-ARFHVFGLSA-N 2 0 350.463 -0.480 20 0 FBADRP O=C(C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000643476693 484646157 /nfs/dbraw/zinc/64/61/57/484646157.db2.gz KIHPPYOXCYUAED-HRCADAONSA-N 2 0 350.463 -0.480 20 0 FBADRP O=C(C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000643476694 484646894 /nfs/dbraw/zinc/64/68/94/484646894.db2.gz KIHPPYOXCYUAED-JYJNAYRXSA-N 2 0 350.463 -0.480 20 0 FBADRP O=C(C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)N1CCN(C[C@H]2CCCO2)CC1 ZINC000643476695 484646617 /nfs/dbraw/zinc/64/66/17/484646617.db2.gz KIHPPYOXCYUAED-XHSDSOJGSA-N 2 0 350.463 -0.480 20 0 FBADRP CC[C@@H]1CN(C(=O)C(=O)N2CCN(C[C@H]3CCCO3)CC2)CC[C@@H]1[NH3+] ZINC000643476794 484646752 /nfs/dbraw/zinc/64/67/52/484646752.db2.gz WWTBADGIDYNSTC-OAGGEKHMSA-N 2 0 352.479 -0.105 20 0 FBADRP CC[C@@H]1CN(C(=O)C(=O)N2CCN(C[C@@H]3CCCO3)CC2)CC[C@H]1[NH3+] ZINC000643476795 484647099 /nfs/dbraw/zinc/64/70/99/484647099.db2.gz WWTBADGIDYNSTC-OWCLPIDISA-N 2 0 352.479 -0.105 20 0 FBADRP CC[C@@H]1CN(C(=O)C(=O)N2CCN(C[C@@H]3CCCO3)CC2)CC[C@@H]1[NH3+] ZINC000643476796 484647028 /nfs/dbraw/zinc/64/70/28/484647028.db2.gz WWTBADGIDYNSTC-PMPSAXMXSA-N 2 0 352.479 -0.105 20 0 FBADRP O=C(C(=O)N1CCN(c2cc[nH+]cc2)CC1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000643478935 484678229 /nfs/dbraw/zinc/67/82/29/484678229.db2.gz SEVMREBRYVMDTM-KRWDZBQOSA-N 2 0 372.473 -0.764 20 0 FBADRP O=C(C(=O)N1CCN(c2cc[nH+]cc2)CC1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000643478936 484678426 /nfs/dbraw/zinc/67/84/26/484678426.db2.gz SEVMREBRYVMDTM-QGZVFWFLSA-N 2 0 372.473 -0.764 20 0 FBADRP O=C(C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000643478946 484678011 /nfs/dbraw/zinc/67/80/11/484678011.db2.gz UJPLWWYCRNIEJZ-KRWDZBQOSA-N 2 0 372.473 -0.764 20 0 FBADRP O=C(C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000643478947 484677637 /nfs/dbraw/zinc/67/76/37/484677637.db2.gz UJPLWWYCRNIEJZ-QGZVFWFLSA-N 2 0 372.473 -0.764 20 0 FBADRP O=C(C(=O)N1CC[NH+](C2CCCC2)CC1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000643483273 484894752 /nfs/dbraw/zinc/89/47/52/484894752.db2.gz FBRHUFHYGPHYSQ-KRWDZBQOSA-N 2 0 363.506 -0.421 20 0 FBADRP O=C(C(=O)N1CC[NH+](C2CCCC2)CC1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000643483274 484895267 /nfs/dbraw/zinc/89/52/67/484895267.db2.gz FBRHUFHYGPHYSQ-QGZVFWFLSA-N 2 0 363.506 -0.421 20 0 FBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)CCO1 ZINC000643486719 484939181 /nfs/dbraw/zinc/93/91/81/484939181.db2.gz GDZNVRNYXSROKE-GDBMZVCRSA-N 2 0 352.479 -0.105 20 0 FBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)CCO1 ZINC000643486720 484938668 /nfs/dbraw/zinc/93/86/68/484938668.db2.gz GDZNVRNYXSROKE-GOEBONIOSA-N 2 0 352.479 -0.105 20 0 FBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)CCO1 ZINC000643486721 484938627 /nfs/dbraw/zinc/93/86/27/484938627.db2.gz GDZNVRNYXSROKE-HOCLYGCPSA-N 2 0 352.479 -0.105 20 0 FBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)CCO1 ZINC000643486722 484938661 /nfs/dbraw/zinc/93/86/61/484938661.db2.gz GDZNVRNYXSROKE-ZBFHGGJFSA-N 2 0 352.479 -0.105 20 0 FBADRP O=C(C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000643486764 484938738 /nfs/dbraw/zinc/93/87/38/484938738.db2.gz WYRPTUCXSDDMJN-CALCHBBNSA-N 2 0 364.490 -0.090 20 0 FBADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000643489743 485142384 /nfs/dbraw/zinc/14/23/84/485142384.db2.gz BVOAIGBQMOCWAM-CVEARBPZSA-N 2 0 351.495 -0.707 20 0 FBADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000643489744 485142883 /nfs/dbraw/zinc/14/28/83/485142883.db2.gz BVOAIGBQMOCWAM-HOTGVXAUSA-N 2 0 351.495 -0.707 20 0 FBADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000643489745 485142328 /nfs/dbraw/zinc/14/23/28/485142328.db2.gz BVOAIGBQMOCWAM-HZPDHXFCSA-N 2 0 351.495 -0.707 20 0 FBADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000643489746 485142737 /nfs/dbraw/zinc/14/27/37/485142737.db2.gz BVOAIGBQMOCWAM-JKSUJKDBSA-N 2 0 351.495 -0.707 20 0 FBADRP CC(C)[C@H]1CN(C(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)CC[NH2+]1 ZINC000643490548 485144722 /nfs/dbraw/zinc/14/47/22/485144722.db2.gz WKAMWGZQGBNNJX-QGZVFWFLSA-N 2 0 367.538 -0.073 20 0 FBADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CC1 ZINC000643500345 485289543 /nfs/dbraw/zinc/28/95/43/485289543.db2.gz HTGHXPWVXZTYRQ-INIZCTEOSA-N 2 0 351.495 -0.565 20 0 FBADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CC1 ZINC000643500346 485289293 /nfs/dbraw/zinc/28/92/93/485289293.db2.gz HTGHXPWVXZTYRQ-MRXNPFEDSA-N 2 0 351.495 -0.565 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)C[C@@H]1[NH3+] ZINC000643501366 485292496 /nfs/dbraw/zinc/29/24/96/485292496.db2.gz FBPUBMVFDQKDTO-NCOADZHNSA-N 2 0 365.522 -0.191 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)C[C@H]1[NH3+] ZINC000643501367 485292518 /nfs/dbraw/zinc/29/25/18/485292518.db2.gz FBPUBMVFDQKDTO-QBPKDAKJSA-N 2 0 365.522 -0.191 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)C[C@@H]1[NH3+] ZINC000643501368 485292631 /nfs/dbraw/zinc/29/26/31/485292631.db2.gz FBPUBMVFDQKDTO-VQHPVUNQSA-N 2 0 365.522 -0.191 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)C[C@H]1[NH3+] ZINC000643501369 485292531 /nfs/dbraw/zinc/29/25/31/485292531.db2.gz FBPUBMVFDQKDTO-WCXIOVBPSA-N 2 0 365.522 -0.191 20 0 FBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)CCO1 ZINC000643502768 485294473 /nfs/dbraw/zinc/29/44/73/485294473.db2.gz QFBWIRGKGBSEJT-KKUMJFAQSA-N 2 0 356.467 -0.870 20 0 FBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)CCO1 ZINC000643502769 485294531 /nfs/dbraw/zinc/29/45/31/485294531.db2.gz QFBWIRGKGBSEJT-RRFJBIMHSA-N 2 0 356.467 -0.870 20 0 FBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)CCO1 ZINC000643502770 485294863 /nfs/dbraw/zinc/29/48/63/485294863.db2.gz QFBWIRGKGBSEJT-SOUVJXGZSA-N 2 0 356.467 -0.870 20 0 FBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)CCO1 ZINC000643502771 485294598 /nfs/dbraw/zinc/29/45/98/485294598.db2.gz QFBWIRGKGBSEJT-ZNMIVQPWSA-N 2 0 356.467 -0.870 20 0 FBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643502862 485294574 /nfs/dbraw/zinc/29/45/74/485294574.db2.gz UBZXCVWTYCLKME-HRCADAONSA-N 2 0 352.479 -0.234 20 0 FBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643502863 485294913 /nfs/dbraw/zinc/29/49/13/485294913.db2.gz UBZXCVWTYCLKME-JYJNAYRXSA-N 2 0 352.479 -0.234 20 0 FBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643502864 485294315 /nfs/dbraw/zinc/29/43/15/485294315.db2.gz UBZXCVWTYCLKME-OWCLPIDISA-N 2 0 352.479 -0.234 20 0 FBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643502865 485294456 /nfs/dbraw/zinc/29/44/56/485294456.db2.gz UBZXCVWTYCLKME-PMPSAXMXSA-N 2 0 352.479 -0.234 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000643509526 485318116 /nfs/dbraw/zinc/31/81/16/485318116.db2.gz IPFUPXJSCRUZRU-UHFFFAOYSA-N 3 0 367.538 -0.071 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC(C)([NH3+])CC2)CC1 ZINC000643509701 485319675 /nfs/dbraw/zinc/31/96/75/485319675.db2.gz LHQLLBBCKWNXJC-UHFFFAOYSA-N 2 0 367.494 -0.661 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@]4(CC[NH2+]C4)C3)CC2)c1 ZINC000643510488 485336981 /nfs/dbraw/zinc/33/69/81/485336981.db2.gz ONFFROXELSIBGA-IBGZPJMESA-N 2 0 373.457 -0.049 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@@]4(CC[NH2+]C4)C3)CC2)c1 ZINC000643510489 485337470 /nfs/dbraw/zinc/33/74/70/485337470.db2.gz ONFFROXELSIBGA-LJQANCHMSA-N 2 0 373.457 -0.049 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@H]4[NH2+]CC[C@@H]4C3)CC2)c1 ZINC000643510501 485337020 /nfs/dbraw/zinc/33/70/20/485337020.db2.gz XTXBSMJZOXYDLK-GDBMZVCRSA-N 2 0 373.457 -0.051 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@H]4[NH2+]CC[C@H]4C3)CC2)c1 ZINC000643510502 485336806 /nfs/dbraw/zinc/33/68/06/485336806.db2.gz XTXBSMJZOXYDLK-GOEBONIOSA-N 2 0 373.457 -0.051 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@@H]4[NH2+]CC[C@H]4C3)CC2)c1 ZINC000643510503 485337197 /nfs/dbraw/zinc/33/71/97/485337197.db2.gz XTXBSMJZOXYDLK-HOCLYGCPSA-N 2 0 373.457 -0.051 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@@H]4[NH2+]CC[C@@H]4C3)CC2)c1 ZINC000643510504 485336816 /nfs/dbraw/zinc/33/68/16/485336816.db2.gz XTXBSMJZOXYDLK-ZBFHGGJFSA-N 2 0 373.457 -0.051 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@H]4CC[NH2+][C@@H]4C3)CC2)c1 ZINC000643510511 485337432 /nfs/dbraw/zinc/33/74/32/485337432.db2.gz ZEBHSDOHABUHKQ-GDBMZVCRSA-N 2 0 373.457 -0.051 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@@H]4CC[NH2+][C@@H]4C3)CC2)c1 ZINC000643510512 485336941 /nfs/dbraw/zinc/33/69/41/485336941.db2.gz ZEBHSDOHABUHKQ-GOEBONIOSA-N 2 0 373.457 -0.051 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@@H]4CC[NH2+][C@H]4C3)CC2)c1 ZINC000643510513 485337128 /nfs/dbraw/zinc/33/71/28/485337128.db2.gz ZEBHSDOHABUHKQ-HOCLYGCPSA-N 2 0 373.457 -0.051 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@H]4CC[NH2+][C@H]4C3)CC2)c1 ZINC000643510514 485337405 /nfs/dbraw/zinc/33/74/05/485337405.db2.gz ZEBHSDOHABUHKQ-ZBFHGGJFSA-N 2 0 373.457 -0.051 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C[C@@H](C)[NH2+]1 ZINC000643510677 485339485 /nfs/dbraw/zinc/33/94/85/485339485.db2.gz OACXJZVNBXUWHQ-BFYDXBDKSA-N 2 0 365.522 -0.178 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C[C@H](C)[NH2+]1 ZINC000643510678 485339819 /nfs/dbraw/zinc/33/98/19/485339819.db2.gz OACXJZVNBXUWHQ-HLLBOEOZSA-N 2 0 365.522 -0.178 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)C[C@@H](C)[NH2+]1 ZINC000643510679 485340001 /nfs/dbraw/zinc/34/00/01/485340001.db2.gz OACXJZVNBXUWHQ-INMHGKMJSA-N 2 0 365.522 -0.178 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)C[C@H](C)[NH2+]1 ZINC000643510680 485339851 /nfs/dbraw/zinc/33/98/51/485339851.db2.gz OACXJZVNBXUWHQ-UXLLHSPISA-N 2 0 365.522 -0.178 20 0 FBADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000643511219 485341313 /nfs/dbraw/zinc/34/13/13/485341313.db2.gz TUHQBQUAOOCCRA-CABCVRRESA-N 2 0 358.483 -0.622 20 0 FBADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000643511220 485340991 /nfs/dbraw/zinc/34/09/91/485340991.db2.gz TUHQBQUAOOCCRA-GJZGRUSLSA-N 2 0 358.483 -0.622 20 0 FBADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000643511221 485341037 /nfs/dbraw/zinc/34/10/37/485341037.db2.gz TUHQBQUAOOCCRA-HUUCEWRRSA-N 2 0 358.483 -0.622 20 0 FBADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000643511222 485340961 /nfs/dbraw/zinc/34/09/61/485340961.db2.gz TUHQBQUAOOCCRA-LSDHHAIUSA-N 2 0 358.483 -0.622 20 0 FBADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N2CCC(C)([NH3+])CC2)CC1 ZINC000643511863 485346601 /nfs/dbraw/zinc/34/66/01/485346601.db2.gz FBRXXDTZUHVGPR-INIZCTEOSA-N 2 0 365.522 -0.045 20 0 FBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N2CCC(C)([NH3+])CC2)CC1 ZINC000643511864 485346492 /nfs/dbraw/zinc/34/64/92/485346492.db2.gz FBRXXDTZUHVGPR-MRXNPFEDSA-N 2 0 365.522 -0.045 20 0 FBADRP C[NH+](C)C[C@H]1CN(C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)CCO1 ZINC000643513191 485354889 /nfs/dbraw/zinc/35/48/89/485354889.db2.gz DNIQWFXMMIGRHM-HNNXBMFYSA-N 2 0 352.479 -0.232 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)CCO1 ZINC000643513192 485354583 /nfs/dbraw/zinc/35/45/83/485354583.db2.gz DNIQWFXMMIGRHM-OAHLLOKOSA-N 2 0 352.479 -0.232 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C[C@@H](C)[NH2+]1 ZINC000643513494 485355382 /nfs/dbraw/zinc/35/53/82/485355382.db2.gz CVVNQGALNDDYQR-BZUAXINKSA-N 2 0 351.495 -0.566 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)C[C@@H](C)[NH2+]1 ZINC000643513495 485355672 /nfs/dbraw/zinc/35/56/72/485355672.db2.gz CVVNQGALNDDYQR-OAGGEKHMSA-N 2 0 351.495 -0.566 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C[C@H](C)[NH2+]1 ZINC000643513496 485355643 /nfs/dbraw/zinc/35/56/43/485355643.db2.gz CVVNQGALNDDYQR-OWCLPIDISA-N 2 0 351.495 -0.566 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)C[C@H](C)[NH2+]1 ZINC000643513497 485355620 /nfs/dbraw/zinc/35/56/20/485355620.db2.gz CVVNQGALNDDYQR-XHSDSOJGSA-N 2 0 351.495 -0.566 20 0 FBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)CC2)C1 ZINC000643513507 485355360 /nfs/dbraw/zinc/35/53/60/485355360.db2.gz FNBMJOJJNCEIKX-BBWFWOEESA-N 2 0 363.506 -0.422 20 0 FBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)CC2)C1 ZINC000643513508 485355322 /nfs/dbraw/zinc/35/53/22/485355322.db2.gz FNBMJOJJNCEIKX-IXDOHACOSA-N 2 0 363.506 -0.422 20 0 FBADRP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000643513511 485355997 /nfs/dbraw/zinc/35/59/97/485355997.db2.gz GGMGOKFZUYJWOE-CVEARBPZSA-N 2 0 351.495 -0.565 20 0 FBADRP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000643513512 485355431 /nfs/dbraw/zinc/35/54/31/485355431.db2.gz GGMGOKFZUYJWOE-HOTGVXAUSA-N 2 0 351.495 -0.565 20 0 FBADRP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000643513513 485356531 /nfs/dbraw/zinc/35/65/31/485356531.db2.gz GGMGOKFZUYJWOE-HZPDHXFCSA-N 2 0 351.495 -0.565 20 0 FBADRP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000643513514 485356185 /nfs/dbraw/zinc/35/61/85/485356185.db2.gz GGMGOKFZUYJWOE-JKSUJKDBSA-N 2 0 351.495 -0.565 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C[C@@]1(C)C[NH3+] ZINC000643513539 485356447 /nfs/dbraw/zinc/35/64/47/485356447.db2.gz LGBKNMSQPLKJPB-GPMSIDNRSA-N 2 0 365.522 -0.332 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)C[C@@]1(C)C[NH3+] ZINC000643513540 485356263 /nfs/dbraw/zinc/35/62/63/485356263.db2.gz LGBKNMSQPLKJPB-JTDSTZFVSA-N 2 0 365.522 -0.332 20 0 FBADRP C[C@@H]1CCN(C(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C[C@H]1C[NH3+] ZINC000643513551 485356128 /nfs/dbraw/zinc/35/61/28/485356128.db2.gz ODICNCCTZVXSGH-BRWVUGGUSA-N 2 0 365.522 -0.332 20 0 FBADRP C[C@@H]1CCN(C(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)C[C@@H]1C[NH3+] ZINC000643513552 485356316 /nfs/dbraw/zinc/35/63/16/485356316.db2.gz ODICNCCTZVXSGH-IKGGRYGDSA-N 2 0 365.522 -0.332 20 0 FBADRP C[C@@H]1CCN(C(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C[C@@H]1C[NH3+] ZINC000643513553 485356160 /nfs/dbraw/zinc/35/61/60/485356160.db2.gz ODICNCCTZVXSGH-IXDOHACOSA-N 2 0 365.522 -0.332 20 0 FBADRP C[C@@H]1CCN(C(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)C[C@H]1C[NH3+] ZINC000643513554 485356280 /nfs/dbraw/zinc/35/62/80/485356280.db2.gz ODICNCCTZVXSGH-ZACQAIPSSA-N 2 0 365.522 -0.332 20 0 FBADRP CC(C)[C@H]1CN(C(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CC[NH2+]1 ZINC000643513627 485356408 /nfs/dbraw/zinc/35/64/08/485356408.db2.gz SIUCPRMBEPMHAZ-DLBZAZTESA-N 2 0 365.522 -0.319 20 0 FBADRP CC(C)[C@H]1CN(C(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CC[NH2+]1 ZINC000643513629 485356553 /nfs/dbraw/zinc/35/65/53/485356553.db2.gz SIUCPRMBEPMHAZ-IAGOWNOFSA-N 2 0 365.522 -0.319 20 0 FBADRP CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000643513658 485356148 /nfs/dbraw/zinc/35/61/48/485356148.db2.gz XGMDDHZFGFDROV-HNNXBMFYSA-N 2 0 353.511 -0.332 20 0 FBADRP CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000643513660 485356075 /nfs/dbraw/zinc/35/60/75/485356075.db2.gz XGMDDHZFGFDROV-OAHLLOKOSA-N 2 0 353.511 -0.332 20 0 FBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CC[C@H]4CC[NH2+][C@H]4C3)CC2)C1 ZINC000643513675 485356300 /nfs/dbraw/zinc/35/63/00/485356300.db2.gz ZVJBDWWRIMFPGD-IKGGRYGDSA-N 2 0 363.506 -0.565 20 0 FBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CC[C@H]4CC[NH2+][C@@H]4C3)CC2)C1 ZINC000643513677 485356249 /nfs/dbraw/zinc/35/62/49/485356249.db2.gz ZVJBDWWRIMFPGD-IXDOHACOSA-N 2 0 363.506 -0.565 20 0 FBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CC[C@@H]4CC[NH2+][C@H]4C3)CC2)C1 ZINC000643513679 485356478 /nfs/dbraw/zinc/35/64/78/485356478.db2.gz ZVJBDWWRIMFPGD-ULQDDVLXSA-N 2 0 363.506 -0.565 20 0 FBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CC[C@@H]4CC[NH2+][C@@H]4C3)CC2)C1 ZINC000643513681 485356499 /nfs/dbraw/zinc/35/64/99/485356499.db2.gz ZVJBDWWRIMFPGD-YESZJQIVSA-N 2 0 363.506 -0.565 20 0 FBADRP CC(C)[C@H]1CN(C(=O)C(=O)N(C)CCCN2CC[NH+](C)CC2)CC[NH2+]1 ZINC000643515161 485362465 /nfs/dbraw/zinc/36/24/65/485362465.db2.gz UHQKUBGPVIZPKU-MRXNPFEDSA-N 2 0 353.511 -0.461 20 0 FBADRP O=C(C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000643515287 485363469 /nfs/dbraw/zinc/36/34/69/485363469.db2.gz CJAVTUJNZZMBCD-DLBZAZTESA-N 2 0 364.490 -0.232 20 0 FBADRP O=C(C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000643515288 485363430 /nfs/dbraw/zinc/36/34/30/485363430.db2.gz CJAVTUJNZZMBCD-IAGOWNOFSA-N 2 0 364.490 -0.232 20 0 FBADRP O=C(C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000643515289 485363399 /nfs/dbraw/zinc/36/33/99/485363399.db2.gz CJAVTUJNZZMBCD-IRXDYDNUSA-N 2 0 364.490 -0.232 20 0 FBADRP O=C(C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000643515290 485363830 /nfs/dbraw/zinc/36/38/30/485363830.db2.gz CJAVTUJNZZMBCD-SJORKVTESA-N 2 0 364.490 -0.232 20 0 FBADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)N3CC[NH+](CC4CCOCC4)CC3)C[C@@H]12 ZINC000643515327 485363894 /nfs/dbraw/zinc/36/38/94/485363894.db2.gz PDXGZMCVYFVTPU-BRWVUGGUSA-N 2 0 364.490 -0.247 20 0 FBADRP [NH3+][C@@H]1CC[C@H]2CN(C(=O)C(=O)N3CC[NH+](CC4CCOCC4)CC3)C[C@@H]12 ZINC000643515328 485363588 /nfs/dbraw/zinc/36/35/88/485363588.db2.gz PDXGZMCVYFVTPU-GVDBMIGSSA-N 2 0 364.490 -0.247 20 0 FBADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)N3CC[NH+](CC4CCOCC4)CC3)C[C@H]12 ZINC000643515329 485363823 /nfs/dbraw/zinc/36/38/23/485363823.db2.gz PDXGZMCVYFVTPU-IXDOHACOSA-N 2 0 364.490 -0.247 20 0 FBADRP [NH3+][C@@H]1CC[C@H]2CN(C(=O)C(=O)N3CC[NH+](CC4CCOCC4)CC3)C[C@H]12 ZINC000643515330 485363618 /nfs/dbraw/zinc/36/36/18/485363618.db2.gz PDXGZMCVYFVTPU-YESZJQIVSA-N 2 0 364.490 -0.247 20 0 FBADRP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)CC[NH2+]1 ZINC000643516557 485367907 /nfs/dbraw/zinc/36/79/07/485367907.db2.gz RYYWSVLONKPXCU-MRXNPFEDSA-N 2 0 354.495 -0.252 20 0 FBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)CCO1 ZINC000643524283 483938582 /nfs/dbraw/zinc/93/85/82/483938582.db2.gz CXZQMKZEACLPMB-DZGCQCFKSA-N 2 0 352.435 -0.256 20 0 FBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)CCO1 ZINC000643524284 483938753 /nfs/dbraw/zinc/93/87/53/483938753.db2.gz CXZQMKZEACLPMB-HIFRSBDPSA-N 2 0 352.435 -0.256 20 0 FBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)CCO1 ZINC000643524285 483938056 /nfs/dbraw/zinc/93/80/56/483938056.db2.gz CXZQMKZEACLPMB-UKRRQHHQSA-N 2 0 352.435 -0.256 20 0 FBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)CCO1 ZINC000643524286 483938526 /nfs/dbraw/zinc/93/85/26/483938526.db2.gz CXZQMKZEACLPMB-ZFWWWQNUSA-N 2 0 352.435 -0.256 20 0 FBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)CC1 ZINC000643527886 483943334 /nfs/dbraw/zinc/94/33/34/483943334.db2.gz URASRADPQDGTEJ-CABCVRRESA-N 2 0 373.457 -0.051 20 0 FBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)CC1 ZINC000643527887 483943212 /nfs/dbraw/zinc/94/32/12/483943212.db2.gz URASRADPQDGTEJ-GJZGRUSLSA-N 2 0 373.457 -0.051 20 0 FBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000643527888 483943716 /nfs/dbraw/zinc/94/37/16/483943716.db2.gz URASRADPQDGTEJ-HUUCEWRRSA-N 2 0 373.457 -0.051 20 0 FBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000643527889 483944111 /nfs/dbraw/zinc/94/41/11/483944111.db2.gz URASRADPQDGTEJ-LSDHHAIUSA-N 2 0 373.457 -0.051 20 0 FBADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643530046 483954074 /nfs/dbraw/zinc/95/40/74/483954074.db2.gz CBPYVSVEIJNSGU-BFYDXBDKSA-N 2 0 364.490 -0.092 20 0 FBADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643530047 483954483 /nfs/dbraw/zinc/95/44/83/483954483.db2.gz CBPYVSVEIJNSGU-HLLBOEOZSA-N 2 0 364.490 -0.092 20 0 FBADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643530048 483954244 /nfs/dbraw/zinc/95/42/44/483954244.db2.gz CBPYVSVEIJNSGU-INMHGKMJSA-N 2 0 364.490 -0.092 20 0 FBADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643530049 483953893 /nfs/dbraw/zinc/95/38/93/483953893.db2.gz CBPYVSVEIJNSGU-UXLLHSPISA-N 2 0 364.490 -0.092 20 0 FBADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643530050 483954796 /nfs/dbraw/zinc/95/47/96/483954796.db2.gz CBPYVSVEIJNSGU-VYDXJSESSA-N 2 0 364.490 -0.092 20 0 FBADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643530051 483954467 /nfs/dbraw/zinc/95/44/67/483954467.db2.gz CBPYVSVEIJNSGU-YQQAZPJKSA-N 2 0 364.490 -0.092 20 0 FBADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643530052 483954613 /nfs/dbraw/zinc/95/46/13/483954613.db2.gz CBPYVSVEIJNSGU-ZMSDIMECSA-N 2 0 364.490 -0.092 20 0 FBADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643530053 483954232 /nfs/dbraw/zinc/95/42/32/483954232.db2.gz CBPYVSVEIJNSGU-ZOBUZTSGSA-N 2 0 364.490 -0.092 20 0 FBADRP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000643531805 483960939 /nfs/dbraw/zinc/96/09/39/483960939.db2.gz MWSDUKNCBRUZTC-DLBZAZTESA-N 2 0 360.458 -0.095 20 0 FBADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000643531806 483960602 /nfs/dbraw/zinc/96/06/02/483960602.db2.gz MWSDUKNCBRUZTC-IAGOWNOFSA-N 2 0 360.458 -0.095 20 0 FBADRP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000643531807 483961212 /nfs/dbraw/zinc/96/12/12/483961212.db2.gz MWSDUKNCBRUZTC-IRXDYDNUSA-N 2 0 360.458 -0.095 20 0 FBADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000643531808 483960536 /nfs/dbraw/zinc/96/05/36/483960536.db2.gz MWSDUKNCBRUZTC-SJORKVTESA-N 2 0 360.458 -0.095 20 0 FBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)C1 ZINC000643539834 483984679 /nfs/dbraw/zinc/98/46/79/483984679.db2.gz ZSIRXSMNDVFDTB-ARFHVFGLSA-N 2 0 370.494 -0.480 20 0 FBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)C1 ZINC000643539835 483983985 /nfs/dbraw/zinc/98/39/85/483983985.db2.gz ZSIRXSMNDVFDTB-BZUAXINKSA-N 2 0 370.494 -0.480 20 0 FBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)C1 ZINC000643539836 483984271 /nfs/dbraw/zinc/98/42/71/483984271.db2.gz ZSIRXSMNDVFDTB-OAGGEKHMSA-N 2 0 370.494 -0.480 20 0 FBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)C1 ZINC000643539837 483984313 /nfs/dbraw/zinc/98/43/13/483984313.db2.gz ZSIRXSMNDVFDTB-XHSDSOJGSA-N 2 0 370.494 -0.480 20 0 FBADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CCO1 ZINC000643549849 483409854 /nfs/dbraw/zinc/40/98/54/483409854.db2.gz WMAUBELXVPZNLN-BMFZPTHFSA-N 2 0 350.463 -0.352 20 0 FBADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CCO1 ZINC000643549850 483409554 /nfs/dbraw/zinc/40/95/54/483409554.db2.gz WMAUBELXVPZNLN-FVQBIDKESA-N 2 0 350.463 -0.352 20 0 FBADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CCO1 ZINC000643549851 483409777 /nfs/dbraw/zinc/40/97/77/483409777.db2.gz WMAUBELXVPZNLN-IMJJTQAJSA-N 2 0 350.463 -0.352 20 0 FBADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CCO1 ZINC000643549852 483410121 /nfs/dbraw/zinc/41/01/21/483410121.db2.gz WMAUBELXVPZNLN-NUEKZKHPSA-N 2 0 350.463 -0.352 20 0 FBADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000643553574 483411738 /nfs/dbraw/zinc/41/17/38/483411738.db2.gz ISADZBGYYHJVFB-CABCVRRESA-N 2 0 367.494 -0.711 20 0 FBADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000643553575 483411641 /nfs/dbraw/zinc/41/16/41/483411641.db2.gz ISADZBGYYHJVFB-GJZGRUSLSA-N 2 0 367.494 -0.711 20 0 FBADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000643553576 483411818 /nfs/dbraw/zinc/41/18/18/483411818.db2.gz ISADZBGYYHJVFB-HUUCEWRRSA-N 2 0 367.494 -0.711 20 0 FBADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000643553577 483411957 /nfs/dbraw/zinc/41/19/57/483411957.db2.gz ISADZBGYYHJVFB-LSDHHAIUSA-N 2 0 367.494 -0.711 20 0 FBADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C1 ZINC000643553820 483411660 /nfs/dbraw/zinc/41/16/60/483411660.db2.gz RPSGXGIHGKQZQM-CVEARBPZSA-N 2 0 351.495 -0.519 20 0 FBADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C1 ZINC000643553821 483411638 /nfs/dbraw/zinc/41/16/38/483411638.db2.gz RPSGXGIHGKQZQM-HOTGVXAUSA-N 2 0 351.495 -0.519 20 0 FBADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000643553822 483411551 /nfs/dbraw/zinc/41/15/51/483411551.db2.gz RPSGXGIHGKQZQM-HZPDHXFCSA-N 2 0 351.495 -0.519 20 0 FBADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000643553823 483411687 /nfs/dbraw/zinc/41/16/87/483411687.db2.gz RPSGXGIHGKQZQM-JKSUJKDBSA-N 2 0 351.495 -0.519 20 0 FBADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC000643553963 483412504 /nfs/dbraw/zinc/41/25/04/483412504.db2.gz YSZDEEPJUBZURE-CVEARBPZSA-N 2 0 351.495 -0.519 20 0 FBADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC000643553964 483412954 /nfs/dbraw/zinc/41/29/54/483412954.db2.gz YSZDEEPJUBZURE-HOTGVXAUSA-N 2 0 351.495 -0.519 20 0 FBADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC000643553966 483412747 /nfs/dbraw/zinc/41/27/47/483412747.db2.gz YSZDEEPJUBZURE-HZPDHXFCSA-N 2 0 351.495 -0.519 20 0 FBADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC000643553967 483412564 /nfs/dbraw/zinc/41/25/64/483412564.db2.gz YSZDEEPJUBZURE-JKSUJKDBSA-N 2 0 351.495 -0.519 20 0 FBADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000643567591 483416743 /nfs/dbraw/zinc/41/67/43/483416743.db2.gz RIUMPDWKPQIDAC-CVEARBPZSA-N 2 0 351.495 -0.565 20 0 FBADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000643567592 483416971 /nfs/dbraw/zinc/41/69/71/483416971.db2.gz RIUMPDWKPQIDAC-HOTGVXAUSA-N 2 0 351.495 -0.565 20 0 FBADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000643567593 483416753 /nfs/dbraw/zinc/41/67/53/483416753.db2.gz RIUMPDWKPQIDAC-HZPDHXFCSA-N 2 0 351.495 -0.565 20 0 FBADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000643567594 483416538 /nfs/dbraw/zinc/41/65/38/483416538.db2.gz RIUMPDWKPQIDAC-JKSUJKDBSA-N 2 0 351.495 -0.565 20 0 FBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CCCC[C@@H]3C[NH3+])CC2)C1 ZINC000643574472 483417614 /nfs/dbraw/zinc/41/76/14/483417614.db2.gz IPQFOLOHMZLBEH-CVEARBPZSA-N 2 0 351.495 -0.435 20 0 FBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CCCC[C@H]3C[NH3+])CC2)C1 ZINC000643574473 483417976 /nfs/dbraw/zinc/41/79/76/483417976.db2.gz IPQFOLOHMZLBEH-HOTGVXAUSA-N 2 0 351.495 -0.435 20 0 FBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CCCC[C@@H]3C[NH3+])CC2)C1 ZINC000643574474 483417648 /nfs/dbraw/zinc/41/76/48/483417648.db2.gz IPQFOLOHMZLBEH-HZPDHXFCSA-N 2 0 351.495 -0.435 20 0 FBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CCCC[C@H]3C[NH3+])CC2)C1 ZINC000643574475 483417936 /nfs/dbraw/zinc/41/79/36/483417936.db2.gz IPQFOLOHMZLBEH-JKSUJKDBSA-N 2 0 351.495 -0.435 20 0 FBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000643576959 483419077 /nfs/dbraw/zinc/41/90/77/483419077.db2.gz SIQSCCFXWARHNI-CVEARBPZSA-N 2 0 369.510 -0.953 20 0 FBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000643576960 483419081 /nfs/dbraw/zinc/41/90/81/483419081.db2.gz SIQSCCFXWARHNI-HOTGVXAUSA-N 2 0 369.510 -0.953 20 0 FBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000643576961 483419096 /nfs/dbraw/zinc/41/90/96/483419096.db2.gz SIQSCCFXWARHNI-HZPDHXFCSA-N 2 0 369.510 -0.953 20 0 FBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000643576962 483418647 /nfs/dbraw/zinc/41/86/47/483418647.db2.gz SIQSCCFXWARHNI-JKSUJKDBSA-N 2 0 369.510 -0.953 20 0 FBADRP CN1CCN(C(=O)C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000643577012 483419091 /nfs/dbraw/zinc/41/90/91/483419091.db2.gz ZBGNGIJTWQAQGY-MSOLQXFVSA-N 2 0 373.501 -0.179 20 0 FBADRP CN1CCN(C(=O)C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000643577013 483419102 /nfs/dbraw/zinc/41/91/02/483419102.db2.gz ZBGNGIJTWQAQGY-QZTJIDSGSA-N 2 0 373.501 -0.179 20 0 FBADRP CN1CCN(C(=O)C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000643577014 483419107 /nfs/dbraw/zinc/41/91/07/483419107.db2.gz ZBGNGIJTWQAQGY-ROUUACIJSA-N 2 0 373.501 -0.179 20 0 FBADRP CN1CCN(C(=O)C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000643577015 483418459 /nfs/dbraw/zinc/41/84/59/483418459.db2.gz ZBGNGIJTWQAQGY-ZWKOTPCHSA-N 2 0 373.501 -0.179 20 0 FBADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N2CCC[NH2+]CC2)CC1 ZINC000643580980 483419821 /nfs/dbraw/zinc/41/98/21/483419821.db2.gz LLNYKDAMWMRWEZ-CALCHBBNSA-N 2 0 365.522 -0.175 20 0 FBADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N2CCC[NH2+]CC2)CC1 ZINC000643580981 483419930 /nfs/dbraw/zinc/41/99/30/483419930.db2.gz LLNYKDAMWMRWEZ-IAGOWNOFSA-N 2 0 365.522 -0.175 20 0 FBADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N2CCC[NH2+]CC2)CC1 ZINC000643580982 483420222 /nfs/dbraw/zinc/42/02/22/483420222.db2.gz LLNYKDAMWMRWEZ-IRXDYDNUSA-N 2 0 365.522 -0.175 20 0 FBADRP CC[C@@H]1CN(C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C)CC[C@@H]1[NH3+] ZINC000643585566 483421054 /nfs/dbraw/zinc/42/10/54/483421054.db2.gz FLUSVCDLGCULRF-CVEARBPZSA-N 2 0 355.527 -0.086 20 0 FBADRP CC[C@H]1CN(C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C)CC[C@@H]1[NH3+] ZINC000643585568 483420748 /nfs/dbraw/zinc/42/07/48/483420748.db2.gz FLUSVCDLGCULRF-HOTGVXAUSA-N 2 0 355.527 -0.086 20 0 FBADRP CC[C@@H]1CN(C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C)CC[C@H]1[NH3+] ZINC000643585570 483420904 /nfs/dbraw/zinc/42/09/04/483420904.db2.gz FLUSVCDLGCULRF-HZPDHXFCSA-N 2 0 355.527 -0.086 20 0 FBADRP CC[C@H]1CN(C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C)CC[C@H]1[NH3+] ZINC000643585571 483420989 /nfs/dbraw/zinc/42/09/89/483420989.db2.gz FLUSVCDLGCULRF-JKSUJKDBSA-N 2 0 355.527 -0.086 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)[C@H](C)C[NH2+]1 ZINC000643585730 483420721 /nfs/dbraw/zinc/42/07/21/483420721.db2.gz NHZLVFRGPLNZNU-BZUAXINKSA-N 2 0 351.495 -0.566 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)[C@H](C)C[NH2+]1 ZINC000643585731 483421651 /nfs/dbraw/zinc/42/16/51/483421651.db2.gz NHZLVFRGPLNZNU-OAGGEKHMSA-N 2 0 351.495 -0.566 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)[C@@H](C)C[NH2+]1 ZINC000643585732 483421536 /nfs/dbraw/zinc/42/15/36/483421536.db2.gz NHZLVFRGPLNZNU-OWCLPIDISA-N 2 0 351.495 -0.566 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)[C@@H](C)C[NH2+]1 ZINC000643585733 483421511 /nfs/dbraw/zinc/42/15/11/483421511.db2.gz NHZLVFRGPLNZNU-PMPSAXMXSA-N 2 0 351.495 -0.566 20 0 FBADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643590287 483422295 /nfs/dbraw/zinc/42/22/95/483422295.db2.gz JYNGYJJFIYHBQN-CVEARBPZSA-N 2 0 353.511 -0.461 20 0 FBADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643590288 483422393 /nfs/dbraw/zinc/42/23/93/483422393.db2.gz JYNGYJJFIYHBQN-HOTGVXAUSA-N 2 0 353.511 -0.461 20 0 FBADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643590289 483422942 /nfs/dbraw/zinc/42/29/42/483422942.db2.gz JYNGYJJFIYHBQN-HZPDHXFCSA-N 2 0 353.511 -0.461 20 0 FBADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643590290 483422083 /nfs/dbraw/zinc/42/20/83/483422083.db2.gz JYNGYJJFIYHBQN-JKSUJKDBSA-N 2 0 353.511 -0.461 20 0 FBADRP CCCN(C(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)[C@H]1CC[NH2+]C1 ZINC000643591227 483423496 /nfs/dbraw/zinc/42/34/96/483423496.db2.gz BFCYLFRWJGREDZ-DLBZAZTESA-N 2 0 365.522 -0.175 20 0 FBADRP CCCN(C(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)[C@@H]1CC[NH2+]C1 ZINC000643591228 483424403 /nfs/dbraw/zinc/42/44/03/483424403.db2.gz BFCYLFRWJGREDZ-IAGOWNOFSA-N 2 0 365.522 -0.175 20 0 FBADRP CCCN(C(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)[C@H]1CC[NH2+]C1 ZINC000643591229 483423949 /nfs/dbraw/zinc/42/39/49/483423949.db2.gz BFCYLFRWJGREDZ-IRXDYDNUSA-N 2 0 365.522 -0.175 20 0 FBADRP CCCN(C(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)[C@@H]1CC[NH2+]C1 ZINC000643591230 483423821 /nfs/dbraw/zinc/42/38/21/483423821.db2.gz BFCYLFRWJGREDZ-SJORKVTESA-N 2 0 365.522 -0.175 20 0 FBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CC[C@H]4CC[C@@H](C3)[NH2+]4)CC2)C1 ZINC000643591579 483425233 /nfs/dbraw/zinc/42/52/33/483425233.db2.gz PGUCGUUXNWIVOP-IKGGRYGDSA-N 2 0 363.506 -0.422 20 0 FBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CC[C@H]4CC[C@@H](C3)[NH2+]4)CC2)C1 ZINC000643591580 483425584 /nfs/dbraw/zinc/42/55/84/483425584.db2.gz PGUCGUUXNWIVOP-IXDOHACOSA-N 2 0 363.506 -0.422 20 0 FBADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000643591835 483425185 /nfs/dbraw/zinc/42/51/85/483425185.db2.gz XYUQUUNWIHNBHJ-BBWFWOEESA-N 2 0 365.522 -0.047 20 0 FBADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000643591836 483425511 /nfs/dbraw/zinc/42/55/11/483425511.db2.gz XYUQUUNWIHNBHJ-GVDBMIGSSA-N 2 0 365.522 -0.047 20 0 FBADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000643591837 483425371 /nfs/dbraw/zinc/42/53/71/483425371.db2.gz XYUQUUNWIHNBHJ-ULQDDVLXSA-N 2 0 365.522 -0.047 20 0 FBADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000643591839 483424735 /nfs/dbraw/zinc/42/47/35/483424735.db2.gz XYUQUUNWIHNBHJ-YESZJQIVSA-N 2 0 365.522 -0.047 20 0 FBADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)C(=O)N(C)[C@H]3C[NH2+]C[C@@H]3O)C2)CC1 ZINC000643592171 483424751 /nfs/dbraw/zinc/42/47/51/483424751.db2.gz IQDBLDBBDAXOBB-IKGGRYGDSA-N 2 0 366.506 -0.252 20 0 FBADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)N(C)[C@H]3C[NH2+]C[C@@H]3O)C2)CC1 ZINC000643592172 483425023 /nfs/dbraw/zinc/42/50/23/483425023.db2.gz IQDBLDBBDAXOBB-ULQDDVLXSA-N 2 0 366.506 -0.252 20 0 FBADRP CC(C)[C@H]1CN(C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C)CC[NH2+]1 ZINC000643592551 483426549 /nfs/dbraw/zinc/42/65/49/483426549.db2.gz ZAIIZRVDXYLRSF-MRXNPFEDSA-N 2 0 355.527 -0.215 20 0 FBADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000643592744 483426782 /nfs/dbraw/zinc/42/67/82/483426782.db2.gz GMOYUCIAKUVEJK-DLBZAZTESA-N 2 0 365.522 -0.175 20 0 FBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000643592747 483426906 /nfs/dbraw/zinc/42/69/06/483426906.db2.gz GMOYUCIAKUVEJK-IAGOWNOFSA-N 2 0 365.522 -0.175 20 0 FBADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000643592749 483426312 /nfs/dbraw/zinc/42/63/12/483426312.db2.gz GMOYUCIAKUVEJK-IRXDYDNUSA-N 2 0 365.522 -0.175 20 0 FBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000643592751 483426981 /nfs/dbraw/zinc/42/69/81/483426981.db2.gz GMOYUCIAKUVEJK-SJORKVTESA-N 2 0 365.522 -0.175 20 0 FBADRP C[C@@H]1CCCN(C(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)[C@@H]1C[NH3+] ZINC000643593281 483428075 /nfs/dbraw/zinc/42/80/75/483428075.db2.gz XQBFNTPVXWXDAF-BRWVUGGUSA-N 2 0 365.522 -0.189 20 0 FBADRP C[C@@H]1CCCN(C(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)[C@H]1C[NH3+] ZINC000643593282 483428463 /nfs/dbraw/zinc/42/84/63/483428463.db2.gz XQBFNTPVXWXDAF-IKGGRYGDSA-N 2 0 365.522 -0.189 20 0 FBADRP C[C@@H]1CCCN(C(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)[C@@H]1C[NH3+] ZINC000643593283 483427667 /nfs/dbraw/zinc/42/76/67/483427667.db2.gz XQBFNTPVXWXDAF-IXDOHACOSA-N 2 0 365.522 -0.189 20 0 FBADRP C[C@@H]1CCCN(C(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)[C@H]1C[NH3+] ZINC000643593284 483427649 /nfs/dbraw/zinc/42/76/49/483427649.db2.gz XQBFNTPVXWXDAF-ZACQAIPSSA-N 2 0 365.522 -0.189 20 0 FBADRP C[C@@H]1CCCN(C(=O)C(=O)N2CCN(C[C@H]3CCCO3)CC2)[C@@H]1C[NH3+] ZINC000643593334 483427563 /nfs/dbraw/zinc/42/75/63/483427563.db2.gz HAPSKVNKJKSMHS-BZUAXINKSA-N 2 0 352.479 -0.105 20 0 FBADRP C[C@@H]1CCCN(C(=O)C(=O)N2CCN(C[C@H]3CCCO3)CC2)[C@H]1C[NH3+] ZINC000643593335 483428091 /nfs/dbraw/zinc/42/80/91/483428091.db2.gz HAPSKVNKJKSMHS-OAGGEKHMSA-N 2 0 352.479 -0.105 20 0 FBADRP C[C@@H]1CCCN(C(=O)C(=O)N2CCN(C[C@@H]3CCCO3)CC2)[C@@H]1C[NH3+] ZINC000643593336 483427920 /nfs/dbraw/zinc/42/79/20/483427920.db2.gz HAPSKVNKJKSMHS-OWCLPIDISA-N 2 0 352.479 -0.105 20 0 FBADRP C[C@@H]1CCCN(C(=O)C(=O)N2CCN(C[C@@H]3CCCO3)CC2)[C@H]1C[NH3+] ZINC000643593337 483428403 /nfs/dbraw/zinc/42/84/03/483428403.db2.gz HAPSKVNKJKSMHS-PMPSAXMXSA-N 2 0 352.479 -0.105 20 0 FBADRP C[NH2+]CCC1CCN(C(=O)C(=O)N2CCN(CCO)C(C)(C)C2)CC1 ZINC000643593388 483428194 /nfs/dbraw/zinc/42/81/94/483428194.db2.gz ZUIPPNKYLQRMRY-UHFFFAOYSA-N 2 0 354.495 -0.250 20 0 FBADRP O=C(C(=O)N1CC[NH+](CC2CCOCC2)CC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000643593874 483429341 /nfs/dbraw/zinc/42/93/41/483429341.db2.gz AXURPNFRVXIDOH-CVEARBPZSA-N 2 0 350.463 -0.623 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)CC2)c1 ZINC000643593881 483429406 /nfs/dbraw/zinc/42/94/06/483429406.db2.gz BUHSZIMMHMLRAE-HIFRSBDPSA-N 2 0 359.430 -0.441 20 0 FBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000643594147 483429160 /nfs/dbraw/zinc/42/91/60/483429160.db2.gz BWWPNLUTNRDZHA-CVEARBPZSA-N 2 0 364.490 -0.232 20 0 FBADRP O=C(C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000643594166 483429593 /nfs/dbraw/zinc/42/95/93/483429593.db2.gz DXHBGJXAUNVYEQ-OAGGEKHMSA-N 2 0 362.474 -0.480 20 0 FBADRP O=C(C(=O)N1CC[N@@H+]2CCC[C@H]2C1)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000643594167 483429628 /nfs/dbraw/zinc/42/96/28/483429628.db2.gz DXHBGJXAUNVYEQ-XHSDSOJGSA-N 2 0 362.474 -0.480 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)C[C@H]1[NH+](C)C ZINC000643594193 483428930 /nfs/dbraw/zinc/42/89/30/483428930.db2.gz LIPHFXMBSLLFAF-FPCVCCKLSA-N 2 0 364.490 -0.378 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)N2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)C[C@@H]1[NH+](C)C ZINC000643594194 483429456 /nfs/dbraw/zinc/42/94/56/483429456.db2.gz LIPHFXMBSLLFAF-FZKCQIBNSA-N 2 0 364.490 -0.378 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)N2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)C[C@H]1[NH+](C)C ZINC000643594195 483428981 /nfs/dbraw/zinc/42/89/81/483428981.db2.gz LIPHFXMBSLLFAF-JJXSEGSLSA-N 2 0 364.490 -0.378 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)C[C@@H]1[NH+](C)C ZINC000643594196 483429227 /nfs/dbraw/zinc/42/92/27/483429227.db2.gz LIPHFXMBSLLFAF-WCVJEAGWSA-N 2 0 364.490 -0.378 20 0 FBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)C1 ZINC000643594232 483429620 /nfs/dbraw/zinc/42/96/20/483429620.db2.gz QSKNZSVFEBGQHK-OAGGEKHMSA-N 2 0 364.490 -0.234 20 0 FBADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)C1 ZINC000643594233 483429541 /nfs/dbraw/zinc/42/95/41/483429541.db2.gz QSKNZSVFEBGQHK-XHSDSOJGSA-N 2 0 364.490 -0.234 20 0 FBADRP CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)nn1 ZINC000643801499 483942184 /nfs/dbraw/zinc/94/21/84/483942184.db2.gz JCPQDRJQEHDKHS-HCZIRCDUSA-N 2 0 350.467 -0.188 20 0 FBADRP CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)nn1 ZINC000643801500 483941582 /nfs/dbraw/zinc/94/15/82/483941582.db2.gz JCPQDRJQEHDKHS-SMSYFYOWSA-N 2 0 350.467 -0.188 20 0 FBADRP CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)nn1 ZINC000643801501 483942942 /nfs/dbraw/zinc/94/29/42/483942942.db2.gz JCPQDRJQEHDKHS-USRAEIGSSA-N 2 0 350.467 -0.188 20 0 FBADRP CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)nn1 ZINC000643801502 483942603 /nfs/dbraw/zinc/94/26/03/483942603.db2.gz JCPQDRJQEHDKHS-XSEXMBABSA-N 2 0 350.467 -0.188 20 0 FBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000644225317 484424179 /nfs/dbraw/zinc/42/41/79/484424179.db2.gz CHFCZTYCJXWPEX-HRCADAONSA-N 2 0 362.478 -0.336 20 0 FBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000644225318 484423605 /nfs/dbraw/zinc/42/36/05/484423605.db2.gz CHFCZTYCJXWPEX-OWCLPIDISA-N 2 0 362.478 -0.336 20 0 FBADRP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000644225572 484424509 /nfs/dbraw/zinc/42/45/09/484424509.db2.gz CUBVNKLCHXLRLB-LTIDMASMSA-N 2 0 374.489 -0.242 20 0 FBADRP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000644225575 484423427 /nfs/dbraw/zinc/42/34/27/484423427.db2.gz CUBVNKLCHXLRLB-LUKYLMHMSA-N 2 0 374.489 -0.242 20 0 FBADRP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000644225577 484423931 /nfs/dbraw/zinc/42/39/31/484423931.db2.gz CUBVNKLCHXLRLB-VVLHAWIVSA-N 2 0 374.489 -0.242 20 0 FBADRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000644225579 484423627 /nfs/dbraw/zinc/42/36/27/484423627.db2.gz CUBVNKLCHXLRLB-WCXIOVBPSA-N 2 0 374.489 -0.242 20 0 FBADRP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[NH+](C4CCCC4)CC3)C[C@H]2[NH3+])cn1 ZINC000644225592 484424198 /nfs/dbraw/zinc/42/41/98/484424198.db2.gz FJZFFYLZRPCOJS-DLBZAZTESA-N 2 0 374.489 -0.240 20 0 FBADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CC1 ZINC000644225643 484423962 /nfs/dbraw/zinc/42/39/62/484423962.db2.gz RLQIPRLPHIKFHS-JKSUJKDBSA-N 2 0 362.478 -0.384 20 0 FBADRP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCCC34CC[NH+](C)CC4)C[C@H]2[NH3+])cn1 ZINC000644225670 484423524 /nfs/dbraw/zinc/42/35/24/484423524.db2.gz YZNAIVQAPFRLOL-JKSUJKDBSA-N 2 0 374.489 -0.240 20 0 FBADRP Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@H]3CC[N@H+](CC4CC4)C3)C[C@H]2[NH3+])cn1 ZINC000644225696 484424081 /nfs/dbraw/zinc/42/40/81/484424081.db2.gz IDFUCLNZISYOBC-HRCADAONSA-N 2 0 360.462 -0.726 20 0 FBADRP Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)C[C@H]2[NH3+])cn1 ZINC000644225697 484423491 /nfs/dbraw/zinc/42/34/91/484423491.db2.gz IDFUCLNZISYOBC-OWCLPIDISA-N 2 0 360.462 -0.726 20 0 FBADRP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[C@H]([NH+]4CC=CC4)C3)C[C@H]2[NH3+])cn1 ZINC000644226360 484424345 /nfs/dbraw/zinc/42/43/45/484424345.db2.gz FRBQTTQVCZAQQM-HRCADAONSA-N 2 0 358.446 -0.854 20 0 FBADRP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[C@@H]([NH+]4CC=CC4)C3)C[C@H]2[NH3+])cn1 ZINC000644226361 484423556 /nfs/dbraw/zinc/42/35/56/484423556.db2.gz FRBQTTQVCZAQQM-OWCLPIDISA-N 2 0 358.446 -0.854 20 0 FBADRP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[C@@]4(C3)CCC[N@H+](C)C4)C[C@H]2[NH3+])cn1 ZINC000644226388 484423481 /nfs/dbraw/zinc/42/34/81/484423481.db2.gz GLOXITBCQPRRIS-FCEWJHQRSA-N 2 0 374.489 -0.383 20 0 FBADRP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[C@]4(C3)CCC[N@H+](C)C4)C[C@H]2[NH3+])cn1 ZINC000644226389 484424309 /nfs/dbraw/zinc/42/43/09/484424309.db2.gz GLOXITBCQPRRIS-FRQCXROJSA-N 2 0 374.489 -0.383 20 0 FBADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C1 ZINC000644226641 484423710 /nfs/dbraw/zinc/42/37/10/484423710.db2.gz QYTYGXIURQIRDG-HRCADAONSA-N 2 0 362.478 -0.338 20 0 FBADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C1 ZINC000644226642 484424047 /nfs/dbraw/zinc/42/40/47/484424047.db2.gz QYTYGXIURQIRDG-OWCLPIDISA-N 2 0 362.478 -0.338 20 0 FBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC2(NS(C)(=O)=O)CCCCC2)CC1 ZINC000644515283 483421785 /nfs/dbraw/zinc/42/17/85/483421785.db2.gz YQVJKTGOPPNTCN-HNNXBMFYSA-N 2 0 362.540 -0.564 20 0 FBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CC2(NS(C)(=O)=O)CCCCC2)CC1 ZINC000644515284 483421974 /nfs/dbraw/zinc/42/19/74/483421974.db2.gz YQVJKTGOPPNTCN-OAHLLOKOSA-N 2 0 362.540 -0.564 20 0 FBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCNC(=O)Cc2cccc(F)c2)CC1 ZINC000644533253 483424042 /nfs/dbraw/zinc/42/40/42/483424042.db2.gz MXSWWZAWESLLTB-KRWDZBQOSA-N 2 0 352.454 -0.318 20 0 FBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCNC(=O)Cc2cccc(F)c2)CC1 ZINC000644533254 483423843 /nfs/dbraw/zinc/42/38/43/483423843.db2.gz MXSWWZAWESLLTB-QGZVFWFLSA-N 2 0 352.454 -0.318 20 0 FBADRP CN(C)C(=O)[C@H]1CCCN1CCC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000644536728 483422504 /nfs/dbraw/zinc/42/25/04/483422504.db2.gz VQAPAKDMJOAQKF-DLBZAZTESA-N 2 0 355.527 -0.873 20 0 FBADRP CN(C)C(=O)[C@H]1CCCN1CCC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000644536731 483422033 /nfs/dbraw/zinc/42/20/33/483422033.db2.gz VQAPAKDMJOAQKF-IAGOWNOFSA-N 2 0 355.527 -0.873 20 0 FBADRP CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000644536798 483421848 /nfs/dbraw/zinc/42/18/48/483421848.db2.gz VQAPAKDMJOAQKF-IRXDYDNUSA-N 2 0 355.527 -0.873 20 0 FBADRP CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000644536799 483422251 /nfs/dbraw/zinc/42/22/51/483422251.db2.gz VQAPAKDMJOAQKF-SJORKVTESA-N 2 0 355.527 -0.873 20 0 FBADRP COC[C@H](C)OC[C@H](O)C[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000644669417 483428289 /nfs/dbraw/zinc/42/82/89/483428289.db2.gz ZYMQTIHFGFPHTE-DLBZAZTESA-N 2 0 359.511 -0.215 20 0 FBADRP COC[C@@H](C)OC[C@H](O)C[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000644669418 483427584 /nfs/dbraw/zinc/42/75/84/483427584.db2.gz ZYMQTIHFGFPHTE-IAGOWNOFSA-N 2 0 359.511 -0.215 20 0 FBADRP COC[C@H](C)OC[C@@H](O)C[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000644669419 483427206 /nfs/dbraw/zinc/42/72/06/483427206.db2.gz ZYMQTIHFGFPHTE-IRXDYDNUSA-N 2 0 359.511 -0.215 20 0 FBADRP COC[C@@H](C)OC[C@@H](O)C[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000644669420 483428225 /nfs/dbraw/zinc/42/82/25/483428225.db2.gz ZYMQTIHFGFPHTE-SJORKVTESA-N 2 0 359.511 -0.215 20 0 FBADRP COc1cc(C[NH+]2C[C@H](O)C[C@H]2CO)cc(C[N@@H+]2C[C@H](O)C[C@H]2CO)c1 ZINC000645000965 484143753 /nfs/dbraw/zinc/14/37/53/484143753.db2.gz AJXXPVQXVCIHMM-WNRNVDISSA-N 2 0 366.458 -0.450 20 0 FBADRP C[C@@H](NC(=O)C(=O)N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H](O)C1)C1CC[NH+](C)CC1 ZINC000645064530 484167373 /nfs/dbraw/zinc/16/73/73/484167373.db2.gz LAOIIQDDMATSPD-DZUCGIPZSA-N 2 0 366.506 -0.063 20 0 FBADRP C[C@H](NC(=O)C(=O)N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H](O)C1)C1CC[NH+](C)CC1 ZINC000645064532 484167519 /nfs/dbraw/zinc/16/75/19/484167519.db2.gz LAOIIQDDMATSPD-LLLHUVSDSA-N 2 0 366.506 -0.063 20 0 FBADRP C[C@H](NC(=O)C(=O)N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H](O)C1)C1CC[NH+](C)CC1 ZINC000645064534 484166631 /nfs/dbraw/zinc/16/66/31/484166631.db2.gz LAOIIQDDMATSPD-SVGFKBNWSA-N 2 0 366.506 -0.063 20 0 FBADRP C[C@@H](NC(=O)C(=O)N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H](O)C1)C1CC[NH+](C)CC1 ZINC000645064536 484166705 /nfs/dbraw/zinc/16/67/05/484166705.db2.gz LAOIIQDDMATSPD-XBVQOTNRSA-N 2 0 366.506 -0.063 20 0 FBADRP O=C(C[NH2+]C[C@H]1CCCO1)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000645138612 484188100 /nfs/dbraw/zinc/18/81/00/484188100.db2.gz XOOVRDDQGNPERX-ARFHVFGLSA-N 2 0 352.479 -0.138 20 0 FBADRP O=C(C[NH2+]C[C@@H]1CCCO1)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000645138613 484187297 /nfs/dbraw/zinc/18/72/97/484187297.db2.gz XOOVRDDQGNPERX-HRCADAONSA-N 2 0 352.479 -0.138 20 0 FBADRP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000645139745 484187753 /nfs/dbraw/zinc/18/77/53/484187753.db2.gz QRHAWMCUPDSMIX-INIZCTEOSA-N 2 0 368.526 -0.225 20 0 FBADRP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000645139747 484188133 /nfs/dbraw/zinc/18/81/33/484188133.db2.gz QRHAWMCUPDSMIX-MRXNPFEDSA-N 2 0 368.526 -0.225 20 0 FBADRP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCCCC[NH+]1CCOCC1 ZINC000645161194 484197341 /nfs/dbraw/zinc/19/73/41/484197341.db2.gz HMVNCFIREDSPLZ-HNNXBMFYSA-N 2 0 355.483 -0.140 20 0 FBADRP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCCCC[NH+]1CCOCC1 ZINC000645161195 484198542 /nfs/dbraw/zinc/19/85/42/484198542.db2.gz HMVNCFIREDSPLZ-OAHLLOKOSA-N 2 0 355.483 -0.140 20 0 FBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000645232356 484244464 /nfs/dbraw/zinc/24/44/64/484244464.db2.gz UUZZXNMLPZXZGM-CABCVRRESA-N 2 0 355.483 -0.141 20 0 FBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000645232357 484244601 /nfs/dbraw/zinc/24/46/01/484244601.db2.gz UUZZXNMLPZXZGM-GJZGRUSLSA-N 2 0 355.483 -0.141 20 0 FBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000645232358 484244188 /nfs/dbraw/zinc/24/41/88/484244188.db2.gz UUZZXNMLPZXZGM-HUUCEWRRSA-N 2 0 355.483 -0.141 20 0 FBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000645232359 484243622 /nfs/dbraw/zinc/24/36/22/484243622.db2.gz UUZZXNMLPZXZGM-LSDHHAIUSA-N 2 0 355.483 -0.141 20 0 FBADRP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000645233409 484243483 /nfs/dbraw/zinc/24/34/83/484243483.db2.gz DXAZUNGLKYBKHS-AWEZNQCLSA-N 2 0 355.483 -0.141 20 0 FBADRP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000645233410 484243591 /nfs/dbraw/zinc/24/35/91/484243591.db2.gz DXAZUNGLKYBKHS-CQSZACIVSA-N 2 0 355.483 -0.141 20 0 FBADRP C[C@H](CNC(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C)C[NH+]1CCN(C)CC1 ZINC000645262434 483500703 /nfs/dbraw/zinc/50/07/03/483500703.db2.gz AUVFQBDMVMYIFX-CVEARBPZSA-N 2 0 368.526 -0.369 20 0 FBADRP C[C@@H](CNC(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C)C[NH+]1CCN(C)CC1 ZINC000645262435 483500126 /nfs/dbraw/zinc/50/01/26/483500126.db2.gz AUVFQBDMVMYIFX-HOTGVXAUSA-N 2 0 368.526 -0.369 20 0 FBADRP C[C@H](CNC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C)C[NH+]1CCN(C)CC1 ZINC000645262436 483500616 /nfs/dbraw/zinc/50/06/16/483500616.db2.gz AUVFQBDMVMYIFX-HZPDHXFCSA-N 2 0 368.526 -0.369 20 0 FBADRP C[C@@H](CNC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C)C[NH+]1CCN(C)CC1 ZINC000645262437 483500888 /nfs/dbraw/zinc/50/08/88/483500888.db2.gz AUVFQBDMVMYIFX-JKSUJKDBSA-N 2 0 368.526 -0.369 20 0 FBADRP COCC[NH+]1CCC(NC(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)CC1 ZINC000645262693 483501860 /nfs/dbraw/zinc/50/18/60/483501860.db2.gz KICJCXGHPOHRHV-AWEZNQCLSA-N 2 0 355.483 -0.141 20 0 FBADRP COCC[NH+]1CCC(NC(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)CC1 ZINC000645262694 483502269 /nfs/dbraw/zinc/50/22/69/483502269.db2.gz KICJCXGHPOHRHV-CQSZACIVSA-N 2 0 355.483 -0.141 20 0 FBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000645264890 483578426 /nfs/dbraw/zinc/57/84/26/483578426.db2.gz HKEBVLXHEOMVOB-CABCVRRESA-N 2 0 354.499 -0.616 20 0 FBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000645264901 483576906 /nfs/dbraw/zinc/57/69/06/483576906.db2.gz HKEBVLXHEOMVOB-GJZGRUSLSA-N 2 0 354.499 -0.616 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000645311410 483789313 /nfs/dbraw/zinc/78/93/13/483789313.db2.gz JNBVORKDHOWBDM-GASCZTMLSA-N 2 0 350.463 -0.111 20 0 FBADRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000645328061 483811450 /nfs/dbraw/zinc/81/14/50/483811450.db2.gz IMYBWZMEAKUISZ-CVEARBPZSA-N 2 0 368.526 -0.226 20 0 FBADRP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000645328066 483811256 /nfs/dbraw/zinc/81/12/56/483811256.db2.gz IMYBWZMEAKUISZ-HOTGVXAUSA-N 2 0 368.526 -0.226 20 0 FBADRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000645328068 483811411 /nfs/dbraw/zinc/81/14/11/483811411.db2.gz IMYBWZMEAKUISZ-HZPDHXFCSA-N 2 0 368.526 -0.226 20 0 FBADRP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000645328070 483811382 /nfs/dbraw/zinc/81/13/82/483811382.db2.gz IMYBWZMEAKUISZ-JKSUJKDBSA-N 2 0 368.526 -0.226 20 0 FBADRP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000645369963 483885806 /nfs/dbraw/zinc/88/58/06/483885806.db2.gz MSJIROAJYBGVTR-HNNXBMFYSA-N 2 0 368.526 -0.226 20 0 FBADRP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000645369965 483885545 /nfs/dbraw/zinc/88/55/45/483885545.db2.gz MSJIROAJYBGVTR-OAHLLOKOSA-N 2 0 368.526 -0.226 20 0 FBADRP C[NH+]1CCN(c2cc(CNC(=O)CCNC(=O)[C@@H]3CCC[NH2+]3)ccn2)CC1 ZINC000645526492 484520997 /nfs/dbraw/zinc/52/09/97/484520997.db2.gz AQGGYJGMTLYQPS-INIZCTEOSA-N 2 0 374.489 -0.292 20 0 FBADRP C[NH+]1CCN(c2cc(CNC(=O)CCNC(=O)[C@H]3CCC[NH2+]3)ccn2)CC1 ZINC000645526497 484521383 /nfs/dbraw/zinc/52/13/83/484521383.db2.gz AQGGYJGMTLYQPS-MRXNPFEDSA-N 2 0 374.489 -0.292 20 0 FBADRP C[N@@H+]1C[C@@H]2CCN(C(=O)C(=O)Nc3ccn(C4CC[NH+](C)CC4)n3)[C@@H]2C1 ZINC000645625282 484149509 /nfs/dbraw/zinc/14/95/09/484149509.db2.gz OAHNUSXKPSTBQV-DZGCQCFKSA-N 2 0 360.462 0.251 20 0 FBADRP C[N@@H+]1C[C@H]2CCN(C(=O)C(=O)Nc3ccn(C4CC[NH+](C)CC4)n3)[C@H]2C1 ZINC000645625283 484149403 /nfs/dbraw/zinc/14/94/03/484149403.db2.gz OAHNUSXKPSTBQV-HIFRSBDPSA-N 2 0 360.462 0.251 20 0 FBADRP C[N@@H+]1C[C@H]2CCN(C(=O)C(=O)Nc3ccn(C4CC[NH+](C)CC4)n3)[C@@H]2C1 ZINC000645625284 484150428 /nfs/dbraw/zinc/15/04/28/484150428.db2.gz OAHNUSXKPSTBQV-UKRRQHHQSA-N 2 0 360.462 0.251 20 0 FBADRP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000645625285 484150470 /nfs/dbraw/zinc/15/04/70/484150470.db2.gz OAHNUSXKPSTBQV-ZFWWWQNUSA-N 2 0 360.462 0.251 20 0 FBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000645817423 484130795 /nfs/dbraw/zinc/13/07/95/484130795.db2.gz XGXVOKAQEJSRMZ-KRWDZBQOSA-N 3 0 374.489 -0.422 20 0 FBADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000645817424 484130974 /nfs/dbraw/zinc/13/09/74/484130974.db2.gz XGXVOKAQEJSRMZ-QGZVFWFLSA-N 3 0 374.489 -0.422 20 0 FBADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)CCNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000645977703 484620567 /nfs/dbraw/zinc/62/05/67/484620567.db2.gz JGKVPYRDFFDCIW-GDBMZVCRSA-N 3 0 351.495 -0.471 20 0 FBADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)CCNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000645977704 484622909 /nfs/dbraw/zinc/62/29/09/484622909.db2.gz JGKVPYRDFFDCIW-GOEBONIOSA-N 2 0 351.495 -0.471 20 0 FBADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)CCNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000645977705 484623089 /nfs/dbraw/zinc/62/30/89/484623089.db2.gz JGKVPYRDFFDCIW-HOCLYGCPSA-N 2 0 351.495 -0.471 20 0 FBADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)CCNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000645977706 484622641 /nfs/dbraw/zinc/62/26/41/484622641.db2.gz JGKVPYRDFFDCIW-ZBFHGGJFSA-N 2 0 351.495 -0.471 20 0 FBADRP C[NH+]1CCC(N2CC[C@H](NC(=O)c3cn(C[C@H]4CCC[NH2+]4)nn3)C2)CC1 ZINC000645978168 484622517 /nfs/dbraw/zinc/62/25/17/484622517.db2.gz WAXPJWOWOHSWIC-CABCVRRESA-N 2 0 361.494 -0.072 20 0 FBADRP C[NH+]1CCC(N2CC[C@H](NC(=O)c3cn(C[C@@H]4CCC[NH2+]4)nn3)C2)CC1 ZINC000645978169 484623110 /nfs/dbraw/zinc/62/31/10/484623110.db2.gz WAXPJWOWOHSWIC-GJZGRUSLSA-N 2 0 361.494 -0.072 20 0 FBADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)c3cn(C[C@H]4CCC[NH2+]4)nn3)C2)CC1 ZINC000645978170 484622065 /nfs/dbraw/zinc/62/20/65/484622065.db2.gz WAXPJWOWOHSWIC-HUUCEWRRSA-N 2 0 361.494 -0.072 20 0 FBADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)c3cn(C[C@@H]4CCC[NH2+]4)nn3)C2)CC1 ZINC000645978171 484622953 /nfs/dbraw/zinc/62/29/53/484622953.db2.gz WAXPJWOWOHSWIC-LSDHHAIUSA-N 2 0 361.494 -0.072 20 0 FBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)CCNC(=O)[C@@H]3CCC[NH2+]3)CC2)C1 ZINC000646002961 484659813 /nfs/dbraw/zinc/65/98/13/484659813.db2.gz LMEYEUHRFSTPRZ-CVEARBPZSA-N 2 0 351.495 -0.517 20 0 FBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)CCNC(=O)[C@@H]3CCC[NH2+]3)CC2)C1 ZINC000646002962 484659642 /nfs/dbraw/zinc/65/96/42/484659642.db2.gz LMEYEUHRFSTPRZ-HOTGVXAUSA-N 2 0 351.495 -0.517 20 0 FBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)CCNC(=O)[C@H]3CCC[NH2+]3)CC2)C1 ZINC000646002963 484660567 /nfs/dbraw/zinc/66/05/67/484660567.db2.gz LMEYEUHRFSTPRZ-HZPDHXFCSA-N 2 0 351.495 -0.517 20 0 FBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)CCNC(=O)[C@H]3CCC[NH2+]3)CC2)C1 ZINC000646002964 484660615 /nfs/dbraw/zinc/66/06/15/484660615.db2.gz LMEYEUHRFSTPRZ-JKSUJKDBSA-N 2 0 351.495 -0.517 20 0 FBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3cn(C[C@H]4CCC[NH2+]4)nn3)CC2)C1 ZINC000646003275 484660642 /nfs/dbraw/zinc/66/06/42/484660642.db2.gz ZEUGPCQJJCAZQP-CVEARBPZSA-N 2 0 361.494 -0.118 20 0 FBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3cn(C[C@@H]4CCC[NH2+]4)nn3)CC2)C1 ZINC000646003276 484660110 /nfs/dbraw/zinc/66/01/10/484660110.db2.gz ZEUGPCQJJCAZQP-HOTGVXAUSA-N 2 0 361.494 -0.118 20 0 FBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3cn(C[C@H]4CCC[NH2+]4)nn3)CC2)C1 ZINC000646003277 484659797 /nfs/dbraw/zinc/65/97/97/484659797.db2.gz ZEUGPCQJJCAZQP-HZPDHXFCSA-N 2 0 361.494 -0.118 20 0 FBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3cn(C[C@@H]4CCC[NH2+]4)nn3)CC2)C1 ZINC000646003278 484659921 /nfs/dbraw/zinc/65/99/21/484659921.db2.gz ZEUGPCQJJCAZQP-JKSUJKDBSA-N 2 0 361.494 -0.118 20 0 FBADRP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000646009618 484668715 /nfs/dbraw/zinc/66/87/15/484668715.db2.gz XFXLJOZDJLOMNP-CABCVRRESA-N 2 0 362.478 -0.377 20 0 FBADRP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000646009619 484668500 /nfs/dbraw/zinc/66/85/00/484668500.db2.gz XFXLJOZDJLOMNP-GJZGRUSLSA-N 2 0 362.478 -0.377 20 0 FBADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000646009620 484668312 /nfs/dbraw/zinc/66/83/12/484668312.db2.gz XFXLJOZDJLOMNP-HUUCEWRRSA-N 2 0 362.478 -0.377 20 0 FBADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000646009621 484668035 /nfs/dbraw/zinc/66/80/35/484668035.db2.gz XFXLJOZDJLOMNP-LSDHHAIUSA-N 2 0 362.478 -0.377 20 0 FBADRP O=C(NCCC[NH+]1CCCC1)C1CCN(C(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000646069220 484822447 /nfs/dbraw/zinc/82/24/47/484822447.db2.gz WUDBSIOBNLXOAA-INIZCTEOSA-N 2 0 352.479 -0.185 20 0 FBADRP O=C(NCCC[NH+]1CCCC1)C1CCN(C(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000646069221 484823053 /nfs/dbraw/zinc/82/30/53/484823053.db2.gz WUDBSIOBNLXOAA-MRXNPFEDSA-N 2 0 352.479 -0.185 20 0 FBADRP CN1CCC(CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)([NH+]2CCCCC2)CC1 ZINC000646094803 484869867 /nfs/dbraw/zinc/86/98/67/484869867.db2.gz UDGVAVOMSLMCEW-INIZCTEOSA-N 2 0 365.522 -0.079 20 0 FBADRP CN1CCC(CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)([NH+]2CCCCC2)CC1 ZINC000646094804 484870497 /nfs/dbraw/zinc/87/04/97/484870497.db2.gz UDGVAVOMSLMCEW-MRXNPFEDSA-N 2 0 365.522 -0.079 20 0 FBADRP C[NH+](C)C[C@@H](CO)NC(=O)c1ccc(C(=O)N[C@H](CO)C[NH+](C)C)s1 ZINC000646211039 485018392 /nfs/dbraw/zinc/01/83/92/485018392.db2.gz PPTAHNQXDCCFGP-RYUDHWBXSA-N 2 0 372.491 -0.947 20 0 FBADRP C[NH+](C)C[C@H](CO)NC(=O)c1ccc(C(=O)N[C@H](CO)C[NH+](C)C)s1 ZINC000646211040 485018310 /nfs/dbraw/zinc/01/83/10/485018310.db2.gz PPTAHNQXDCCFGP-TXEJJXNPSA-N 2 0 372.491 -0.947 20 0 FBADRP C[NH+](C)C[C@H](CO)NC(=O)c1ccc(C(=O)N[C@@H](CO)C[NH+](C)C)s1 ZINC000646211041 485019362 /nfs/dbraw/zinc/01/93/62/485019362.db2.gz PPTAHNQXDCCFGP-VXGBXAGGSA-N 2 0 372.491 -0.947 20 0 FBADRP CS(=O)(=O)N1CCC([NH2+]CC(=O)NCC[NH+]2CCCCCC2)CC1 ZINC000646215701 485023600 /nfs/dbraw/zinc/02/36/00/485023600.db2.gz VUPPQQJJPSKJRN-UHFFFAOYSA-N 2 0 360.524 -0.008 20 0 FBADRP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000646285211 484486286 /nfs/dbraw/zinc/48/62/86/484486286.db2.gz BGFRYSRWZNGNCH-CYBMUJFWSA-N 2 0 351.455 0.028 20 0 FBADRP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000646285213 484144609 /nfs/dbraw/zinc/14/46/09/484144609.db2.gz BGFRYSRWZNGNCH-ZDUSSCGKSA-N 2 0 351.455 0.028 20 0 FBADRP C[C@@H](NC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O)C(=O)NCC[NH+]1CCCCC1 ZINC000646557961 484038851 /nfs/dbraw/zinc/03/88/51/484038851.db2.gz WVAKLODEASESAK-WZYMTQMTSA-N 2 0 364.490 -0.092 20 0 FBADRP Cn1nnc2cc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccc21 ZINC000646620443 484108107 /nfs/dbraw/zinc/10/81/07/484108107.db2.gz WDHDSZZDJOORFC-UHFFFAOYSA-N 2 0 361.450 -0.141 20 0 FBADRP CCCN(C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)[C@H]1CC[N@H+](C)C1 ZINC000646765885 484300414 /nfs/dbraw/zinc/30/04/14/484300414.db2.gz OOKLRZNVSMDMTQ-AWEZNQCLSA-N 2 0 350.467 0.326 20 0 FBADRP CCCN(C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)[C@@H]1CC[N@H+](C)C1 ZINC000646765886 484300381 /nfs/dbraw/zinc/30/03/81/484300381.db2.gz OOKLRZNVSMDMTQ-CQSZACIVSA-N 2 0 350.467 0.326 20 0 FBADRP CN1NN=C2C1=NCC[C@@H]2C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000646857781 484304166 /nfs/dbraw/zinc/30/41/66/484304166.db2.gz KGNMUCLEXQWZHD-AWEZNQCLSA-N 2 0 351.499 -0.057 20 0 FBADRP CN1NN=C2C1=NCC[C@H]2C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000646857782 484303727 /nfs/dbraw/zinc/30/37/27/484303727.db2.gz KGNMUCLEXQWZHD-CQSZACIVSA-N 2 0 351.499 -0.057 20 0 FBADRP CN(C)S(=O)(=O)NCC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000646857838 484303265 /nfs/dbraw/zinc/30/32/65/484303265.db2.gz KYLSPXGPEVIBQS-UHFFFAOYSA-N 2 0 351.517 -0.886 20 0 FBADRP C[NH+]1C[C@H]2CCN(C(=O)COCC(=O)N3CC[C@H]4C[N@@H+](C)C[C@@H]43)[C@H]2C1 ZINC000646928418 483529658 /nfs/dbraw/zinc/52/96/58/483529658.db2.gz YCINYKDQLGQBAL-FZKCQIBNSA-N 2 0 350.463 -0.672 20 0 FBADRP C[NH+]1C[C@H]2CCN(C(=O)COCC(=O)N3CC[C@H]4C[N@@H+](C)C[C@@H]43)[C@@H]2C1 ZINC000646928421 483529528 /nfs/dbraw/zinc/52/95/28/483529528.db2.gz YCINYKDQLGQBAL-GEEKYZPCSA-N 2 0 350.463 -0.672 20 0 FBADRP C[NH+]1C[C@H]2CCN(C(=O)COCC(=O)N3CC[C@H]4C[N@@H+](C)C[C@H]43)[C@@H]2C1 ZINC000646928424 483529284 /nfs/dbraw/zinc/52/92/84/483529284.db2.gz YCINYKDQLGQBAL-QKPAOTATSA-N 2 0 350.463 -0.672 20 0 FBADRP C[NH+]1C[C@@H]2CCN(C(=O)COCC(=O)N3CC[C@@H]4C[N@@H+](C)C[C@@H]43)[C@@H]2C1 ZINC000646928461 483530336 /nfs/dbraw/zinc/53/03/36/483530336.db2.gz YCINYKDQLGQBAL-SYMSYNOKSA-N 2 0 350.463 -0.672 20 0 FBADRP CCCN(C(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000646997130 483553234 /nfs/dbraw/zinc/55/32/34/483553234.db2.gz QQXATKJQGLSOMD-DLBZAZTESA-N 2 0 367.538 -0.071 20 0 FBADRP CCCN(C(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000646997131 483553456 /nfs/dbraw/zinc/55/34/56/483553456.db2.gz QQXATKJQGLSOMD-IAGOWNOFSA-N 2 0 367.538 -0.071 20 0 FBADRP CCCN(C(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)[C@H]1CC[N@H+](C)C1 ZINC000646997132 483553336 /nfs/dbraw/zinc/55/33/36/483553336.db2.gz QQXATKJQGLSOMD-IRXDYDNUSA-N 2 0 367.538 -0.071 20 0 FBADRP CCCN(C(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1)[C@H]1CC[N@H+](C)C1 ZINC000646997133 483553142 /nfs/dbraw/zinc/55/31/42/483553142.db2.gz QQXATKJQGLSOMD-SJORKVTESA-N 2 0 367.538 -0.071 20 0 FBADRP CC(C)NC(=O)CN(C)CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000647066168 483569235 /nfs/dbraw/zinc/56/92/35/483569235.db2.gz WPLSWGJJOXYNFG-KDOFPFPSSA-N 2 0 367.494 -0.794 20 0 FBADRP O=C(CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)NCC[NH+]1CCCCCC1 ZINC000647082003 483573599 /nfs/dbraw/zinc/57/35/99/483573599.db2.gz YHJVSGRUEDCKTH-INIZCTEOSA-N 2 0 351.495 -0.515 20 0 FBADRP O=C(CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2)NCC[NH+]1CCCCCC1 ZINC000647082004 483573068 /nfs/dbraw/zinc/57/30/68/483573068.db2.gz YHJVSGRUEDCKTH-MRXNPFEDSA-N 2 0 351.495 -0.515 20 0 FBADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000647234806 483836032 /nfs/dbraw/zinc/83/60/32/483836032.db2.gz BEUFFZHKEVWJKJ-BXUZGUMPSA-N 2 0 359.496 -0.202 20 0 FBADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000647234807 483835713 /nfs/dbraw/zinc/83/57/13/483835713.db2.gz BEUFFZHKEVWJKJ-FZMZJTMJSA-N 2 0 359.496 -0.202 20 0 FBADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000647234808 483835732 /nfs/dbraw/zinc/83/57/32/483835732.db2.gz BEUFFZHKEVWJKJ-RISCZKNCSA-N 2 0 359.496 -0.202 20 0 FBADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000647234809 483835840 /nfs/dbraw/zinc/83/58/40/483835840.db2.gz BEUFFZHKEVWJKJ-SMDDNHRTSA-N 2 0 359.496 -0.202 20 0 FBADRP O=C(NC[C@@H](O)C[NH+]1CCc2ccccc2C1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000647414160 484129758 /nfs/dbraw/zinc/12/97/58/484129758.db2.gz SJNTVAJRSPGFEA-MOPGFXCFSA-N 2 0 358.486 -0.088 20 0 FBADRP O=C(NC[C@@H](O)C[NH+]1CCc2ccccc2C1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000647414161 484129608 /nfs/dbraw/zinc/12/96/08/484129608.db2.gz SJNTVAJRSPGFEA-RTBURBONSA-N 2 0 358.486 -0.088 20 0 FBADRP COc1cc(C[N@H+](C)CCN2CC[NH2+]CC2)cc(OC)c1OCC(N)=O ZINC000647492649 484178361 /nfs/dbraw/zinc/17/83/61/484178361.db2.gz PZLOLUPXMVWDKC-UHFFFAOYSA-N 2 0 366.462 -0.095 20 0 FBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@H](O)COc2ccc(F)c(F)c2)CC1 ZINC000647522569 484295722 /nfs/dbraw/zinc/29/57/22/484295722.db2.gz PEWULNWYQXIYCC-KBPBESRZSA-N 2 0 359.417 -0.098 20 0 FBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@H](O)COc2ccc(F)c(F)c2)CC1 ZINC000647522570 484295000 /nfs/dbraw/zinc/29/50/00/484295000.db2.gz PEWULNWYQXIYCC-KGLIPLIRSA-N 2 0 359.417 -0.098 20 0 FBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@@H](O)COc2ccc(F)c(F)c2)CC1 ZINC000647522571 484295099 /nfs/dbraw/zinc/29/50/99/484295099.db2.gz PEWULNWYQXIYCC-UONOGXRCSA-N 2 0 359.417 -0.098 20 0 FBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@@H](O)COc2ccc(F)c(F)c2)CC1 ZINC000647522572 484295834 /nfs/dbraw/zinc/29/58/34/484295834.db2.gz PEWULNWYQXIYCC-ZIAGYGMSSA-N 2 0 359.417 -0.098 20 0 FBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000647557787 484305700 /nfs/dbraw/zinc/30/57/00/484305700.db2.gz CNVFABPNKIKHBA-UHFFFAOYSA-N 2 0 352.479 -0.136 20 0 FBADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CCOC3(CC[NH+](C)CC3)C2)C1 ZINC000647558362 484307148 /nfs/dbraw/zinc/30/71/48/484307148.db2.gz GLJWXQNBBUAOCC-HNNXBMFYSA-N 2 0 352.479 -0.138 20 0 FBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CCOC3(CC[NH+](C)CC3)C2)C1 ZINC000647558363 484306845 /nfs/dbraw/zinc/30/68/45/484306845.db2.gz GLJWXQNBBUAOCC-OAHLLOKOSA-N 2 0 352.479 -0.138 20 0 FBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000647563573 484308280 /nfs/dbraw/zinc/30/82/80/484308280.db2.gz LOJLPQPRDWEOCP-UHFFFAOYSA-N 2 0 352.479 -0.138 20 0 FBADRP C[NH+]1CCC2(CC1)CN(C(=O)C(=O)N1CC[C@H]3CC[N@H+](C)C[C@@H]31)CCO2 ZINC000647564352 484310150 /nfs/dbraw/zinc/31/01/50/484310150.db2.gz VNNBXGZQQJRHQB-CVEARBPZSA-N 2 0 364.490 -0.138 20 0 FBADRP C[NH+]1CCC2(CC1)CN(C(=O)C(=O)N1CC[C@@H]3CC[N@H+](C)C[C@@H]31)CCO2 ZINC000647564353 484310505 /nfs/dbraw/zinc/31/05/05/484310505.db2.gz VNNBXGZQQJRHQB-HOTGVXAUSA-N 2 0 364.490 -0.138 20 0 FBADRP C[NH+]1CCC2(CC1)CN(C(=O)C(=O)N1CC[C@H]3CC[N@H+](C)C[C@H]31)CCO2 ZINC000647564354 484309831 /nfs/dbraw/zinc/30/98/31/484309831.db2.gz VNNBXGZQQJRHQB-HZPDHXFCSA-N 2 0 364.490 -0.138 20 0 FBADRP C[NH+]1CCC2(CC1)CN(C(=O)C(=O)N1CC[C@@H]3CC[N@H+](C)C[C@H]31)CCO2 ZINC000647564355 484310447 /nfs/dbraw/zinc/31/04/47/484310447.db2.gz VNNBXGZQQJRHQB-JKSUJKDBSA-N 2 0 364.490 -0.138 20 0 FBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000647565397 484312952 /nfs/dbraw/zinc/31/29/52/484312952.db2.gz NBMQNZMRLDNKJB-HNNXBMFYSA-N 2 0 352.479 -0.138 20 0 FBADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000647565398 484313294 /nfs/dbraw/zinc/31/32/94/484313294.db2.gz NBMQNZMRLDNKJB-OAHLLOKOSA-N 2 0 352.479 -0.138 20 0 FBADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000647593772 484324835 /nfs/dbraw/zinc/32/48/35/484324835.db2.gz GXVRHNNZPASZRZ-CHWSQXEVSA-N 2 0 351.451 -0.120 20 0 FBADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000647593773 484324637 /nfs/dbraw/zinc/32/46/37/484324637.db2.gz GXVRHNNZPASZRZ-OLZOCXBDSA-N 2 0 351.451 -0.120 20 0 FBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000647593774 484325388 /nfs/dbraw/zinc/32/53/88/484325388.db2.gz GXVRHNNZPASZRZ-QWHCGFSZSA-N 2 0 351.451 -0.120 20 0 FBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000647593775 484324400 /nfs/dbraw/zinc/32/44/00/484324400.db2.gz GXVRHNNZPASZRZ-STQMWFEESA-N 2 0 351.451 -0.120 20 0 FBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000647594982 484325464 /nfs/dbraw/zinc/32/54/64/484325464.db2.gz FQOHQCVFLIREAX-BFHYXJOUSA-N 2 0 355.483 -0.713 20 0 FBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000647594983 484324195 /nfs/dbraw/zinc/32/41/95/484324195.db2.gz FQOHQCVFLIREAX-IHRRRGAJSA-N 2 0 355.483 -0.713 20 0 FBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000647594984 484325643 /nfs/dbraw/zinc/32/56/43/484325643.db2.gz FQOHQCVFLIREAX-MELADBBJSA-N 2 0 355.483 -0.713 20 0 FBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000647594985 484325062 /nfs/dbraw/zinc/32/50/62/484325062.db2.gz FQOHQCVFLIREAX-MJBXVCDLSA-N 2 0 355.483 -0.713 20 0 FBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000647597715 484326707 /nfs/dbraw/zinc/32/67/07/484326707.db2.gz JJEZHEDPSGEPQQ-DZKIICNBSA-N 2 0 353.511 -0.145 20 0 FBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000647597716 484327120 /nfs/dbraw/zinc/32/71/20/484327120.db2.gz JJEZHEDPSGEPQQ-LZWOXQAQSA-N 2 0 353.511 -0.145 20 0 FBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000647597717 484326010 /nfs/dbraw/zinc/32/60/10/484326010.db2.gz JJEZHEDPSGEPQQ-OFQRWUPVSA-N 2 0 353.511 -0.145 20 0 FBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000647597718 484326744 /nfs/dbraw/zinc/32/67/44/484326744.db2.gz JJEZHEDPSGEPQQ-SQWLQELKSA-N 2 0 353.511 -0.145 20 0 FBADRP C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC(=O)N(CCN3CCOCC3)C1)C2 ZINC000647622018 484329336 /nfs/dbraw/zinc/32/93/36/484329336.db2.gz QUWSDMSDOOGIFD-HNNXBMFYSA-N 2 0 350.463 -0.669 20 0 FBADRP C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC(=O)N(CCN3CCOCC3)C1)C2 ZINC000647622019 484330025 /nfs/dbraw/zinc/33/00/25/484330025.db2.gz QUWSDMSDOOGIFD-OAHLLOKOSA-N 2 0 350.463 -0.669 20 0 FBADRP O=C(C[C@]1(C(=O)NC[C@@H]2CCC[NH2+]C2)CC[NH2+]C1)NC[C@H]1CCC[NH2+]C1 ZINC000647697497 483620904 /nfs/dbraw/zinc/62/09/04/483620904.db2.gz NQPVHDDNQGMHAW-FRQCXROJSA-N 3 0 365.522 -0.412 20 0 FBADRP O=C(C[C@]1(C(=O)NC[C@@H]2CCC[NH2+]C2)CC[NH2+]C1)NC[C@@H]1CCC[NH2+]C1 ZINC000647697498 483620554 /nfs/dbraw/zinc/62/05/54/483620554.db2.gz NQPVHDDNQGMHAW-GPMSIDNRSA-N 3 0 365.522 -0.412 20 0 FBADRP O=C(C[C@]1(C(=O)NC[C@H]2CCC[NH2+]C2)CC[NH2+]C1)NC[C@@H]1CCC[NH2+]C1 ZINC000647697499 483620887 /nfs/dbraw/zinc/62/08/87/483620887.db2.gz NQPVHDDNQGMHAW-JTDSTZFVSA-N 3 0 365.522 -0.412 20 0 FBADRP O=C(C[C@]1(C(=O)NC[C@H]2CCC[NH2+]C2)CC[NH2+]C1)NC[C@H]1CCC[NH2+]C1 ZINC000647697500 483620859 /nfs/dbraw/zinc/62/08/59/483620859.db2.gz NQPVHDDNQGMHAW-TXPKVOOTSA-N 3 0 365.522 -0.412 20 0 FBADRP O=C(C[C@]1(C(=O)NC[C@H]2CCCC[NH2+]2)CC[NH2+]C1)NC[C@@H]1CCCC[NH2+]1 ZINC000647704693 483677390 /nfs/dbraw/zinc/67/73/90/483677390.db2.gz GASHUHVHSUBTHH-FRQCXROJSA-N 3 0 365.522 -0.127 20 0 FBADRP O=C(C[C@]1(C(=O)NC[C@H]2CCCC[NH2+]2)CC[NH2+]C1)NC[C@H]1CCCC[NH2+]1 ZINC000647704694 483677254 /nfs/dbraw/zinc/67/72/54/483677254.db2.gz GASHUHVHSUBTHH-GPMSIDNRSA-N 3 0 365.522 -0.127 20 0 FBADRP O=C(C[C@]1(C(=O)NC[C@@H]2CCCC[NH2+]2)CC[NH2+]C1)NC[C@H]1CCCC[NH2+]1 ZINC000647704695 483677314 /nfs/dbraw/zinc/67/73/14/483677314.db2.gz GASHUHVHSUBTHH-JTDSTZFVSA-N 3 0 365.522 -0.127 20 0 FBADRP O=C(C[C@]1(C(=O)NC[C@@H]2CCCC[NH2+]2)CC[NH2+]C1)NC[C@@H]1CCCC[NH2+]1 ZINC000647704696 483677281 /nfs/dbraw/zinc/67/72/81/483677281.db2.gz GASHUHVHSUBTHH-TXPKVOOTSA-N 3 0 365.522 -0.127 20 0 FBADRP C[N@@H+](CCC(=O)Nc1cccc(S(N)(=O)=O)c1)CCN1CC[NH2+]CC1 ZINC000647835269 484299473 /nfs/dbraw/zinc/29/94/73/484299473.db2.gz SLIAAGSXIXVNSD-UHFFFAOYSA-N 2 0 369.491 -0.500 20 0 FBADRP O=S(=O)(N1CCOCC1)N1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000647878433 661842144 /nfs/dbraw/zinc/84/21/44/661842144.db2.gz HGTJXJNGBNFLPX-UHFFFAOYSA-N 2 0 360.524 -0.039 20 0 FBADRP CN1CCN(S(=O)(=O)N2CC[NH+](CCCC3CC[NH2+]CC3)CC2)CC1 ZINC000647879807 484313009 /nfs/dbraw/zinc/31/30/09/484313009.db2.gz AMZBMZGGEPZZBV-UHFFFAOYSA-N 2 0 373.567 -0.124 20 0 FBADRP Cc1nccn1CCCN(Cc1cn(C)c(=O)n(C)c1=O)[C@H]1CC[NH2+]C1 ZINC000647916382 483540221 /nfs/dbraw/zinc/54/02/21/483540221.db2.gz IUXQLLXTMQEPRQ-INIZCTEOSA-N 3 0 360.462 -0.157 20 0 FBADRP Cc1nccn1CCCN(Cc1cn(C)c(=O)n(C)c1=O)[C@@H]1CC[NH2+]C1 ZINC000647916383 483540653 /nfs/dbraw/zinc/54/06/53/483540653.db2.gz IUXQLLXTMQEPRQ-MRXNPFEDSA-N 3 0 360.462 -0.157 20 0 FBADRP Cn1c2ncn(CC[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)c2c(=O)n(C)c1=O ZINC000647970022 483890316 /nfs/dbraw/zinc/89/03/16/483890316.db2.gz VDLMSOYIWQXJJJ-AWEZNQCLSA-N 2 0 360.462 -0.245 20 0 FBADRP Cn1c2ncn(CC[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)c2c(=O)n(C)c1=O ZINC000647970023 483890339 /nfs/dbraw/zinc/89/03/39/483890339.db2.gz VDLMSOYIWQXJJJ-CQSZACIVSA-N 2 0 360.462 -0.245 20 0 FBADRP Cn1c(N)c(C(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(=O)n(C)c1=O ZINC000647978350 483899681 /nfs/dbraw/zinc/89/96/81/483899681.db2.gz QGUCVCLAHOELAV-CHWSQXEVSA-N 2 0 363.462 -0.440 20 0 FBADRP Cn1c(N)c(C(=O)C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(=O)n(C)c1=O ZINC000647978351 483899554 /nfs/dbraw/zinc/89/95/54/483899554.db2.gz QGUCVCLAHOELAV-OLZOCXBDSA-N 2 0 363.462 -0.440 20 0 FBADRP Cn1c(N)c(C(=O)C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(=O)n(C)c1=O ZINC000647978352 483899750 /nfs/dbraw/zinc/89/97/50/483899750.db2.gz QGUCVCLAHOELAV-QWHCGFSZSA-N 2 0 363.462 -0.440 20 0 FBADRP Cn1c(N)c(C(=O)C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(=O)n(C)c1=O ZINC000647978353 483899698 /nfs/dbraw/zinc/89/96/98/483899698.db2.gz QGUCVCLAHOELAV-STQMWFEESA-N 2 0 363.462 -0.440 20 0 FBADRP C[N@H+](CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C1CC([NH3+])C1 ZINC000647982841 484006513 /nfs/dbraw/zinc/00/65/13/484006513.db2.gz RGFVQIDBNANFMK-UHFFFAOYSA-N 2 0 354.476 -0.196 20 0 FBADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CC(=O)N2CCN(C(=O)C3CC3)CC2)CC1 ZINC000647983571 484014161 /nfs/dbraw/zinc/01/41/61/484014161.db2.gz WAZGWECVPXRXKH-AEFFLSMTSA-N 2 0 364.490 -0.105 20 0 FBADRP C[NH+](C)[C@H]1CN(C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C[C@@H]1O ZINC000647994148 484056665 /nfs/dbraw/zinc/05/66/65/484056665.db2.gz LYWUJXOAXRHZKF-HOTGVXAUSA-N 2 0 362.478 -0.350 20 0 FBADRP C[NH+](C)[C@H]1CN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C[C@@H]1O ZINC000647994311 484056047 /nfs/dbraw/zinc/05/60/47/484056047.db2.gz WAPGDLNWWBAERB-HOTGVXAUSA-N 2 0 362.478 -0.350 20 0 FBADRP C[NH+](C)[C@H]1CN(C(=O)NCc2cccnc2N2CC[NH+](C)CC2)C[C@@H]1O ZINC000647994994 484058709 /nfs/dbraw/zinc/05/87/09/484058709.db2.gz LLEIPNQEJXFWLD-HOTGVXAUSA-N 2 0 362.478 -0.350 20 0 FBADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C[C@]1(C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)CC[NH2+]C1 ZINC000648105360 484537324 /nfs/dbraw/zinc/53/73/24/484537324.db2.gz UEGDQDUVSZNVEL-DINLJIAVSA-N 3 0 365.522 -0.252 20 0 FBADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C[C@]1(C(=O)N2C[C@H](C[NH3+])C[C@H]2C)CC[NH2+]C1 ZINC000648105361 484538100 /nfs/dbraw/zinc/53/81/00/484538100.db2.gz UEGDQDUVSZNVEL-GMKVZWAMSA-N 3 0 365.522 -0.252 20 0 FBADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C[C@]1(C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)CC[NH2+]C1 ZINC000648105362 484538566 /nfs/dbraw/zinc/53/85/66/484538566.db2.gz UEGDQDUVSZNVEL-NTODXPRQSA-N 3 0 365.522 -0.252 20 0 FBADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C[C@]1(C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)CC[NH2+]C1 ZINC000648105363 484539006 /nfs/dbraw/zinc/53/90/06/484539006.db2.gz UEGDQDUVSZNVEL-PPLBCVRQSA-N 3 0 365.522 -0.252 20 0 FBADRP CC[NH+](CC)CCN(C(=O)COC1(C)C[NH2+]C1)[C@H]1CCS(=O)(=O)C1 ZINC000648149254 483580806 /nfs/dbraw/zinc/58/08/06/483580806.db2.gz CSHPUOWMVWTVBG-AWEZNQCLSA-N 2 0 361.508 -0.278 20 0 FBADRP CC[NH+](CC)CCN(C(=O)COC1(C)C[NH2+]C1)[C@@H]1CCS(=O)(=O)C1 ZINC000648149255 483580329 /nfs/dbraw/zinc/58/03/29/483580329.db2.gz CSHPUOWMVWTVBG-CQSZACIVSA-N 2 0 361.508 -0.278 20 0 FBADRP CC[NH+](CC)CCN(C(=O)C[C@H]1C[NH2+]CCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000648149303 483580619 /nfs/dbraw/zinc/58/06/19/483580619.db2.gz KYYUTFAJRWILRR-CABCVRRESA-N 2 0 361.508 -0.278 20 0 FBADRP CC[NH+](CC)CCN(C(=O)C[C@H]1C[NH2+]CCO1)[C@H]1CCS(=O)(=O)C1 ZINC000648149304 483581224 /nfs/dbraw/zinc/58/12/24/483581224.db2.gz KYYUTFAJRWILRR-GJZGRUSLSA-N 2 0 361.508 -0.278 20 0 FBADRP CC[NH+](CC)CCN(C(=O)C[C@@H]1C[NH2+]CCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000648149305 483580581 /nfs/dbraw/zinc/58/05/81/483580581.db2.gz KYYUTFAJRWILRR-HUUCEWRRSA-N 2 0 361.508 -0.278 20 0 FBADRP CC[NH+](CC)CCN(C(=O)C[C@@H]1C[NH2+]CCO1)[C@H]1CCS(=O)(=O)C1 ZINC000648149306 483580947 /nfs/dbraw/zinc/58/09/47/483580947.db2.gz KYYUTFAJRWILRR-LSDHHAIUSA-N 2 0 361.508 -0.278 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCN(C)S1(=O)=O ZINC000648759853 484352299 /nfs/dbraw/zinc/35/22/99/484352299.db2.gz XAMAPOMZYLMEQG-CABCVRRESA-N 2 0 360.524 -0.105 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCN(C)S1(=O)=O ZINC000648759854 484352260 /nfs/dbraw/zinc/35/22/60/484352260.db2.gz XAMAPOMZYLMEQG-GJZGRUSLSA-N 2 0 360.524 -0.105 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCN(C)S1(=O)=O ZINC000648759855 484353259 /nfs/dbraw/zinc/35/32/59/484353259.db2.gz XAMAPOMZYLMEQG-HUUCEWRRSA-N 2 0 360.524 -0.105 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCN(C)S1(=O)=O ZINC000648759856 484352552 /nfs/dbraw/zinc/35/25/52/484352552.db2.gz XAMAPOMZYLMEQG-LSDHHAIUSA-N 2 0 360.524 -0.105 20 0 FBADRP COC(CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648858749 484418144 /nfs/dbraw/zinc/41/81/44/484418144.db2.gz MHIGOLXZOWGYOG-RRCSTGOVSA-N 2 0 354.495 -0.086 20 0 FBADRP COC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000648872748 484421168 /nfs/dbraw/zinc/42/11/68/484421168.db2.gz PPUQFVRRFBDJHU-IBEHDNSVSA-N 2 0 354.495 -0.086 20 0 FBADRP COC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000648872749 484420510 /nfs/dbraw/zinc/42/05/10/484420510.db2.gz PPUQFVRRFBDJHU-OXGONZEZSA-N 2 0 354.495 -0.086 20 0 FBADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CCOC3(CC[NH+](C)CC3)C2)CC1=O ZINC000649132937 484624874 /nfs/dbraw/zinc/62/48/74/484624874.db2.gz UNMBCYVPTJFQGF-HNNXBMFYSA-N 2 0 352.479 -0.280 20 0 FBADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCOC3(CC[NH+](C)CC3)C2)CC1=O ZINC000649132938 484625426 /nfs/dbraw/zinc/62/54/26/484625426.db2.gz UNMBCYVPTJFQGF-OAHLLOKOSA-N 2 0 352.479 -0.280 20 0 FBADRP [NH3+][C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000649269746 484774136 /nfs/dbraw/zinc/77/41/36/484774136.db2.gz WNZYRPUQFFFFFO-KRWDZBQOSA-N 2 0 370.457 -0.651 20 0 FBADRP O=C(CC[NH+]1CCN(c2ccccn2)CC1)NCC(=O)N1CC[NH2+]CC1 ZINC000649269751 484773946 /nfs/dbraw/zinc/77/39/46/484773946.db2.gz ZPGDTWAORGDPLT-UHFFFAOYSA-N 2 0 360.462 -0.858 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)CCN2CC[NH2+]CC2)CC1=O ZINC000649271393 484778785 /nfs/dbraw/zinc/77/87/85/484778785.db2.gz GPMSRZSVBAGRAZ-DLBZAZTESA-N 2 0 365.522 -0.317 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(C)CCN2CC[NH2+]CC2)CC1=O ZINC000649271394 484778684 /nfs/dbraw/zinc/77/86/84/484778684.db2.gz GPMSRZSVBAGRAZ-IAGOWNOFSA-N 2 0 365.522 -0.317 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N(C)CCN2CC[NH2+]CC2)CC1=O ZINC000649271396 484777710 /nfs/dbraw/zinc/77/77/10/484777710.db2.gz GPMSRZSVBAGRAZ-IRXDYDNUSA-N 2 0 365.522 -0.317 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N(C)CCN2CC[NH2+]CC2)CC1=O ZINC000649271398 484778267 /nfs/dbraw/zinc/77/82/67/484778267.db2.gz GPMSRZSVBAGRAZ-SJORKVTESA-N 2 0 365.522 -0.317 20 0 FBADRP CN(CCN1CC[NH2+]CC1)C(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000649272112 484778233 /nfs/dbraw/zinc/77/82/33/484778233.db2.gz AEPRVAAOXGMDNA-UHFFFAOYSA-N 2 0 360.506 -0.043 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)CC1=O ZINC000649274325 484780510 /nfs/dbraw/zinc/78/05/10/484780510.db2.gz DEPZWCBQKNONLJ-FPCVCCKLSA-N 2 0 352.479 -0.106 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)CC1=O ZINC000649274326 484780407 /nfs/dbraw/zinc/78/04/07/484780407.db2.gz DEPZWCBQKNONLJ-JJXSEGSLSA-N 2 0 352.479 -0.106 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)CC1=O ZINC000649274327 484780670 /nfs/dbraw/zinc/78/06/70/484780670.db2.gz DEPZWCBQKNONLJ-KLHDSHLOSA-N 2 0 352.479 -0.106 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)CC1=O ZINC000649274328 484780759 /nfs/dbraw/zinc/78/07/59/484780759.db2.gz DEPZWCBQKNONLJ-ZJIFWQFVSA-N 2 0 352.479 -0.106 20 0 FBADRP [NH3+][C@H]1CCCCN(CC(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1=O ZINC000649294451 484831161 /nfs/dbraw/zinc/83/11/61/484831161.db2.gz VYJGAVUNCOADIO-INIZCTEOSA-N 2 0 352.479 -0.103 20 0 FBADRP [NH3+][C@@H]1CCCCN(CC(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1=O ZINC000649294452 484832309 /nfs/dbraw/zinc/83/23/09/484832309.db2.gz VYJGAVUNCOADIO-MRXNPFEDSA-N 2 0 352.479 -0.103 20 0 FBADRP C[NH+]1CCC[C@H](NC(=O)[C@]2(CC(=O)N[C@H]3CCC[N@@H+](C)C3)CC[NH2+]C2)C1 ZINC000649304810 484845307 /nfs/dbraw/zinc/84/53/07/484845307.db2.gz IBPWQGGZLACGKQ-BXWFABGCSA-N 3 0 365.522 -0.223 20 0 FBADRP C[NH+]1CCC[C@@H](NC(=O)[C@]2(CC(=O)N[C@H]3CCC[N@@H+](C)C3)CC[NH2+]C2)C1 ZINC000649304813 484845678 /nfs/dbraw/zinc/84/56/78/484845678.db2.gz IBPWQGGZLACGKQ-FCEWJHQRSA-N 3 0 365.522 -0.223 20 0 FBADRP C[NH+]1CCC[C@@H](NC(=O)[C@@]2(CC(=O)N[C@H]3CCC[N@@H+](C)C3)CC[NH2+]C2)C1 ZINC000649304814 484845587 /nfs/dbraw/zinc/84/55/87/484845587.db2.gz IBPWQGGZLACGKQ-FRQCXROJSA-N 3 0 365.522 -0.223 20 0 FBADRP C[NH+]1CCC[C@H](NC(=O)[C@@]2(CC(=O)N[C@H]3CCC[N@@H+](C)C3)CC[NH2+]C2)C1 ZINC000649304815 484845049 /nfs/dbraw/zinc/84/50/49/484845049.db2.gz IBPWQGGZLACGKQ-TXPKVOOTSA-N 3 0 365.522 -0.223 20 0 FBADRP CN(C)CC[NH+]1CCC(CNC(=O)CN2CCCC[C@H]([NH3+])C2=O)CC1 ZINC000649306344 484849500 /nfs/dbraw/zinc/84/95/00/484849500.db2.gz MRYZRGAPYADLIA-INIZCTEOSA-N 2 0 353.511 -0.284 20 0 FBADRP CN(C)CC[NH+]1CCC(CNC(=O)CN2CCCC[C@@H]([NH3+])C2=O)CC1 ZINC000649306345 484849884 /nfs/dbraw/zinc/84/98/84/484849884.db2.gz MRYZRGAPYADLIA-MRXNPFEDSA-N 2 0 353.511 -0.284 20 0 FBADRP C[N@@H+]1CCCN(C(=O)c2ccccc2NC(=O)CN2CCNCC2=O)CC1 ZINC000649313150 484860226 /nfs/dbraw/zinc/86/02/26/484860226.db2.gz DTTBKAMJPKLUOW-UHFFFAOYSA-N 2 0 373.457 -0.165 20 0 FBADRP [NH3+]CCc1nc(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)cs1 ZINC000649335454 484925312 /nfs/dbraw/zinc/92/53/12/484925312.db2.gz DHDHHGPJJNESLK-CYBMUJFWSA-N 2 0 353.492 -0.219 20 0 FBADRP [NH3+]CCc1nc(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)cs1 ZINC000649335455 484926114 /nfs/dbraw/zinc/92/61/14/484926114.db2.gz DHDHHGPJJNESLK-ZDUSSCGKSA-N 2 0 353.492 -0.219 20 0 FBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C2([NH3+])Cc3ccccc3C2)cn1 ZINC000649340126 484931971 /nfs/dbraw/zinc/93/19/71/484931971.db2.gz DSBZCXYRLXGLOS-UHFFFAOYSA-N 2 0 370.457 -0.004 20 0 FBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@H]2C[NH2+]CCC2(F)F)cn1 ZINC000649340256 484936095 /nfs/dbraw/zinc/93/60/95/484936095.db2.gz MCELIKVQUSGPNV-GFCCVEGCSA-N 2 0 358.393 -0.256 20 0 FBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2C[NH2+]CCC2(F)F)cn1 ZINC000649340257 484935523 /nfs/dbraw/zinc/93/55/23/484935523.db2.gz MCELIKVQUSGPNV-LBPRGKRZSA-N 2 0 358.393 -0.256 20 0 FBADRP CS(=O)(=O)C1(C(=O)N2CCN(c3cc[nH+]cc3)CC2)CC[NH2+]CC1 ZINC000649349595 484950649 /nfs/dbraw/zinc/95/06/49/484950649.db2.gz OWXDRSOUDCHBCJ-UHFFFAOYSA-N 2 0 352.460 -0.103 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)CN2CCCC[C@H]([NH3+])C2=O)CC1 ZINC000649351714 484953065 /nfs/dbraw/zinc/95/30/65/484953065.db2.gz LXVUKGDTRSABHB-CVEARBPZSA-N 2 0 353.511 -0.284 20 0 FBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)CN2CCCC[C@H]([NH3+])C2=O)CC1 ZINC000649351715 484953056 /nfs/dbraw/zinc/95/30/56/484953056.db2.gz LXVUKGDTRSABHB-HOTGVXAUSA-N 2 0 353.511 -0.284 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)CN2CCCC[C@@H]([NH3+])C2=O)CC1 ZINC000649351716 484953666 /nfs/dbraw/zinc/95/36/66/484953666.db2.gz LXVUKGDTRSABHB-HZPDHXFCSA-N 2 0 353.511 -0.284 20 0 FBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)CN2CCCC[C@@H]([NH3+])C2=O)CC1 ZINC000649351717 484953981 /nfs/dbraw/zinc/95/39/81/484953981.db2.gz LXVUKGDTRSABHB-JKSUJKDBSA-N 2 0 353.511 -0.284 20 0 FBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1nc2n(n1)CCCN2 ZINC000649352098 484953730 /nfs/dbraw/zinc/95/37/30/484953730.db2.gz QSGGKUMTBFLNGJ-UHFFFAOYSA-N 2 0 370.461 -0.312 20 0 FBADRP CC1(OCC(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)C[NH2+]C1 ZINC000649352290 484956313 /nfs/dbraw/zinc/95/63/13/484956313.db2.gz HYCXQRNGNZSVBL-UHFFFAOYSA-N 2 0 362.478 -0.127 20 0 FBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)CN3CCCC[C@H]([NH3+])C3=O)CC2)C1 ZINC000649352721 484956578 /nfs/dbraw/zinc/95/65/78/484956578.db2.gz GSPQYRXJZLEAGJ-CVEARBPZSA-N 2 0 351.495 -0.435 20 0 FBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)CN3CCCC[C@H]([NH3+])C3=O)CC2)C1 ZINC000649352722 484956825 /nfs/dbraw/zinc/95/68/25/484956825.db2.gz GSPQYRXJZLEAGJ-HOTGVXAUSA-N 2 0 351.495 -0.435 20 0 FBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)CN3CCCC[C@@H]([NH3+])C3=O)CC2)C1 ZINC000649352723 484957176 /nfs/dbraw/zinc/95/71/76/484957176.db2.gz GSPQYRXJZLEAGJ-HZPDHXFCSA-N 2 0 351.495 -0.435 20 0 FBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)CN3CCCC[C@@H]([NH3+])C3=O)CC2)C1 ZINC000649352724 484956994 /nfs/dbraw/zinc/95/69/94/484956994.db2.gz GSPQYRXJZLEAGJ-JKSUJKDBSA-N 2 0 351.495 -0.435 20 0 FBADRP C[N@@H+](CCC(=O)N1CCN(c2ncccn2)CC1)CCN1CC[NH2+]CC1 ZINC000649409650 484981662 /nfs/dbraw/zinc/98/16/62/484981662.db2.gz JIRCJEAHSDBZTJ-UHFFFAOYSA-N 2 0 361.494 -0.648 20 0 FBADRP C[N@@H+](CCC(=O)N1CCN(c2ccccn2)CC1)CCN1CC[NH2+]CC1 ZINC000649409665 484981354 /nfs/dbraw/zinc/98/13/54/484981354.db2.gz LXXZWEQGJJIXEA-UHFFFAOYSA-N 2 0 360.506 -0.043 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN(C)CCN2CC[NH2+]CC2)C1 ZINC000649409772 484981834 /nfs/dbraw/zinc/98/18/34/484981834.db2.gz WAQQTBIQVSFNLB-KRWDZBQOSA-N 2 0 355.527 -0.704 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN(C)CCN2CC[NH2+]CC2)C1 ZINC000649409773 484981911 /nfs/dbraw/zinc/98/19/11/484981911.db2.gz WAQQTBIQVSFNLB-QGZVFWFLSA-N 2 0 355.527 -0.704 20 0 FBADRP CN(C)C(=O)CN1CCN(C(=O)C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000649418701 484986256 /nfs/dbraw/zinc/98/62/56/484986256.db2.gz OWVIEUGSTIHHKT-KRWDZBQOSA-N 2 0 365.522 -0.317 20 0 FBADRP CN(C)C(=O)CN1CCN(C(=O)C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)CC1 ZINC000649418702 484986597 /nfs/dbraw/zinc/98/65/97/484986597.db2.gz OWVIEUGSTIHHKT-QGZVFWFLSA-N 2 0 365.522 -0.317 20 0 FBADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N(C)CCN1CC[NH2+]CC1 ZINC000649422162 484987762 /nfs/dbraw/zinc/98/77/62/484987762.db2.gz FNHBPCWKZWKSSL-UHFFFAOYSA-N 2 0 372.539 -0.413 20 0 FBADRP C[NH+](C)CCN1CCN(CC(=O)NC2CC[NH+](C3CC3)CC2)CC1=O ZINC000649687819 485154379 /nfs/dbraw/zinc/15/43/79/485154379.db2.gz GXMPQFNVEURIHM-UHFFFAOYSA-N 2 0 351.495 -0.565 20 0 FBADRP CC(C)[NH+]1CCC(NC(=O)CN2CCN(CC[NH+](C)C)C(=O)C2)CC1 ZINC000649687997 485154683 /nfs/dbraw/zinc/15/46/83/485154683.db2.gz NLDIMXUSEIIGDB-UHFFFAOYSA-N 2 0 353.511 -0.319 20 0 FBADRP C[C@@H](CCO)[NH+](C)CC(=O)N1CCN(C(=O)C[N@@H+](C)[C@@H](C)CCO)CC1 ZINC000649865395 485262806 /nfs/dbraw/zinc/26/28/06/485262806.db2.gz VKCACWKMIYPBOE-HOTGVXAUSA-N 2 0 372.510 -0.937 20 0 FBADRP C[C@H](CCO)[NH+](C)CC(=O)N1CCN(C(=O)C[N@@H+](C)[C@H](C)CCO)CC1 ZINC000649865396 485262788 /nfs/dbraw/zinc/26/27/88/485262788.db2.gz VKCACWKMIYPBOE-HZPDHXFCSA-N 2 0 372.510 -0.937 20 0 FBADRP C[C@H](CCO)[NH+](C)CC(=O)N1CCN(C(=O)C[N@@H+](C)[C@@H](C)CCO)CC1 ZINC000649865397 485262883 /nfs/dbraw/zinc/26/28/83/485262883.db2.gz VKCACWKMIYPBOE-IYBDPMFKSA-N 2 0 372.510 -0.937 20 0 FBADRP CC[NH+]1CCC(NC(=O)CN2CCN(CCOCCOC)CC2)CC1 ZINC000649898436 485283352 /nfs/dbraw/zinc/28/33/52/485283352.db2.gz OAGBPYDXCYFOCU-UHFFFAOYSA-N 2 0 356.511 -0.133 20 0 FBADRP C[NH+](C)CCn1cc(NC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)cn1 ZINC000650061780 483963280 /nfs/dbraw/zinc/96/32/80/483963280.db2.gz OLDAXDJYDGPQDZ-UHFFFAOYSA-N 2 0 351.455 -0.318 20 0 FBADRP O=C(Nc1cnn(CCN2CCOCC2)c1)N1CC(N2CC[C@@H](O)C2)C1 ZINC000650062417 483963873 /nfs/dbraw/zinc/96/38/73/483963873.db2.gz PLHKIOUAZCLUNU-MRXNPFEDSA-N 2 0 364.450 -0.502 20 0 FBADRP C[NH+](C)CCn1nccc1NC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000650231241 483514452 /nfs/dbraw/zinc/51/44/52/483514452.db2.gz IHIQLGOFBVQZMZ-UHFFFAOYSA-N 2 0 351.455 -0.318 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC000650583118 483807121 /nfs/dbraw/zinc/80/71/21/483807121.db2.gz RWFUGOOTGWTBRA-INIZCTEOSA-N 2 0 369.510 -0.241 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC000650583119 483806674 /nfs/dbraw/zinc/80/66/74/483806674.db2.gz RWFUGOOTGWTBRA-MRXNPFEDSA-N 2 0 369.510 -0.241 20 0 FBADRP C[C@H]1C[NH+](CCCNC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C[C@H](C)O1 ZINC000650607287 483863429 /nfs/dbraw/zinc/86/34/29/483863429.db2.gz KHQQOVZKWVGQNH-HOTGVXAUSA-N 2 0 369.510 -0.099 20 0 FBADRP C[C@@H]1C[NH+](CCCNC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C[C@@H](C)O1 ZINC000650607288 483863589 /nfs/dbraw/zinc/86/35/89/483863589.db2.gz KHQQOVZKWVGQNH-HZPDHXFCSA-N 2 0 369.510 -0.099 20 0 FBADRP C[C@@H]1C[N@@H+](CCCNC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C[C@H](C)O1 ZINC000650607289 483863462 /nfs/dbraw/zinc/86/34/62/483863462.db2.gz KHQQOVZKWVGQNH-IYBDPMFKSA-N 2 0 369.510 -0.099 20 0 FBADRP C[NH+](C)CCN1CCN(C(=O)NCC(C)(C)N2CC[NH+](C)CC2)CC1=O ZINC000650611810 483868135 /nfs/dbraw/zinc/86/81/35/483868135.db2.gz ZCAAGGFGXOYTKL-UHFFFAOYSA-N 2 0 368.526 -0.572 20 0 FBADRP C[NH+](C)CCN1CCC(NC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC1 ZINC000650627072 483876952 /nfs/dbraw/zinc/87/69/52/483876952.db2.gz WXLDCSPPWJLCIE-UHFFFAOYSA-N 2 0 368.526 -0.572 20 0 FBADRP O=C(NC[C@]1(N2CCOCC2)CCSC1)N1CC(N2CC[C@@H](O)C2)C1 ZINC000650728920 483935129 /nfs/dbraw/zinc/93/51/29/483935129.db2.gz VYSLILGIPPTKHV-NVXWUHKLSA-N 2 0 370.519 -0.345 20 0 FBADRP O=C(NC[C@@]1(N2CCOCC2)CCSC1)N1CC(N2CC[C@@H](O)C2)C1 ZINC000650728921 483934176 /nfs/dbraw/zinc/93/41/76/483934176.db2.gz VYSLILGIPPTKHV-WBVHZDCISA-N 2 0 370.519 -0.345 20 0 FBADRP COCC[NH+]1CCC(NC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC1 ZINC000650764937 483975169 /nfs/dbraw/zinc/97/51/69/483975169.db2.gz UIKYMDNZRXMRLT-UHFFFAOYSA-N 2 0 355.483 -0.487 20 0 FBADRP COCCC[NH+]1CCC(NC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC1 ZINC000650824445 484080698 /nfs/dbraw/zinc/08/06/98/484080698.db2.gz PTLYYWARZVBKMO-UHFFFAOYSA-N 2 0 369.510 -0.097 20 0 FBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000650854920 484082154 /nfs/dbraw/zinc/08/21/54/484082154.db2.gz PQWUIAGTVUUYRS-HNNXBMFYSA-N 2 0 354.499 -0.962 20 0 FBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000650854921 484082111 /nfs/dbraw/zinc/08/21/11/484082111.db2.gz PQWUIAGTVUUYRS-OAHLLOKOSA-N 2 0 354.499 -0.962 20 0 FBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000650863516 484085717 /nfs/dbraw/zinc/08/57/17/484085717.db2.gz QCGOUHMIZKPHCS-HNNXBMFYSA-N 2 0 355.483 -0.487 20 0 FBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000650863517 484086008 /nfs/dbraw/zinc/08/60/08/484086008.db2.gz QCGOUHMIZKPHCS-OAHLLOKOSA-N 2 0 355.483 -0.487 20 0 FBADRP C[NH+](C)CCN1CCN(C(=O)NCC2([NH+](C)C)CCOCC2)CC1=O ZINC000650874204 484088197 /nfs/dbraw/zinc/08/81/97/484088197.db2.gz QLJNITNCMWAQPO-UHFFFAOYSA-N 2 0 355.483 -0.487 20 0 FBADRP CN1CC[NH+](CCCCNC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC1 ZINC000650891310 484091979 /nfs/dbraw/zinc/09/19/79/484091979.db2.gz IPDPRGSTKNNQRV-UHFFFAOYSA-N 2 0 368.526 -0.571 20 0 FBADRP C[C@@H](CNC(=O)N1CCN(CC[NH+](C)C)C(=O)C1)C[NH+]1CCN(C)CC1 ZINC000650922782 484149514 /nfs/dbraw/zinc/14/95/14/484149514.db2.gz MHHNCCUAWYVOLC-INIZCTEOSA-N 2 0 368.526 -0.715 20 0 FBADRP C[C@H](CNC(=O)N1CCN(CC[NH+](C)C)C(=O)C1)C[NH+]1CCN(C)CC1 ZINC000650922783 484149831 /nfs/dbraw/zinc/14/98/31/484149831.db2.gz MHHNCCUAWYVOLC-MRXNPFEDSA-N 2 0 368.526 -0.715 20 0 FBADRP C[NH+](C)CCN1CCN(C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1=O ZINC000650955929 484331145 /nfs/dbraw/zinc/33/11/45/484331145.db2.gz IZNKCEATOIJDQS-INIZCTEOSA-N 2 0 357.524 -0.161 20 0 FBADRP C[NH+](C)CCN1CCN(C(=O)NC[C@]2([NH+](C)C)CCSC2)CC1=O ZINC000650955930 484331664 /nfs/dbraw/zinc/33/16/64/484331664.db2.gz IZNKCEATOIJDQS-MRXNPFEDSA-N 2 0 357.524 -0.161 20 0 FBADRP COCCOCCN1CCN(C(=O)N[C@H](C)[C@@H]2CN(C)CCO2)CC1 ZINC000650978709 484388140 /nfs/dbraw/zinc/38/81/40/484388140.db2.gz RATIQYYLOQWNAH-CVEARBPZSA-N 2 0 358.483 -0.304 20 0 FBADRP COCCOCCN1CCN(C(=O)N[C@@H](C)[C@@H]2CN(C)CCO2)CC1 ZINC000650978710 484387842 /nfs/dbraw/zinc/38/78/42/484387842.db2.gz RATIQYYLOQWNAH-HOTGVXAUSA-N 2 0 358.483 -0.304 20 0 FBADRP COCCOCCN1CCN(C(=O)N[C@H](C)[C@H]2CN(C)CCO2)CC1 ZINC000650978711 484388259 /nfs/dbraw/zinc/38/82/59/484388259.db2.gz RATIQYYLOQWNAH-HZPDHXFCSA-N 2 0 358.483 -0.304 20 0 FBADRP COCCOCCN1CCN(C(=O)N[C@@H](C)[C@H]2CN(C)CCO2)CC1 ZINC000650978712 484387899 /nfs/dbraw/zinc/38/78/99/484387899.db2.gz RATIQYYLOQWNAH-JKSUJKDBSA-N 2 0 358.483 -0.304 20 0 FBADRP C[C@H]1C[N@H+](CCCNC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CCCO1 ZINC000651062025 483436116 /nfs/dbraw/zinc/43/61/16/483436116.db2.gz MDDXCKDKXVDTSB-INIZCTEOSA-N 2 0 369.510 -0.097 20 0 FBADRP C[C@@H]1C[N@H+](CCCNC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CCCO1 ZINC000651062026 483436436 /nfs/dbraw/zinc/43/64/36/483436436.db2.gz MDDXCKDKXVDTSB-MRXNPFEDSA-N 2 0 369.510 -0.097 20 0 FBADRP C[NH+](C)CCN1CCN(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1=O ZINC000651079088 483437036 /nfs/dbraw/zinc/43/70/36/483437036.db2.gz ITPLAAUYRCIAFM-UHFFFAOYSA-N 2 0 368.526 -0.572 20 0 FBADRP COCCOCCN1CCN(C(=O)NCC[N@@H+]2CCCOCC2)CC1 ZINC000651118623 483443090 /nfs/dbraw/zinc/44/30/90/483443090.db2.gz ZOVGMNIXBRIXAA-UHFFFAOYSA-N 2 0 358.483 -0.301 20 0 FBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCS(=O)(=O)N1 ZINC000651212001 483449962 /nfs/dbraw/zinc/44/99/62/483449962.db2.gz COZLJXDNCPFOLB-HNNXBMFYSA-N 2 0 367.475 -0.598 20 0 FBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCS(=O)(=O)N1 ZINC000651212002 483449711 /nfs/dbraw/zinc/44/97/11/483449711.db2.gz COZLJXDNCPFOLB-OAHLLOKOSA-N 2 0 367.475 -0.598 20 0 FBADRP NC(=O)c1ncn(CC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000651212246 483450349 /nfs/dbraw/zinc/45/03/49/483450349.db2.gz JTGVLHCFLQRJNT-UHFFFAOYSA-N 2 0 372.433 -0.900 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cn1cnc(C(N)=O)n1 ZINC000651222463 483450988 /nfs/dbraw/zinc/45/09/88/483450988.db2.gz ZAZMFERVOTUXMD-CYBMUJFWSA-N 2 0 351.455 -0.749 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cn1cnc(C(N)=O)n1 ZINC000651222464 483450918 /nfs/dbraw/zinc/45/09/18/483450918.db2.gz ZAZMFERVOTUXMD-ZDUSSCGKSA-N 2 0 351.455 -0.749 20 0 FBADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)Cn1nc2n(c1=O)CCCC2 ZINC000651332913 483467665 /nfs/dbraw/zinc/46/76/65/483467665.db2.gz PCSDYVVHTHJILP-UHFFFAOYSA-N 2 0 364.494 -0.135 20 0 FBADRP COC1(CS(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCOCC1 ZINC000651548689 483587939 /nfs/dbraw/zinc/58/79/39/483587939.db2.gz GTKORBOCJFBDME-UHFFFAOYSA-N 2 0 351.513 -0.063 20 0 FBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)cn1 ZINC000651831628 483701542 /nfs/dbraw/zinc/70/15/42/483701542.db2.gz ARASGBXRTYDPRL-HNNXBMFYSA-N 2 0 366.466 -0.654 20 0 FBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2CCCO)cn1 ZINC000651831629 483701434 /nfs/dbraw/zinc/70/14/34/483701434.db2.gz ARASGBXRTYDPRL-OAHLLOKOSA-N 2 0 366.466 -0.654 20 0 FBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)cn1 ZINC000651831761 483701638 /nfs/dbraw/zinc/70/16/38/483701638.db2.gz HAUQQIVOJHDAKF-HNNXBMFYSA-N 2 0 366.466 -0.654 20 0 FBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2CCO)cn1 ZINC000651831762 483701252 /nfs/dbraw/zinc/70/12/52/483701252.db2.gz HAUQQIVOJHDAKF-OAHLLOKOSA-N 2 0 366.466 -0.654 20 0 FBADRP CCO[C@@H]1CN(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C[C@H]1C[NH3+] ZINC000652144743 483630957 /nfs/dbraw/zinc/63/09/57/483630957.db2.gz QPIJMYNTKXEHDR-BZUAXINKSA-N 2 0 369.510 -0.066 20 0 FBADRP CCO[C@@H]1CN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C[C@H]1C[NH3+] ZINC000652144744 483630747 /nfs/dbraw/zinc/63/07/47/483630747.db2.gz QPIJMYNTKXEHDR-OWCLPIDISA-N 2 0 369.510 -0.066 20 0 FBADRP CCO[C@@H]1CN(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C[C@H]1C[NH3+] ZINC000652148688 483739250 /nfs/dbraw/zinc/73/92/50/483739250.db2.gz CNLCICPCNJSWHT-GDBMZVCRSA-N 2 0 369.510 -0.066 20 0 FBADRP CCO[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C[C@H]1C[NH3+] ZINC000652153124 483740667 /nfs/dbraw/zinc/74/06/67/483740667.db2.gz BRFNYDGJLCAWAQ-BRWVUGGUSA-N 2 0 369.510 -0.602 20 0 FBADRP CCO[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C[C@H]1C[NH3+] ZINC000652153125 483740924 /nfs/dbraw/zinc/74/09/24/483740924.db2.gz BRFNYDGJLCAWAQ-IXDOHACOSA-N 2 0 369.510 -0.602 20 0 FBADRP CCO[C@@H]1CN(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C[C@H]1C[NH3+] ZINC000652218246 483749292 /nfs/dbraw/zinc/74/92/92/483749292.db2.gz CWDABBPGKCPLBA-JHJVBQTASA-N 2 0 367.416 -0.172 20 0 FBADRP CCO[C@@H]1CN(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C[C@H]1C[NH3+] ZINC000652218247 483749375 /nfs/dbraw/zinc/74/93/75/483749375.db2.gz CWDABBPGKCPLBA-UPJWGTAASA-N 2 0 367.416 -0.172 20 0 FBADRP CN1CCN(C(=O)NCc2cc(S(N)(=O)=O)ccc2F)[C@H](C[NH3+])C1 ZINC000652231238 483750180 /nfs/dbraw/zinc/75/01/80/483750180.db2.gz ORFLEGQWSCVISO-LLVKDONJSA-N 2 0 359.427 -0.743 20 0 FBADRP CN1CCN(C(=O)NCc2cc(S(N)(=O)=O)ccc2F)[C@@H](C[NH3+])C1 ZINC000652231239 483750197 /nfs/dbraw/zinc/75/01/97/483750197.db2.gz ORFLEGQWSCVISO-NSHDSACASA-N 2 0 359.427 -0.743 20 0 FBADRP Cn1cc(S(=O)(=O)NCC[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cn1 ZINC000652348601 483774389 /nfs/dbraw/zinc/77/43/89/483774389.db2.gz JWYKYGJOZAFEGO-DZKIICNBSA-N 2 0 371.507 -0.083 20 0 FBADRP Cn1cc(S(=O)(=O)NCC[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cn1 ZINC000652348602 483774238 /nfs/dbraw/zinc/77/42/38/483774238.db2.gz JWYKYGJOZAFEGO-LZWOXQAQSA-N 2 0 371.507 -0.083 20 0 FBADRP Cn1cc(S(=O)(=O)NCC[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cn1 ZINC000652348603 483774425 /nfs/dbraw/zinc/77/44/25/483774425.db2.gz JWYKYGJOZAFEGO-OFQRWUPVSA-N 2 0 371.507 -0.083 20 0 FBADRP Cn1cc(S(=O)(=O)NCC[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cn1 ZINC000652348604 483774276 /nfs/dbraw/zinc/77/42/76/483774276.db2.gz JWYKYGJOZAFEGO-SQWLQELKSA-N 2 0 371.507 -0.083 20 0 FBADRP Cn1cnc2c1c(=O)n(CCC[N@@H+]1C[C@@H]3CCC[C@]3(C[NH3+])C1)c(=O)n2C ZINC000652352100 483775994 /nfs/dbraw/zinc/77/59/94/483775994.db2.gz FLIFITALFTVTPN-UGSOOPFHSA-N 2 0 360.462 -0.115 20 0 FBADRP C[C@@H]1CCC[N@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)[C@H]1CC[NH3+] ZINC000652355373 483775631 /nfs/dbraw/zinc/77/56/31/483775631.db2.gz WRNHQMWXARUXCO-CVEARBPZSA-N 2 0 353.511 -0.332 20 0 FBADRP C[C@H]1CCC[N@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)[C@H]1CC[NH3+] ZINC000652355374 483775894 /nfs/dbraw/zinc/77/58/94/483775894.db2.gz WRNHQMWXARUXCO-HOTGVXAUSA-N 2 0 353.511 -0.332 20 0 FBADRP C[C@@H]1CCC[N@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)[C@@H]1CC[NH3+] ZINC000652355375 483775830 /nfs/dbraw/zinc/77/58/30/483775830.db2.gz WRNHQMWXARUXCO-HZPDHXFCSA-N 2 0 353.511 -0.332 20 0 FBADRP C[C@H]1CCC[N@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)[C@@H]1CC[NH3+] ZINC000652355376 483775918 /nfs/dbraw/zinc/77/59/18/483775918.db2.gz WRNHQMWXARUXCO-JKSUJKDBSA-N 2 0 353.511 -0.332 20 0 FBADRP CCO[C@@H]1C[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C[C@H]1C[NH3+] ZINC000652356708 483775808 /nfs/dbraw/zinc/77/58/08/483775808.db2.gz AQWHXNIMYAZVFF-CHWSQXEVSA-N 2 0 364.450 -0.881 20 0 FBADRP CCO[C@@H]1C[N@H+](CCC(=O)N2CCN(c3ncccn3)CC2)C[C@H]1C[NH3+] ZINC000652356929 483775854 /nfs/dbraw/zinc/77/58/54/483775854.db2.gz QSAAMGNMIHHRRD-HZPDHXFCSA-N 2 0 362.478 -0.189 20 0 FBADRP CCO[C@@H]1CN(CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C[C@H]1C[NH3+] ZINC000652357044 483775664 /nfs/dbraw/zinc/77/56/64/483775664.db2.gz YTFGYWPIVOVQBL-BRWVUGGUSA-N 2 0 356.511 -0.245 20 0 FBADRP CCO[C@@H]1CN(CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C[C@H]1C[NH3+] ZINC000652357045 483775965 /nfs/dbraw/zinc/77/59/65/483775965.db2.gz YTFGYWPIVOVQBL-IXDOHACOSA-N 2 0 356.511 -0.245 20 0 FBADRP CCO[C@@H]1C[N@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C[C@H]1C[NH3+] ZINC000652357572 483775907 /nfs/dbraw/zinc/77/59/07/483775907.db2.gz YLXUJRXOZHUUKU-IUODEOHRSA-N 2 0 370.475 -0.042 20 0 FBADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652398584 483781147 /nfs/dbraw/zinc/78/11/47/483781147.db2.gz OADMTEQEJJKCIM-UHFFFAOYSA-N 2 0 369.510 -0.735 20 0 FBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC000652400025 483781049 /nfs/dbraw/zinc/78/10/49/483781049.db2.gz SLKALFADUHYEGV-HNNXBMFYSA-N 2 0 367.494 -0.839 20 0 FBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC000652400026 483781097 /nfs/dbraw/zinc/78/10/97/483781097.db2.gz SLKALFADUHYEGV-OAHLLOKOSA-N 2 0 367.494 -0.839 20 0 FBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N2CCN(CCOCCOC)CC2)CC1 ZINC000652400336 483780866 /nfs/dbraw/zinc/78/08/66/483780866.db2.gz MZNVMLCFBHBAEP-UHFFFAOYSA-N 2 0 370.494 -0.652 20 0 FBADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC1 ZINC000652423263 483783369 /nfs/dbraw/zinc/78/33/69/483783369.db2.gz QAFVLWNFKWZOKL-UHFFFAOYSA-N 2 0 367.494 -0.839 20 0 FBADRP COCCOCCN1CCN(C(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000652429198 483784739 /nfs/dbraw/zinc/78/47/39/483784739.db2.gz BTFBCSRZHDMNCL-INIZCTEOSA-N 2 0 370.494 -0.654 20 0 FBADRP COCCOCCN1CCN(C(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000652429199 483784643 /nfs/dbraw/zinc/78/46/43/483784643.db2.gz BTFBCSRZHDMNCL-MRXNPFEDSA-N 2 0 370.494 -0.654 20 0 FBADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CCN(CC(C)(C)O)CC1 ZINC000652429518 483785124 /nfs/dbraw/zinc/78/51/24/483785124.db2.gz WQMPRQZXEDTILV-UHFFFAOYSA-N 2 0 354.495 -0.154 20 0 FBADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000652431473 483785426 /nfs/dbraw/zinc/78/54/26/483785426.db2.gz SDAITJKJUZUOGD-UHFFFAOYSA-N 3 0 355.527 -0.118 20 0 FBADRP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652433155 483785393 /nfs/dbraw/zinc/78/53/93/483785393.db2.gz VGOHNDDFNDNSLP-UHFFFAOYSA-N 2 0 367.494 -0.981 20 0 FBADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652443272 483788190 /nfs/dbraw/zinc/78/81/90/483788190.db2.gz RBIVILZNZIVMLF-UHFFFAOYSA-N 2 0 367.494 -0.837 20 0 FBADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652459240 483790376 /nfs/dbraw/zinc/79/03/76/483790376.db2.gz CUKCZUVYNFWLST-CABCVRRESA-N 2 0 367.494 -0.983 20 0 FBADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652459241 483790286 /nfs/dbraw/zinc/79/02/86/483790286.db2.gz CUKCZUVYNFWLST-GJZGRUSLSA-N 2 0 367.494 -0.983 20 0 FBADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652459242 483790194 /nfs/dbraw/zinc/79/01/94/483790194.db2.gz CUKCZUVYNFWLST-HUUCEWRRSA-N 2 0 367.494 -0.983 20 0 FBADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652459243 483790187 /nfs/dbraw/zinc/79/01/87/483790187.db2.gz CUKCZUVYNFWLST-LSDHHAIUSA-N 2 0 367.494 -0.983 20 0 FBADRP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC[N@@H+]1C ZINC000652460805 483791005 /nfs/dbraw/zinc/79/10/05/483791005.db2.gz HILVPHHUKVVKIF-CABCVRRESA-N 2 0 367.494 -0.840 20 0 FBADRP C[C@H]1C[C@@H](N(C)C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC[N@@H+]1C ZINC000652460806 483791180 /nfs/dbraw/zinc/79/11/80/483791180.db2.gz HILVPHHUKVVKIF-GJZGRUSLSA-N 2 0 367.494 -0.840 20 0 FBADRP C[C@@H]1C[C@H](N(C)C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC[N@@H+]1C ZINC000652460807 483791156 /nfs/dbraw/zinc/79/11/56/483791156.db2.gz HILVPHHUKVVKIF-HUUCEWRRSA-N 2 0 367.494 -0.840 20 0 FBADRP C[C@H]1C[C@H](N(C)C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC[N@@H+]1C ZINC000652460808 483790949 /nfs/dbraw/zinc/79/09/49/483790949.db2.gz HILVPHHUKVVKIF-LSDHHAIUSA-N 2 0 367.494 -0.840 20 0 FBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652466548 483790716 /nfs/dbraw/zinc/79/07/16/483790716.db2.gz WZFKCSAKPQXHIE-UHFFFAOYSA-N 2 0 355.483 -0.981 20 0 FBADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC000652469007 483792549 /nfs/dbraw/zinc/79/25/49/483792549.db2.gz ZNEFVNYXVJALMT-HNNXBMFYSA-N 2 0 367.494 -0.981 20 0 FBADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC000652469008 483792586 /nfs/dbraw/zinc/79/25/86/483792586.db2.gz ZNEFVNYXVJALMT-OAHLLOKOSA-N 2 0 367.494 -0.981 20 0 FBADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652472724 483793497 /nfs/dbraw/zinc/79/34/97/483793497.db2.gz BQAFJTRNMGQOJI-UHFFFAOYSA-N 2 0 369.510 -0.591 20 0 FBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652472732 483793407 /nfs/dbraw/zinc/79/34/07/483793407.db2.gz CCMDPRAWCBLAHG-UHFFFAOYSA-N 2 0 355.483 -0.983 20 0 FBADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652484156 483796060 /nfs/dbraw/zinc/79/60/60/483796060.db2.gz MBUXOXNAAZGRAH-UHFFFAOYSA-N 2 0 367.494 -0.839 20 0 FBADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC000652486181 483795767 /nfs/dbraw/zinc/79/57/67/483795767.db2.gz NGKHOGNOXSOPCG-HNNXBMFYSA-N 2 0 367.494 -0.792 20 0 FBADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC000652486182 483795617 /nfs/dbraw/zinc/79/56/17/483795617.db2.gz NGKHOGNOXSOPCG-OAHLLOKOSA-N 2 0 367.494 -0.792 20 0 FBADRP CC(C)[NH2+]C1CCN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC1 ZINC000652486200 483795692 /nfs/dbraw/zinc/79/56/92/483795692.db2.gz RFUWDTMAXWGQKX-UHFFFAOYSA-N 2 0 367.494 -0.792 20 0 FBADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC000652486973 483795687 /nfs/dbraw/zinc/79/56/87/483795687.db2.gz JYDYIJFNBFVMPB-HNNXBMFYSA-N 2 0 367.494 -0.840 20 0 FBADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC000652486974 483795965 /nfs/dbraw/zinc/79/59/65/483795965.db2.gz JYDYIJFNBFVMPB-OAHLLOKOSA-N 2 0 367.494 -0.840 20 0 FBADRP CCCN(C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)[C@H]1CC[N@H+](C)C1 ZINC000652494219 483796222 /nfs/dbraw/zinc/79/62/22/483796222.db2.gz ZHLKUQUQTKORKJ-HNNXBMFYSA-N 2 0 367.494 -0.839 20 0 FBADRP CCCN(C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)[C@@H]1CC[N@H+](C)C1 ZINC000652494220 483796388 /nfs/dbraw/zinc/79/63/88/483796388.db2.gz ZHLKUQUQTKORKJ-OAHLLOKOSA-N 2 0 367.494 -0.839 20 0 FBADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652505349 483797979 /nfs/dbraw/zinc/79/79/79/483797979.db2.gz GJEJEEXOFFKMIR-UHFFFAOYSA-N 2 0 367.494 -0.837 20 0 FBADRP C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCC(C[NH+](C)C)CC2)CC1=O ZINC000652505463 483798392 /nfs/dbraw/zinc/79/83/92/483798392.db2.gz VRSGBMLHIILLAY-UHFFFAOYSA-N 2 0 367.494 -0.981 20 0 FBADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652505489 483798059 /nfs/dbraw/zinc/79/80/59/483798059.db2.gz YNSHLAMXMMIWNI-UHFFFAOYSA-N 2 0 369.510 -0.687 20 0 FBADRP C[NH+](C)CCn1cc(NC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)cn1 ZINC000652612219 483818910 /nfs/dbraw/zinc/81/89/10/483818910.db2.gz LVLONEOFCYRTGS-CYBMUJFWSA-N 2 0 351.455 -0.237 20 0 FBADRP C[NH+](C)CCn1cc(NC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)cn1 ZINC000652612220 483819092 /nfs/dbraw/zinc/81/90/92/483819092.db2.gz LVLONEOFCYRTGS-ZDUSSCGKSA-N 2 0 351.455 -0.237 20 0 FBADRP COC[C@@]1(CNC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CCC[NH2+]1 ZINC000652623267 483821100 /nfs/dbraw/zinc/82/11/00/483821100.db2.gz FACRMXPUVSVKSW-INIZCTEOSA-N 2 0 352.439 -0.732 20 0 FBADRP COC[C@]1(CNC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CCC[NH2+]1 ZINC000652623268 483821248 /nfs/dbraw/zinc/82/12/48/483821248.db2.gz FACRMXPUVSVKSW-MRXNPFEDSA-N 2 0 352.439 -0.732 20 0 FBADRP CCO[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C[C@H]1C[NH3+] ZINC000652636145 483831696 /nfs/dbraw/zinc/83/16/96/483831696.db2.gz XSMQJXZURAXSRT-TZMCWYRMSA-N 2 0 352.439 -0.795 20 0 FBADRP CCO[C@@H]1CN(C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)C[C@H]1C[NH3+] ZINC000652636293 483831735 /nfs/dbraw/zinc/83/17/35/483831735.db2.gz CCUIZEXSQFVEEF-TZMCWYRMSA-N 2 0 358.402 -0.550 20 0 FBADRP CCO[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000652668891 483878373 /nfs/dbraw/zinc/87/83/73/483878373.db2.gz PIABJVVAHGZTRB-ARFHVFGLSA-N 2 0 370.494 -0.574 20 0 FBADRP CCO[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)C[C@H]1C[NH3+] ZINC000652668892 483878326 /nfs/dbraw/zinc/87/83/26/483878326.db2.gz PIABJVVAHGZTRB-BZUAXINKSA-N 2 0 370.494 -0.574 20 0 FBADRP CCO[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C[C@H]1C[NH3+] ZINC000652669971 483880187 /nfs/dbraw/zinc/88/01/87/483880187.db2.gz ANBNENNRERWWCX-BZUAXINKSA-N 2 0 370.494 -0.718 20 0 FBADRP CCO[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C[C@H]1C[NH3+] ZINC000652669972 483880096 /nfs/dbraw/zinc/88/00/96/483880096.db2.gz ANBNENNRERWWCX-OWCLPIDISA-N 2 0 370.494 -0.718 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NCCC2CC[NH2+]CC2)C1 ZINC000652670438 483880952 /nfs/dbraw/zinc/88/09/52/483880952.db2.gz RXAKQDPITDNOOC-INIZCTEOSA-N 2 0 354.495 -0.035 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NCCC2CC[NH2+]CC2)C1 ZINC000652670439 483880928 /nfs/dbraw/zinc/88/09/28/483880928.db2.gz RXAKQDPITDNOOC-MRXNPFEDSA-N 2 0 354.495 -0.035 20 0 FBADRP CCO[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](CCOC)CC2)C[C@H]1C[NH3+] ZINC000652670478 483880949 /nfs/dbraw/zinc/88/09/49/483880949.db2.gz TYADFTFWOJVOHN-UKRRQHHQSA-N 2 0 356.467 -0.964 20 0 FBADRP O=C(NCCC1CC[NH2+]CC1)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000652671888 483882106 /nfs/dbraw/zinc/88/21/06/483882106.db2.gz RQKBBSVYZJHXKE-DLBZAZTESA-N 2 0 366.506 -0.014 20 0 FBADRP O=C(NCCC1CC[NH2+]CC1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000652671889 483882137 /nfs/dbraw/zinc/88/21/37/483882137.db2.gz RQKBBSVYZJHXKE-IAGOWNOFSA-N 2 0 366.506 -0.014 20 0 FBADRP O=C(NCCC1CC[NH2+]CC1)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000652671890 483881806 /nfs/dbraw/zinc/88/18/06/483881806.db2.gz RQKBBSVYZJHXKE-IRXDYDNUSA-N 2 0 366.506 -0.014 20 0 FBADRP O=C(NCCC1CC[NH2+]CC1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000652671891 483882162 /nfs/dbraw/zinc/88/21/62/483882162.db2.gz RQKBBSVYZJHXKE-SJORKVTESA-N 2 0 366.506 -0.014 20 0 FBADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NCCC3CC[NH2+]CC3)C2)CC1 ZINC000652673809 483888316 /nfs/dbraw/zinc/88/83/16/483888316.db2.gz AKJUORGQICPTAC-INIZCTEOSA-N 2 0 365.522 -0.223 20 0 FBADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)NCCC3CC[NH2+]CC3)C2)CC1 ZINC000652673810 483888007 /nfs/dbraw/zinc/88/80/07/483888007.db2.gz AKJUORGQICPTAC-MRXNPFEDSA-N 2 0 365.522 -0.223 20 0 FBADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NCCC3(C[NH3+])CC3)C2)CC1 ZINC000652673829 483887960 /nfs/dbraw/zinc/88/79/60/483887960.db2.gz AYWHTGGLDCASDP-AWEZNQCLSA-N 2 0 351.495 -0.484 20 0 FBADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)NCCC3(C[NH3+])CC3)C2)CC1 ZINC000652673830 483888157 /nfs/dbraw/zinc/88/81/57/483888157.db2.gz AYWHTGGLDCASDP-CQSZACIVSA-N 2 0 351.495 -0.484 20 0 FBADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCC(CC[NH3+])CC3)C2)CC1 ZINC000652674278 483888305 /nfs/dbraw/zinc/88/83/05/483888305.db2.gz RGCKKYSFLOVUFF-INIZCTEOSA-N 2 0 365.522 -0.142 20 0 FBADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCC(CC[NH3+])CC3)C2)CC1 ZINC000652674279 483888352 /nfs/dbraw/zinc/88/83/52/483888352.db2.gz RGCKKYSFLOVUFF-MRXNPFEDSA-N 2 0 365.522 -0.142 20 0 FBADRP C[N@H+](CCNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1)C1CC1 ZINC000652674581 483888331 /nfs/dbraw/zinc/88/83/31/483888331.db2.gz AVVRCLNIQNRUGW-DZKIICNBSA-N 2 0 352.479 -0.058 20 0 FBADRP C[N@H+](CCNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)C1CC1 ZINC000652674582 483888062 /nfs/dbraw/zinc/88/80/62/483888062.db2.gz AVVRCLNIQNRUGW-LZWOXQAQSA-N 2 0 352.479 -0.058 20 0 FBADRP C[N@H+](CCNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1)C1CC1 ZINC000652674583 483887938 /nfs/dbraw/zinc/88/79/38/483887938.db2.gz AVVRCLNIQNRUGW-OFQRWUPVSA-N 2 0 352.479 -0.058 20 0 FBADRP C[N@H+](CCNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1)C1CC1 ZINC000652674584 483888048 /nfs/dbraw/zinc/88/80/48/483888048.db2.gz AVVRCLNIQNRUGW-SQWLQELKSA-N 2 0 352.479 -0.058 20 0 FBADRP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)NCCC3(C[NH3+])CC3)cn2)CC1 ZINC000652675976 483888840 /nfs/dbraw/zinc/88/88/40/483888840.db2.gz LGMKGVLDNVYAAP-UHFFFAOYSA-N 2 0 374.489 -0.305 20 0 FBADRP CC(C)[C@H](CNC(=O)C(=O)NCCC1(C[NH3+])CC1)N1CC[NH+](C)CC1 ZINC000652676813 483889197 /nfs/dbraw/zinc/88/91/97/483889197.db2.gz HTKQCBDHDIYBOU-HNNXBMFYSA-N 2 0 353.511 -0.380 20 0 FBADRP CC(C)[C@@H](CNC(=O)C(=O)NCCC1(C[NH3+])CC1)N1CC[NH+](C)CC1 ZINC000652676817 483889241 /nfs/dbraw/zinc/88/92/41/483889241.db2.gz HTKQCBDHDIYBOU-OAHLLOKOSA-N 2 0 353.511 -0.380 20 0 FBADRP CC(C)[C@H](CNC(=O)C(=O)NCCC1CC[NH2+]CC1)N1CC[NH+](C)CC1 ZINC000652677187 483889227 /nfs/dbraw/zinc/88/92/27/483889227.db2.gz SLAUKBJZAHMLGE-KRWDZBQOSA-N 2 0 367.538 -0.120 20 0 FBADRP CC(C)[C@@H](CNC(=O)C(=O)NCCC1CC[NH2+]CC1)N1CC[NH+](C)CC1 ZINC000652677188 483889339 /nfs/dbraw/zinc/88/93/39/483889339.db2.gz SLAUKBJZAHMLGE-QGZVFWFLSA-N 2 0 367.538 -0.120 20 0 FBADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652678885 483895552 /nfs/dbraw/zinc/89/55/52/483895552.db2.gz SIXDUADSSFLXLF-UHFFFAOYSA-N 2 0 353.511 -0.366 20 0 FBADRP C[NH+]1CCN(c2cc(CNC(=O)C(=O)NCCC3(C[NH3+])CC3)ccn2)CC1 ZINC000652678925 483895831 /nfs/dbraw/zinc/89/58/31/483895831.db2.gz TUJWXPVHYBIUQA-UHFFFAOYSA-N 2 0 374.489 -0.305 20 0 FBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)NCCC2CC[NH2+]CC2)CC1(C)C ZINC000652679143 483894963 /nfs/dbraw/zinc/89/49/63/483894963.db2.gz YLWIGOULIYZIEF-UHFFFAOYSA-N 2 0 353.511 -0.366 20 0 FBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)NCCC2CC[NH2+]CC2)C1 ZINC000652681660 483899314 /nfs/dbraw/zinc/89/93/14/483899314.db2.gz QFNZOWLNYDOVEW-HNNXBMFYSA-N 2 0 367.494 -0.804 20 0 FBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)NCCC2CC[NH2+]CC2)C1 ZINC000652681661 483899302 /nfs/dbraw/zinc/89/93/02/483899302.db2.gz QFNZOWLNYDOVEW-OAHLLOKOSA-N 2 0 367.494 -0.804 20 0 FBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652681884 483899088 /nfs/dbraw/zinc/89/90/88/483899088.db2.gz WUNPPKYDHOKBDG-ARFHVFGLSA-N 2 0 370.494 -0.574 20 0 FBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652681885 483899511 /nfs/dbraw/zinc/89/95/11/483899511.db2.gz WUNPPKYDHOKBDG-HRCADAONSA-N 2 0 370.494 -0.574 20 0 FBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652681886 483899378 /nfs/dbraw/zinc/89/93/78/483899378.db2.gz WUNPPKYDHOKBDG-JYJNAYRXSA-N 2 0 370.494 -0.574 20 0 FBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652681887 483899080 /nfs/dbraw/zinc/89/90/80/483899080.db2.gz WUNPPKYDHOKBDG-XHSDSOJGSA-N 2 0 370.494 -0.574 20 0 FBADRP CCO[C@@H]1CN(C(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@H]1C[NH3+] ZINC000652682336 483900155 /nfs/dbraw/zinc/90/01/55/483900155.db2.gz IFSXAZKGCGISEM-MOTUXRJWSA-N 2 0 352.479 -0.060 20 0 FBADRP CCO[C@@H]1CN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)C[C@H]1C[NH3+] ZINC000652683779 483902078 /nfs/dbraw/zinc/90/20/78/483902078.db2.gz XNDITEGTBVBZFI-HUUCEWRRSA-N 2 0 356.467 -0.963 20 0 FBADRP CCO[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+]2CCOC)C[C@H]1C[NH3+] ZINC000652684137 483904670 /nfs/dbraw/zinc/90/46/70/483904670.db2.gz GDRZEVYOJLYIIJ-QLFBSQMISA-N 2 0 356.467 -0.964 20 0 FBADRP CCO[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCC[N@@H+]2CCOC)C[C@H]1C[NH3+] ZINC000652684138 483904931 /nfs/dbraw/zinc/90/49/31/483904931.db2.gz GDRZEVYOJLYIIJ-RBSFLKMASA-N 2 0 356.467 -0.964 20 0 FBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652684378 483906190 /nfs/dbraw/zinc/90/61/90/483906190.db2.gz MRLDTCIRKJOFHX-AWEZNQCLSA-N 2 0 367.494 -0.710 20 0 FBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652684379 483905880 /nfs/dbraw/zinc/90/58/80/483905880.db2.gz MRLDTCIRKJOFHX-CQSZACIVSA-N 2 0 367.494 -0.710 20 0 FBADRP CCO[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](CCCOC)CC2)C[C@H]1C[NH3+] ZINC000652684442 483907839 /nfs/dbraw/zinc/90/78/39/483907839.db2.gz NQUHLFOMDDZMKF-GDBMZVCRSA-N 2 0 370.494 -0.574 20 0 FBADRP CCO[C@@H]1CN(C(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)C[C@H]1C[NH3+] ZINC000652684782 483913925 /nfs/dbraw/zinc/91/39/25/483913925.db2.gz XBJUEGCETXEMLZ-PRLABOORSA-N 2 0 352.479 -0.058 20 0 FBADRP CCO[C@@H]1CN(C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)C[C@H]1C[NH3+] ZINC000652685746 483921677 /nfs/dbraw/zinc/92/16/77/483921677.db2.gz SGAIWXNEOKPVDU-IOASZLSFSA-N 2 0 358.508 -0.638 20 0 FBADRP CCO[C@@H]1CN(C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)C[C@H]1C[NH3+] ZINC000652685747 483922898 /nfs/dbraw/zinc/92/28/98/483922898.db2.gz SGAIWXNEOKPVDU-XJKCOSOUSA-N 2 0 358.508 -0.638 20 0 FBADRP CCO[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)C[C@H]1C[NH3+] ZINC000652687997 483960808 /nfs/dbraw/zinc/96/08/08/483960808.db2.gz SKPILFDUXNWZRJ-GDBMZVCRSA-N 2 0 352.479 -0.201 20 0 FBADRP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000652688043 483964426 /nfs/dbraw/zinc/96/44/26/483964426.db2.gz UHPZFSDXNKSRSI-INIZCTEOSA-N 2 0 352.479 -0.186 20 0 FBADRP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000652688044 483964762 /nfs/dbraw/zinc/96/47/62/483964762.db2.gz UHPZFSDXNKSRSI-MRXNPFEDSA-N 2 0 352.479 -0.186 20 0 FBADRP [NH3+]CC1(CCNC(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000652690694 483897418 /nfs/dbraw/zinc/89/74/18/483897418.db2.gz MGMSWNGJKUTSSV-UHFFFAOYSA-N 2 0 352.479 -0.007 20 0 FBADRP CCO[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)C[C@H]1C[NH3+] ZINC000652691949 483448749 /nfs/dbraw/zinc/44/87/49/483448749.db2.gz DSEQBZOHWKAUPR-FVQBIDKESA-N 2 0 352.479 -0.058 20 0 FBADRP CCO[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)C[C@H]1C[NH3+] ZINC000652691950 483448001 /nfs/dbraw/zinc/44/80/01/483448001.db2.gz DSEQBZOHWKAUPR-VNQPRFMTSA-N 2 0 352.479 -0.058 20 0 FBADRP CCO[C@@H]1CN(C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)C[C@H]1C[NH3+] ZINC000652693089 483473762 /nfs/dbraw/zinc/47/37/62/483473762.db2.gz LZWSPERMYCTNCI-GDBMZVCRSA-N 2 0 352.479 -0.201 20 0 FBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652693593 483552338 /nfs/dbraw/zinc/55/23/38/483552338.db2.gz YAYKLFITBZMANI-ARFHVFGLSA-N 2 0 370.494 -0.574 20 0 FBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652693594 483551839 /nfs/dbraw/zinc/55/18/39/483551839.db2.gz YAYKLFITBZMANI-HRCADAONSA-N 2 0 370.494 -0.574 20 0 FBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652693595 483551813 /nfs/dbraw/zinc/55/18/13/483551813.db2.gz YAYKLFITBZMANI-JYJNAYRXSA-N 2 0 370.494 -0.574 20 0 FBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652693596 483551825 /nfs/dbraw/zinc/55/18/25/483551825.db2.gz YAYKLFITBZMANI-XHSDSOJGSA-N 2 0 370.494 -0.574 20 0 FBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652693705 483551910 /nfs/dbraw/zinc/55/19/10/483551910.db2.gz BFSRIOHOHLINIL-INIZCTEOSA-N 2 0 367.538 -0.118 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652693706 483552635 /nfs/dbraw/zinc/55/26/35/483552635.db2.gz BFSRIOHOHLINIL-MRXNPFEDSA-N 2 0 367.538 -0.118 20 0 FBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652694058 483568481 /nfs/dbraw/zinc/56/84/81/483568481.db2.gz NEDSRZMAOZSFLW-HNNXBMFYSA-N 2 0 353.511 -0.379 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652694059 483568776 /nfs/dbraw/zinc/56/87/76/483568776.db2.gz NEDSRZMAOZSFLW-OAHLLOKOSA-N 2 0 353.511 -0.379 20 0 FBADRP C[C@@H](CNC(=O)C(=O)NCCC1CC[NH2+]CC1)C[NH+]1CCN(C)CC1 ZINC000652694232 483723986 /nfs/dbraw/zinc/72/39/86/483723986.db2.gz RSGWONWWAAKSQF-HNNXBMFYSA-N 2 0 353.511 -0.508 20 0 FBADRP C[C@H](CNC(=O)C(=O)NCCC1CC[NH2+]CC1)C[NH+]1CCN(C)CC1 ZINC000652694233 483723998 /nfs/dbraw/zinc/72/39/98/483723998.db2.gz RSGWONWWAAKSQF-OAHLLOKOSA-N 2 0 353.511 -0.508 20 0 FBADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000652706004 484253483 /nfs/dbraw/zinc/25/34/83/484253483.db2.gz SNFQTNWBELMCAI-HNNXBMFYSA-N 2 0 369.510 -0.606 20 0 FBADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000652706005 484253526 /nfs/dbraw/zinc/25/35/26/484253526.db2.gz SNFQTNWBELMCAI-OAHLLOKOSA-N 2 0 369.510 -0.606 20 0 FBADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000652706526 484252315 /nfs/dbraw/zinc/25/23/15/484252315.db2.gz DHQHWGFZBFCTST-JKSUJKDBSA-N 2 0 364.494 -0.233 20 0 FBADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652710346 484261578 /nfs/dbraw/zinc/26/15/78/484261578.db2.gz OPBDTKZVATUHSQ-INIZCTEOSA-N 2 0 365.522 -0.140 20 0 FBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652710347 484261230 /nfs/dbraw/zinc/26/12/30/484261230.db2.gz OPBDTKZVATUHSQ-MRXNPFEDSA-N 2 0 365.522 -0.140 20 0 FBADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652710523 484259920 /nfs/dbraw/zinc/25/99/20/484259920.db2.gz SBQIIOODMOVYAB-AWEZNQCLSA-N 2 0 352.479 -0.057 20 0 FBADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652710524 484259821 /nfs/dbraw/zinc/25/98/21/484259821.db2.gz SBQIIOODMOVYAB-CQSZACIVSA-N 2 0 352.479 -0.057 20 0 FBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCCC3(C[NH3+])CC3)CC2)C1 ZINC000652711372 484268606 /nfs/dbraw/zinc/26/86/06/484268606.db2.gz PTRDCAVBQNHYJK-HNNXBMFYSA-N 2 0 351.495 -0.530 20 0 FBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCCC3(C[NH3+])CC3)CC2)C1 ZINC000652711373 484268468 /nfs/dbraw/zinc/26/84/68/484268468.db2.gz PTRDCAVBQNHYJK-OAHLLOKOSA-N 2 0 351.495 -0.530 20 0 FBADRP [NH3+]CC1(CCNC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000652711458 484268368 /nfs/dbraw/zinc/26/83/68/484268368.db2.gz SAJFHRADSGJHBP-HNNXBMFYSA-N 2 0 352.479 -0.198 20 0 FBADRP [NH3+]CC1(CCNC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)CC1 ZINC000652712297 484271615 /nfs/dbraw/zinc/27/16/15/484271615.db2.gz NRVWQRJVFIQJOT-UHFFFAOYSA-N 2 0 352.479 -0.198 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652713356 484273686 /nfs/dbraw/zinc/27/36/86/484273686.db2.gz LZWOMSNSJNSMID-UHFFFAOYSA-N 2 0 367.494 -0.756 20 0 FBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652713421 484274341 /nfs/dbraw/zinc/27/43/41/484274341.db2.gz NTBPQCYNFJCSLW-UHFFFAOYSA-N 2 0 361.446 -0.016 20 0 FBADRP [NH3+]CC1(CCNC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)CC1 ZINC000652713726 484274216 /nfs/dbraw/zinc/27/42/16/484274216.db2.gz VXPULAMGCZKVKF-UHFFFAOYSA-N 2 0 352.479 -0.198 20 0 FBADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652714158 484274051 /nfs/dbraw/zinc/27/40/51/484274051.db2.gz FIWOLRBGGIURSH-UHFFFAOYSA-N 2 0 353.511 -0.284 20 0 FBADRP CN(C(=O)C(=O)NCCC1(C[NH3+])CC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000652714283 484275198 /nfs/dbraw/zinc/27/51/98/484275198.db2.gz HVDVOBHKLQOPGB-INIZCTEOSA-N 2 0 365.522 -0.142 20 0 FBADRP CN(C(=O)C(=O)NCCC1(C[NH3+])CC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000652714284 484276016 /nfs/dbraw/zinc/27/60/16/484276016.db2.gz HVDVOBHKLQOPGB-MRXNPFEDSA-N 2 0 365.522 -0.142 20 0 FBADRP [NH3+]CC1(CCNC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000652714794 484280419 /nfs/dbraw/zinc/28/04/19/484280419.db2.gz SAJFHRADSGJHBP-OAHLLOKOSA-N 2 0 352.479 -0.198 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)NCCC3(C[NH3+])CC3)CC2)c1 ZINC000652714878 484280044 /nfs/dbraw/zinc/28/00/44/484280044.db2.gz UFVHNINTCQGWOC-UHFFFAOYSA-N 2 0 361.446 -0.016 20 0 FBADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652723722 483464637 /nfs/dbraw/zinc/46/46/37/483464637.db2.gz JODCMVLAYDOLQS-UHFFFAOYSA-N 2 0 354.495 -0.203 20 0 FBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCCC3CC[NH2+]CC3)CC2)C1 ZINC000652724189 483473012 /nfs/dbraw/zinc/47/30/12/483473012.db2.gz YFWYXMZMHOQKHG-KRWDZBQOSA-N 2 0 365.522 -0.269 20 0 FBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCCC3CC[NH2+]CC3)CC2)C1 ZINC000652724190 483473657 /nfs/dbraw/zinc/47/36/57/483473657.db2.gz YFWYXMZMHOQKHG-QGZVFWFLSA-N 2 0 365.522 -0.269 20 0 FBADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652725648 483492916 /nfs/dbraw/zinc/49/29/16/483492916.db2.gz PLDWUOXJHGQXHH-UHFFFAOYSA-N 2 0 367.538 -0.023 20 0 FBADRP CCO[C@@H]1CN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C[C@H]1C[NH3+] ZINC000652726370 483496301 /nfs/dbraw/zinc/49/63/01/483496301.db2.gz VFZKQAYALNYCIH-GDBMZVCRSA-N 2 0 361.446 -0.448 20 0 FBADRP CCO[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)C[C@H]1C[NH3+] ZINC000652726894 483505957 /nfs/dbraw/zinc/50/59/57/483505957.db2.gz TYLXUYVXGSWVPG-GDBMZVCRSA-N 2 0 352.479 -0.105 20 0 FBADRP CCO[C@@H]1CN(C(=O)C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)C[C@H]1C[NH3+] ZINC000652727712 483528505 /nfs/dbraw/zinc/52/85/05/483528505.db2.gz CJRMXJUZOWINRS-FVQBIDKESA-N 2 0 354.495 -0.003 20 0 FBADRP CCO[C@@H]1CN(C(=O)C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)C[C@H]1C[NH3+] ZINC000652727713 483527890 /nfs/dbraw/zinc/52/78/90/483527890.db2.gz CJRMXJUZOWINRS-NUEKZKHPSA-N 2 0 354.495 -0.003 20 0 FBADRP CCO[C@@H]1CN(C(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)C[C@H]1C[NH3+] ZINC000652727767 483526155 /nfs/dbraw/zinc/52/61/55/483526155.db2.gz FNIBFAGUTBQDHQ-HZPDHXFCSA-N 2 0 354.495 -0.001 20 0 FBADRP CCO[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)C[C@H]1C[NH3+] ZINC000652728085 483546332 /nfs/dbraw/zinc/54/63/32/483546332.db2.gz SMCPLHJYROTZKJ-BZUAXINKSA-N 2 0 352.479 -0.105 20 0 FBADRP CCO[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)C[C@H]1C[NH3+] ZINC000652728086 483546278 /nfs/dbraw/zinc/54/62/78/483546278.db2.gz SMCPLHJYROTZKJ-OWCLPIDISA-N 2 0 352.479 -0.105 20 0 FBADRP CCO[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C[C@H]1C[NH3+] ZINC000652728513 483568657 /nfs/dbraw/zinc/56/86/57/483568657.db2.gz NSFMYSZTWXKVQO-BZUAXINKSA-N 2 0 352.479 -0.105 20 0 FBADRP CCO[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)C[C@H]1C[NH3+] ZINC000652728514 483569087 /nfs/dbraw/zinc/56/90/87/483569087.db2.gz NSFMYSZTWXKVQO-OWCLPIDISA-N 2 0 352.479 -0.105 20 0 FBADRP CCO[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)C[C@H]1C[NH3+] ZINC000652728570 483576081 /nfs/dbraw/zinc/57/60/81/483576081.db2.gz QQRAZKLAXSGMCT-BZUAXINKSA-N 2 0 370.494 -0.622 20 0 FBADRP CCO[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C[C@H]1C[NH3+] ZINC000652728571 483575422 /nfs/dbraw/zinc/57/54/22/483575422.db2.gz QQRAZKLAXSGMCT-OWCLPIDISA-N 2 0 370.494 -0.622 20 0 FBADRP CCO[C@@H]1CN(C(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)C[C@H]1C[NH3+] ZINC000652728827 483586660 /nfs/dbraw/zinc/58/66/60/483586660.db2.gz CAKLPYBRNARNMC-GDBMZVCRSA-N 2 0 370.494 -0.886 20 0 FBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CCC(CC[NH3+])CC3)CC2)C1 ZINC000652728902 483592877 /nfs/dbraw/zinc/59/28/77/483592877.db2.gz HFCWZIJEVNLVGZ-KRWDZBQOSA-N 2 0 365.522 -0.188 20 0 FBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CCC(CC[NH3+])CC3)CC2)C1 ZINC000652728903 483590790 /nfs/dbraw/zinc/59/07/90/483590790.db2.gz HFCWZIJEVNLVGZ-QGZVFWFLSA-N 2 0 365.522 -0.188 20 0 FBADRP CCO[C@@H]1CN(C(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)C[C@H]1C[NH3+] ZINC000652728994 483597758 /nfs/dbraw/zinc/59/77/58/483597758.db2.gz KWAAZNVNRMKDDB-GDBMZVCRSA-N 2 0 370.494 -0.622 20 0 FBADRP CCO[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)C[C@H]1C[NH3+] ZINC000652729180 483617906 /nfs/dbraw/zinc/61/79/06/483617906.db2.gz VKSLBJZUGZTNAX-BZUAXINKSA-N 2 0 352.479 -0.105 20 0 FBADRP CCO[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)C[C@H]1C[NH3+] ZINC000652729181 483617605 /nfs/dbraw/zinc/61/76/05/483617605.db2.gz VKSLBJZUGZTNAX-OWCLPIDISA-N 2 0 352.479 -0.105 20 0 FBADRP CCO[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)C[C@H]1C[NH3+] ZINC000652729333 483632947 /nfs/dbraw/zinc/63/29/47/483632947.db2.gz AXYNVQUEOAREEP-KLHDSHLOSA-N 2 0 354.495 -0.003 20 0 FBADRP CCO[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](CC)C[C@H]2C)C[C@H]1C[NH3+] ZINC000652729334 483633740 /nfs/dbraw/zinc/63/37/40/483633740.db2.gz AXYNVQUEOAREEP-LVQVYYBASA-N 2 0 354.495 -0.003 20 0 FBADRP CCO[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)C[C@H]1C[NH3+] ZINC000652729335 483633831 /nfs/dbraw/zinc/63/38/31/483633831.db2.gz AXYNVQUEOAREEP-XUWVNRHRSA-N 2 0 354.495 -0.003 20 0 FBADRP CCO[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)C[C@H]1C[NH3+] ZINC000652729336 483632732 /nfs/dbraw/zinc/63/27/32/483632732.db2.gz AXYNVQUEOAREEP-ZJIFWQFVSA-N 2 0 354.495 -0.003 20 0 FBADRP CCO[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C[C@H]1C[NH3+] ZINC000652729632 483658775 /nfs/dbraw/zinc/65/87/75/483658775.db2.gz NNZWQTWZQKOAKB-ARFHVFGLSA-N 2 0 352.479 -0.247 20 0 FBADRP CCO[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C[C@H]1C[NH3+] ZINC000652729633 483658315 /nfs/dbraw/zinc/65/83/15/483658315.db2.gz NNZWQTWZQKOAKB-BZUAXINKSA-N 2 0 352.479 -0.247 20 0 FBADRP CCO[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)C[C@H]1C[NH3+] ZINC000652729784 483675787 /nfs/dbraw/zinc/67/57/87/483675787.db2.gz VABUVXROIFUYLJ-GDBMZVCRSA-N 2 0 366.462 -0.008 20 0 FBADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](OCC)C2)C1 ZINC000652729919 483680224 /nfs/dbraw/zinc/68/02/24/483680224.db2.gz AHVSZGNYALOROF-ARFHVFGLSA-N 2 0 354.495 -0.001 20 0 FBADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](OCC)C2)C1 ZINC000652729920 483679539 /nfs/dbraw/zinc/67/95/39/483679539.db2.gz AHVSZGNYALOROF-BZUAXINKSA-N 2 0 354.495 -0.001 20 0 FBADRP CCO[C@@H]1CN(C(=O)C(=O)N2CCCC23CC[NH+](C)CC3)C[C@H]1C[NH3+] ZINC000652730061 483682409 /nfs/dbraw/zinc/68/24/09/483682409.db2.gz GZUGVZIXCDOQRY-HUUCEWRRSA-N 2 0 352.479 -0.105 20 0 FBADRP CCO[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)C[C@H]1C[NH3+] ZINC000652730354 483684666 /nfs/dbraw/zinc/68/46/66/483684666.db2.gz VEDVFOCPQRBIQI-KLHDSHLOSA-N 2 0 352.479 -0.249 20 0 FBADRP CCO[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)C[C@H]1C[NH3+] ZINC000652730355 483684613 /nfs/dbraw/zinc/68/46/13/483684613.db2.gz VEDVFOCPQRBIQI-LVQVYYBASA-N 2 0 352.479 -0.249 20 0 FBADRP CCO[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)C[C@H]1C[NH3+] ZINC000652730356 483684742 /nfs/dbraw/zinc/68/47/42/483684742.db2.gz VEDVFOCPQRBIQI-XUWVNRHRSA-N 2 0 352.479 -0.249 20 0 FBADRP CCO[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)C[C@H]1C[NH3+] ZINC000652730357 483684479 /nfs/dbraw/zinc/68/44/79/483684479.db2.gz VEDVFOCPQRBIQI-ZJIFWQFVSA-N 2 0 352.479 -0.249 20 0 FBADRP CCO[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)C[C@H]1C[NH3+] ZINC000652730404 483684549 /nfs/dbraw/zinc/68/45/49/483684549.db2.gz XWXXLFNDBAXKKT-BRWVUGGUSA-N 2 0 366.506 -0.001 20 0 FBADRP CCO[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)C[C@H]1C[NH3+] ZINC000652730405 483684249 /nfs/dbraw/zinc/68/42/49/483684249.db2.gz XWXXLFNDBAXKKT-GVDBMIGSSA-N 2 0 366.506 -0.001 20 0 FBADRP CCO[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)C[C@H]1C[NH3+] ZINC000652730532 483685469 /nfs/dbraw/zinc/68/54/69/483685469.db2.gz FJPVQJXECGMBHH-KLHDSHLOSA-N 2 0 352.479 -0.249 20 0 FBADRP CCO[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)C[C@H]1C[NH3+] ZINC000652730533 483685410 /nfs/dbraw/zinc/68/54/10/483685410.db2.gz FJPVQJXECGMBHH-LVQVYYBASA-N 2 0 352.479 -0.249 20 0 FBADRP CCO[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)C[C@H]1C[NH3+] ZINC000652730534 483685181 /nfs/dbraw/zinc/68/51/81/483685181.db2.gz FJPVQJXECGMBHH-XUWVNRHRSA-N 2 0 352.479 -0.249 20 0 FBADRP CCO[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)C[C@H]1C[NH3+] ZINC000652730535 483685438 /nfs/dbraw/zinc/68/54/38/483685438.db2.gz FJPVQJXECGMBHH-ZJIFWQFVSA-N 2 0 352.479 -0.249 20 0 FBADRP CCO[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)C[C@H]1C[NH3+] ZINC000652730691 483685771 /nfs/dbraw/zinc/68/57/71/483685771.db2.gz MCTMTPGPMMAZGN-BRWVUGGUSA-N 2 0 366.506 -0.001 20 0 FBADRP CCO[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)C[C@H]1C[NH3+] ZINC000652730692 483685724 /nfs/dbraw/zinc/68/57/24/483685724.db2.gz MCTMTPGPMMAZGN-GVDBMIGSSA-N 2 0 366.506 -0.001 20 0 FBADRP COCCOCCN1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC000652731430 483692929 /nfs/dbraw/zinc/69/29/29/483692929.db2.gz KDEANFHWIKVMNR-IYBDPMFKSA-N 2 0 368.478 -0.854 20 0 FBADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000652731603 483695145 /nfs/dbraw/zinc/69/51/45/483695145.db2.gz OSUIQAHESYJGEG-HNNXBMFYSA-N 2 0 367.494 -0.756 20 0 FBADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000652731604 483695101 /nfs/dbraw/zinc/69/51/01/483695101.db2.gz OSUIQAHESYJGEG-OAHLLOKOSA-N 2 0 367.494 -0.756 20 0 FBADRP C[NH+](C)CCN1CCN(C(=O)c2cccc(N3CC[NH+](C)CC3)n2)CC1=O ZINC000652734257 483778511 /nfs/dbraw/zinc/77/85/11/483778511.db2.gz CMSBTOWQKUBOEN-UHFFFAOYSA-N 2 0 374.489 -0.321 20 0 FBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@H]([C@@H]4C[C@H]([NH3+])CCO4)C3)C[C@@H]21 ZINC000652734408 483780334 /nfs/dbraw/zinc/78/03/34/483780334.db2.gz JVTPBDGWTKYMGJ-ALYAQQCSSA-N 2 0 364.490 -0.106 20 0 FBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@H]([C@H]4C[C@H]([NH3+])CCO4)C3)C[C@@H]21 ZINC000652734409 483780400 /nfs/dbraw/zinc/78/04/00/483780400.db2.gz JVTPBDGWTKYMGJ-BPKGMFCQSA-N 2 0 364.490 -0.106 20 0 FBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@H]([C@H]4C[C@@H]([NH3+])CCO4)C3)C[C@@H]21 ZINC000652734410 483780070 /nfs/dbraw/zinc/78/00/70/483780070.db2.gz JVTPBDGWTKYMGJ-JSRQGNBESA-N 2 0 364.490 -0.106 20 0 FBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@H]([C@@H]4C[C@@H]([NH3+])CCO4)C3)C[C@@H]21 ZINC000652734411 483780110 /nfs/dbraw/zinc/78/01/10/483780110.db2.gz JVTPBDGWTKYMGJ-XAJHFOFHSA-N 2 0 364.490 -0.106 20 0 FBADRP C[NH+](C)CCOc1cc(C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)ccn1 ZINC000652734437 483780643 /nfs/dbraw/zinc/78/06/43/483780643.db2.gz KJQWDRDWQHKOCC-UHFFFAOYSA-N 2 0 363.462 -0.132 20 0 FBADRP C[NH+](C)CCN1CCN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1=O ZINC000652735827 483790316 /nfs/dbraw/zinc/79/03/16/483790316.db2.gz VCZARESPPTYUTA-FQEVSTJZSA-N 2 0 374.485 -0.144 20 0 FBADRP C[NH+](C)CCN1CCN(C(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1=O ZINC000652735828 483790820 /nfs/dbraw/zinc/79/08/20/483790820.db2.gz VCZARESPPTYUTA-HXUWFJFHSA-N 2 0 374.485 -0.144 20 0 FBADRP C[NH+](C)CCN1CCN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC1=O ZINC000652735897 483791244 /nfs/dbraw/zinc/79/12/44/483791244.db2.gz WZZLZYODBPNQDT-UHFFFAOYSA-N 2 0 374.489 -0.321 20 0 FBADRP CCO[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)C[C@H]1C[NH3+] ZINC000652736715 483799212 /nfs/dbraw/zinc/79/92/12/483799212.db2.gz NJDULVVLTYNEJO-IIDMSEBBSA-N 2 0 352.479 -0.247 20 0 FBADRP CCO[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)C[C@H]1C[NH3+] ZINC000652736716 483799182 /nfs/dbraw/zinc/79/91/82/483799182.db2.gz NJDULVVLTYNEJO-RKVPGOIHSA-N 2 0 352.479 -0.247 20 0 FBADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000652737627 483808040 /nfs/dbraw/zinc/80/80/40/483808040.db2.gz ORWNWTRJNFJYSV-INIZCTEOSA-N 2 0 351.495 -0.563 20 0 FBADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000652737628 483807858 /nfs/dbraw/zinc/80/78/58/483807858.db2.gz ORWNWTRJNFJYSV-MRXNPFEDSA-N 2 0 351.495 -0.563 20 0 FBADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000652737658 483808495 /nfs/dbraw/zinc/80/84/95/483808495.db2.gz PVWTXVUAPDGERJ-INIZCTEOSA-N 2 0 351.495 -0.563 20 0 FBADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000652737659 483808629 /nfs/dbraw/zinc/80/86/29/483808629.db2.gz PVWTXVUAPDGERJ-MRXNPFEDSA-N 2 0 351.495 -0.563 20 0 FBADRP COCC[N@@H+]1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)C(C)(C)C1 ZINC000652926312 484219258 /nfs/dbraw/zinc/21/92/58/484219258.db2.gz UUFZNAVKTVVHKE-HNNXBMFYSA-N 2 0 354.495 -0.034 20 0 FBADRP COCC[N@@H+]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C(C)(C)C1 ZINC000652926313 484219436 /nfs/dbraw/zinc/21/94/36/484219436.db2.gz UUFZNAVKTVVHKE-OAHLLOKOSA-N 2 0 354.495 -0.034 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1nc(N)nc(N(C)C)n1 ZINC000653017969 484502055 /nfs/dbraw/zinc/50/20/55/484502055.db2.gz FSTQDNONTUPIQJ-CYBMUJFWSA-N 2 0 364.498 -0.162 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1nc(N)nc(N(C)C)n1 ZINC000653017970 484502213 /nfs/dbraw/zinc/50/22/13/484502213.db2.gz FSTQDNONTUPIQJ-ZDUSSCGKSA-N 2 0 364.498 -0.162 20 0 FBADRP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)[C@]23C[NH2+]C[C@H]2COC3)c1 ZINC000653046055 484516624 /nfs/dbraw/zinc/51/66/24/484516624.db2.gz DNAXJRDWAZDHAC-NHYWBVRUSA-N 2 0 354.432 -0.902 20 0 FBADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)c1 ZINC000653113695 483607985 /nfs/dbraw/zinc/60/79/85/483607985.db2.gz LPYINPKKVRACOH-LPHOPBHVSA-N 2 0 360.458 -0.170 20 0 FBADRP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)cc1 ZINC000653118166 483611510 /nfs/dbraw/zinc/61/15/10/483611510.db2.gz DNTBJSYSZHZJNV-LPHOPBHVSA-N 2 0 360.458 -0.170 20 0 FBADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000653123975 483615549 /nfs/dbraw/zinc/61/55/49/483615549.db2.gz NBWOWKGYLHPSLM-KXBFYZLASA-N 2 0 366.506 -0.035 20 0 FBADRP O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653124692 483615413 /nfs/dbraw/zinc/61/54/13/483615413.db2.gz DXLNIDAEMLCMKB-LPHOPBHVSA-N 2 0 374.489 -0.269 20 0 FBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653124834 483614548 /nfs/dbraw/zinc/61/45/48/483614548.db2.gz INNZHTDWHMOPCL-LPHOPBHVSA-N 3 0 359.474 -0.054 20 0 FBADRP O=C(NC[C@@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)C1)[C@H]1CCC[NH2+]1 ZINC000653127071 483617132 /nfs/dbraw/zinc/61/71/32/483617132.db2.gz YCMCFLWLTQFMPA-AFIMGQEJSA-N 2 0 350.463 -0.671 20 0 FBADRP O=C(NC[C@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)C1)[C@H]1CCC[NH2+]1 ZINC000653127072 483616477 /nfs/dbraw/zinc/61/64/77/483616477.db2.gz YCMCFLWLTQFMPA-FSZRXZPDSA-N 2 0 350.463 -0.671 20 0 FBADRP O=C(NC[C@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)C1)[C@@H]1CCC[NH2+]1 ZINC000653127073 483616768 /nfs/dbraw/zinc/61/67/68/483616768.db2.gz YCMCFLWLTQFMPA-LLDVTBCESA-N 2 0 350.463 -0.671 20 0 FBADRP O=C(NC[C@@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)C1)[C@@H]1CCC[NH2+]1 ZINC000653127074 483616938 /nfs/dbraw/zinc/61/69/38/483616938.db2.gz YCMCFLWLTQFMPA-XSWJXKHESA-N 2 0 350.463 -0.671 20 0 FBADRP [NH3+]C1(CNC(=O)[C@@H]2CCS(=O)(=O)N2)CC[NH+](Cc2ccccc2)CC1 ZINC000653164392 483832300 /nfs/dbraw/zinc/83/23/00/483832300.db2.gz IFXQOGRQAVCEJQ-HNNXBMFYSA-N 2 0 366.487 -0.212 20 0 FBADRP [NH3+]C1(CNC(=O)[C@H]2CCS(=O)(=O)N2)CC[NH+](Cc2ccccc2)CC1 ZINC000653164393 483832099 /nfs/dbraw/zinc/83/20/99/483832099.db2.gz IFXQOGRQAVCEJQ-OAHLLOKOSA-N 2 0 366.487 -0.212 20 0 FBADRP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000653340154 483909850 /nfs/dbraw/zinc/90/98/50/483909850.db2.gz BYCQBMOLDXZMHW-INIZCTEOSA-N 2 0 368.526 -0.572 20 0 FBADRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000653340155 483909570 /nfs/dbraw/zinc/90/95/70/483909570.db2.gz BYCQBMOLDXZMHW-MRXNPFEDSA-N 2 0 368.526 -0.572 20 0 FBADRP CC(C)[NH+](CCNC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)C(C)C ZINC000653352496 483659512 /nfs/dbraw/zinc/65/95/12/483659512.db2.gz BKBVMTRZPNKFOW-UHFFFAOYSA-N 2 0 369.510 -0.546 20 0 FBADRP C[NH+](C)CCN1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCCC2)CC1=O ZINC000653354154 483679586 /nfs/dbraw/zinc/67/95/86/483679586.db2.gz PZXPAPUQAUZFEG-UHFFFAOYSA-N 2 0 367.494 -0.791 20 0 FBADRP CC(C)[NH+]1CCC(NC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC1 ZINC000653354418 483680941 /nfs/dbraw/zinc/68/09/41/483680941.db2.gz WGFUIFVNTFEHMO-UHFFFAOYSA-N 2 0 367.494 -0.792 20 0 FBADRP C[NH+](C)CCN1CCN(C(=O)C(=O)NCCC[NH+]2CCCCC2)CC1=O ZINC000653357968 483686708 /nfs/dbraw/zinc/68/67/08/483686708.db2.gz BITNORMCCGJGMX-UHFFFAOYSA-N 2 0 367.494 -0.789 20 0 FBADRP CC1CC[NH+](CCNC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC1 ZINC000653369083 483820212 /nfs/dbraw/zinc/82/02/12/483820212.db2.gz JOGGJLVGERUHAG-UHFFFAOYSA-N 2 0 367.494 -0.933 20 0 FBADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000653369280 483820308 /nfs/dbraw/zinc/82/03/08/483820308.db2.gz OTINYJYISKOYGM-HNNXBMFYSA-N 2 0 367.494 -0.791 20 0 FBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000653369281 483820269 /nfs/dbraw/zinc/82/02/69/483820269.db2.gz OTINYJYISKOYGM-OAHLLOKOSA-N 2 0 367.494 -0.791 20 0 FBADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC000653369907 483821632 /nfs/dbraw/zinc/82/16/32/483821632.db2.gz ZLVXWMNNBSBAOI-HNNXBMFYSA-N 2 0 367.494 -0.933 20 0 FBADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC000653369908 483821732 /nfs/dbraw/zinc/82/17/32/483821732.db2.gz ZLVXWMNNBSBAOI-OAHLLOKOSA-N 2 0 367.494 -0.933 20 0 FBADRP C[C@@H](CNC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)C[NH+]1CCCC1 ZINC000653376604 483827620 /nfs/dbraw/zinc/82/76/20/483827620.db2.gz FYOWNBHCRLVYHL-HNNXBMFYSA-N 2 0 367.494 -0.933 20 0 FBADRP C[C@H](CNC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)C[NH+]1CCCC1 ZINC000653376605 483827898 /nfs/dbraw/zinc/82/78/98/483827898.db2.gz FYOWNBHCRLVYHL-OAHLLOKOSA-N 2 0 367.494 -0.933 20 0 FBADRP C[C@@H](CNC(=O)C(=O)N(C)CC[NH+]1CCCCC1)C[NH+]1CCN(C)CC1 ZINC000653377417 483830087 /nfs/dbraw/zinc/83/00/87/483830087.db2.gz YKBZYYBQNPCQBP-KRWDZBQOSA-N 2 0 367.538 -0.070 20 0 FBADRP C[C@H](CNC(=O)C(=O)N(C)CC[NH+]1CCCCC1)C[NH+]1CCN(C)CC1 ZINC000653377418 483829861 /nfs/dbraw/zinc/82/98/61/483829861.db2.gz YKBZYYBQNPCQBP-QGZVFWFLSA-N 2 0 367.538 -0.070 20 0 FBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000653379361 483831081 /nfs/dbraw/zinc/83/10/81/483831081.db2.gz PVLYDKGXOVFRSS-AWEZNQCLSA-N 2 0 355.483 -0.935 20 0 FBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000653379362 483831248 /nfs/dbraw/zinc/83/12/48/483831248.db2.gz PVLYDKGXOVFRSS-CQSZACIVSA-N 2 0 355.483 -0.935 20 0 FBADRP CC[NH+]1CCC(CNC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC1 ZINC000653380748 483831551 /nfs/dbraw/zinc/83/15/51/483831551.db2.gz YVKDOEKUCLJTDZ-UHFFFAOYSA-N 2 0 367.494 -0.933 20 0 FBADRP C[NH+](C)CCN1CCN(C(=O)C(=O)NCCC2CC[NH+](C)CC2)CC1=O ZINC000653384352 483838731 /nfs/dbraw/zinc/83/87/31/483838731.db2.gz PXJAXJKVIUDMMT-UHFFFAOYSA-N 2 0 367.494 -0.933 20 0 FBADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000653385782 483842502 /nfs/dbraw/zinc/84/25/02/483842502.db2.gz GRLAPBIXEZXKJD-UHFFFAOYSA-N 2 0 355.483 -0.933 20 0 FBADRP C[C@H](NC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)C1CC[NH+](C)CC1 ZINC000653386590 483844865 /nfs/dbraw/zinc/84/48/65/483844865.db2.gz DNUMFINIKKBZHW-AWEZNQCLSA-N 2 0 367.494 -0.935 20 0 FBADRP C[C@@H](NC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)C1CC[NH+](C)CC1 ZINC000653386591 483845011 /nfs/dbraw/zinc/84/50/11/483845011.db2.gz DNUMFINIKKBZHW-CQSZACIVSA-N 2 0 367.494 -0.935 20 0 FBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000653388807 483846908 /nfs/dbraw/zinc/84/69/08/483846908.db2.gz MHOYGZUSJKDAKR-AWEZNQCLSA-N 2 0 355.483 -0.935 20 0 FBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000653388808 483846848 /nfs/dbraw/zinc/84/68/48/483846848.db2.gz MHOYGZUSJKDAKR-CQSZACIVSA-N 2 0 355.483 -0.935 20 0 FBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000653390070 483850411 /nfs/dbraw/zinc/85/04/11/483850411.db2.gz RJAMCDDBBCNKJK-HNNXBMFYSA-N 2 0 367.494 -0.791 20 0 FBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000653390071 483850311 /nfs/dbraw/zinc/85/03/11/483850311.db2.gz RJAMCDDBBCNKJK-OAHLLOKOSA-N 2 0 367.494 -0.791 20 0 FBADRP C[NH+](C)CCN1CCN(C(=O)C(=O)NCC[N@H+](C)C2CCCC2)CC1=O ZINC000653392257 483851136 /nfs/dbraw/zinc/85/11/36/483851136.db2.gz XJMUNIRIEXZCGT-UHFFFAOYSA-N 2 0 367.494 -0.791 20 0 FBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000653400162 483869503 /nfs/dbraw/zinc/86/95/03/483869503.db2.gz VEESYWUCIUMAJQ-HNNXBMFYSA-N 2 0 367.494 -0.791 20 0 FBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000653400163 483869175 /nfs/dbraw/zinc/86/91/75/483869175.db2.gz VEESYWUCIUMAJQ-OAHLLOKOSA-N 2 0 367.494 -0.791 20 0 FBADRP C[C@H](NC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)C(C)(C)C[NH+](C)C ZINC000653411868 483873218 /nfs/dbraw/zinc/87/32/18/483873218.db2.gz JEEIUDMFWDGDMF-AWEZNQCLSA-N 2 0 369.510 -0.689 20 0 FBADRP C[C@@H](NC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)C(C)(C)C[NH+](C)C ZINC000653411869 483873161 /nfs/dbraw/zinc/87/31/61/483873161.db2.gz JEEIUDMFWDGDMF-CQSZACIVSA-N 2 0 369.510 -0.689 20 0 FBADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000653415003 483899728 /nfs/dbraw/zinc/89/97/28/483899728.db2.gz GMOOOCLORZKDNV-UHFFFAOYSA-N 2 0 355.483 -0.933 20 0 FBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000653430545 484231652 /nfs/dbraw/zinc/23/16/52/484231652.db2.gz HCUWQKXRFMDIPA-CQSZACIVSA-N 2 0 355.483 -0.935 20 0 FBADRP C[NH+](C)CCN1CCN(C(=O)C(=O)NCCCC[N@H+](C)C2CC2)CC1=O ZINC000653431753 484237197 /nfs/dbraw/zinc/23/71/97/484237197.db2.gz QHWRDSLCIZZTLG-UHFFFAOYSA-N 2 0 367.494 -0.791 20 0 FBADRP C[NH+](C)CCN1CCN(C(=O)C(=O)NCc2ccc3c[nH+]cn3c2)CC1=O ZINC000653432476 484243577 /nfs/dbraw/zinc/24/35/77/484243577.db2.gz LGAINMWPUPUKNK-UHFFFAOYSA-N 2 0 372.429 -0.817 20 0 FBADRP C[NH+](C)CCN1CCN(C(=O)C(=O)NC2CCC([NH+](C)C)CC2)CC1=O ZINC000653435296 484281768 /nfs/dbraw/zinc/28/17/68/484281768.db2.gz XUIPNRWGXQTMRE-UHFFFAOYSA-N 2 0 367.494 -0.792 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000653824242 484260200 /nfs/dbraw/zinc/26/02/00/484260200.db2.gz CYXVLCOMCURHHX-BBWFWOEESA-N 2 0 354.495 -0.790 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000653824243 484260548 /nfs/dbraw/zinc/26/05/48/484260548.db2.gz CYXVLCOMCURHHX-GVDBMIGSSA-N 2 0 354.495 -0.790 20 0 FBADRP O=C(CCN1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CCN(c2ccccn2)CC1 ZINC000653826261 484287829 /nfs/dbraw/zinc/28/78/29/484287829.db2.gz YWCZGFVZUNUXSK-DLBZAZTESA-N 2 0 359.474 -0.129 20 0 FBADRP CC(CCN1CC[NH+]2C[C@H](O)C[C@H]2C1)CCN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000653829129 484290867 /nfs/dbraw/zinc/29/08/67/484290867.db2.gz YWWKYLXSKKHZLN-VNTMZGSJSA-N 2 0 366.550 -0.096 20 0 FBADRP O[C@@H]1C[C@H]2CN(CCCCCN3CC[N@@H+]4C[C@H](O)C[C@H]4C3)CC[NH+]2C1 ZINC000653829648 484289325 /nfs/dbraw/zinc/28/93/25/484289325.db2.gz PQZOJWYJMBDUMT-INDMIFKZSA-N 2 0 352.523 -0.342 20 0 FBADRP C[NH+]1CCN(c2ccc(CNC(=O)N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)cn2)CC1 ZINC000654362135 484229846 /nfs/dbraw/zinc/22/98/46/484229846.db2.gz HVTHTGNLHLNDRY-DLBZAZTESA-N 2 0 374.489 -0.206 20 0 FBADRP CC(C)[C@H](CNC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)[NH+]1CCN(C)CC1 ZINC000654364228 484234645 /nfs/dbraw/zinc/23/46/45/484234645.db2.gz RPLCSGCAFXNTEE-BBWFWOEESA-N 2 0 353.511 -0.281 20 0 FBADRP CC(C)[C@@H](CNC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)[NH+]1CCN(C)CC1 ZINC000654364229 484233811 /nfs/dbraw/zinc/23/38/11/484233811.db2.gz RPLCSGCAFXNTEE-GVDBMIGSSA-N 2 0 353.511 -0.281 20 0 FBADRP C[NH+]1CCN(c2cc(CNC(=O)N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)ccn2)CC1 ZINC000654369635 484236910 /nfs/dbraw/zinc/23/69/10/484236910.db2.gz PXBKBVMWVNGNBL-DLBZAZTESA-N 2 0 374.489 -0.206 20 0 FBADRP CCN1CC[NH+](CCCCNC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000654377733 484248368 /nfs/dbraw/zinc/24/83/68/484248368.db2.gz VRCUBIBODAYYIX-DLBZAZTESA-N 2 0 353.511 -0.136 20 0 FBADRP C[NH+]1CCN(c2ncccc2CNC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000654406238 484269027 /nfs/dbraw/zinc/26/90/27/484269027.db2.gz PIUGXHBNMDHLRH-DLBZAZTESA-N 2 0 374.489 -0.206 20 0 FBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000654420278 484278285 /nfs/dbraw/zinc/27/82/85/484278285.db2.gz JGMVSJITSKGKAD-ARFHVFGLSA-N 2 0 367.494 -0.611 20 0 FBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000654420282 484278225 /nfs/dbraw/zinc/27/82/25/484278225.db2.gz JGMVSJITSKGKAD-XHSDSOJGSA-N 2 0 367.494 -0.611 20 0 FBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000654436399 484290473 /nfs/dbraw/zinc/29/04/73/484290473.db2.gz UEPSJRKCNDGYSL-JKSUJKDBSA-N 2 0 367.494 -0.611 20 0 FBADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)N3CC[NH+]4C[C@H](O)C[C@H]4C3)C2)CC1 ZINC000654445346 484297396 /nfs/dbraw/zinc/29/73/96/484297396.db2.gz PKSDTAWSENCZSZ-BHYGNILZSA-N 2 0 351.495 -0.385 20 0 FBADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)N3CC[NH+]4C[C@H](O)C[C@H]4C3)C2)CC1 ZINC000654445347 484297090 /nfs/dbraw/zinc/29/70/90/484297090.db2.gz PKSDTAWSENCZSZ-HYVNUMGLSA-N 2 0 351.495 -0.385 20 0 FBADRP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654450053 484300228 /nfs/dbraw/zinc/30/02/28/484300228.db2.gz YSTSXNLMWYJXCC-BHYGNILZSA-N 2 0 352.479 -0.052 20 0 FBADRP O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654450054 484300288 /nfs/dbraw/zinc/30/02/88/484300288.db2.gz YSTSXNLMWYJXCC-HYVNUMGLSA-N 2 0 352.479 -0.052 20 0 FBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000654450239 484300789 /nfs/dbraw/zinc/30/07/89/484300789.db2.gz FNBTWWZDXXZFMX-QLFBSQMISA-N 2 0 353.467 -0.966 20 0 FBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000654450240 484300500 /nfs/dbraw/zinc/30/05/00/484300500.db2.gz FNBTWWZDXXZFMX-SOUVJXGZSA-N 2 0 353.467 -0.966 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000654461058 484305354 /nfs/dbraw/zinc/30/53/54/484305354.db2.gz JZBXQYSBKHTUEH-IXDOHACOSA-N 2 0 353.511 -0.280 20 0 FBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000654461059 484305393 /nfs/dbraw/zinc/30/53/93/484305393.db2.gz JZBXQYSBKHTUEH-YESZJQIVSA-N 2 0 353.511 -0.280 20 0 FBADRP O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654496030 484323248 /nfs/dbraw/zinc/32/32/48/484323248.db2.gz HXZMUGUXZXQFKG-HZMVEIRTSA-N 2 0 352.479 -0.175 20 0 FBADRP O=C(NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654496031 484323632 /nfs/dbraw/zinc/32/36/32/484323632.db2.gz HXZMUGUXZXQFKG-VVLHAWIVSA-N 2 0 352.479 -0.175 20 0 FBADRP O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654496032 484323183 /nfs/dbraw/zinc/32/31/83/484323183.db2.gz HXZMUGUXZXQFKG-YLFCFFPRSA-N 2 0 352.479 -0.175 20 0 FBADRP O=C(NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654496033 484323306 /nfs/dbraw/zinc/32/33/06/484323306.db2.gz HXZMUGUXZXQFKG-YVSFHVDLSA-N 2 0 352.479 -0.175 20 0 FBADRP C[NH+](C)CCOc1cc(CNC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)ccn1 ZINC000654512284 484326632 /nfs/dbraw/zinc/32/66/32/484326632.db2.gz UJQPKLDZKWHEQL-JKSUJKDBSA-N 2 0 363.462 -0.018 20 0 FBADRP O=C(NCC1(N2CCOCC2)CCOCC1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654589794 484344289 /nfs/dbraw/zinc/34/42/89/484344289.db2.gz YCANQTUZBQQLAJ-JKSUJKDBSA-N 2 0 368.478 -0.672 20 0 FBADRP Cc1nn(CC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c(=O)n1C ZINC000654661911 484360392 /nfs/dbraw/zinc/36/03/92/484360392.db2.gz VMGKRDNRRXCSEI-UHFFFAOYSA-N 2 0 373.461 -0.386 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cn1nc(C)n(C)c1=O ZINC000654679081 484365271 /nfs/dbraw/zinc/36/52/71/484365271.db2.gz NNLYBLSWCJZBLX-HNNXBMFYSA-N 2 0 352.483 -0.235 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cn1nc(C)n(C)c1=O ZINC000654679082 484365285 /nfs/dbraw/zinc/36/52/85/484365285.db2.gz NNLYBLSWCJZBLX-OAHLLOKOSA-N 2 0 352.483 -0.235 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000654732651 484380566 /nfs/dbraw/zinc/38/05/66/484380566.db2.gz CWEZBENVKGIDTJ-UHFFFAOYSA-N 2 0 362.540 0.000 20 0 FBADRP C[NH+](C)CCn1ccc(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)n1 ZINC000654799410 484423431 /nfs/dbraw/zinc/42/34/31/484423431.db2.gz JPHQIANPQYEHCY-INIZCTEOSA-N 2 0 364.494 -0.419 20 0 FBADRP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)n1 ZINC000654799411 484423697 /nfs/dbraw/zinc/42/36/97/484423697.db2.gz JPHQIANPQYEHCY-MRXNPFEDSA-N 2 0 364.494 -0.419 20 0 FBADRP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654907316 484455464 /nfs/dbraw/zinc/45/54/64/484455464.db2.gz ASMHTQZQMBSTLC-LSDHHAIUSA-N 2 0 356.386 -0.517 20 0 FBADRP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654907811 484456712 /nfs/dbraw/zinc/45/67/12/484456712.db2.gz YDLVJUAIGSNUJQ-UONOGXRCSA-N 2 0 356.386 -0.517 20 0 FBADRP CCN(CC)C(=O)C[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000655074543 484481481 /nfs/dbraw/zinc/48/14/81/484481481.db2.gz JQMUXAZHLZCNAB-KRWDZBQOSA-N 2 0 365.522 -0.175 20 0 FBADRP CCN(CC)C(=O)C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000655074544 484482122 /nfs/dbraw/zinc/48/21/22/484482122.db2.gz JQMUXAZHLZCNAB-QGZVFWFLSA-N 2 0 365.522 -0.175 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)CC1=O ZINC000655296899 483615233 /nfs/dbraw/zinc/61/52/33/483615233.db2.gz DTESITUGQJMXLA-LTIDMASMSA-N 2 0 364.490 -0.403 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)CC1=O ZINC000655296900 483615752 /nfs/dbraw/zinc/61/57/52/483615752.db2.gz DTESITUGQJMXLA-LUKYLMHMSA-N 2 0 364.490 -0.403 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)CC1=O ZINC000655296901 483614858 /nfs/dbraw/zinc/61/48/58/483614858.db2.gz DTESITUGQJMXLA-VVLHAWIVSA-N 2 0 364.490 -0.403 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)CC1=O ZINC000655296903 483615637 /nfs/dbraw/zinc/61/56/37/483615637.db2.gz DTESITUGQJMXLA-WCXIOVBPSA-N 2 0 364.490 -0.403 20 0 FBADRP O=C(CC[NH+]1CCN(c2ccccn2)CC1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655297702 483636832 /nfs/dbraw/zinc/63/68/32/483636832.db2.gz QILYOGGSWSFBCG-DLBZAZTESA-N 2 0 359.474 -0.129 20 0 FBADRP Cc1nn(CC(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)c(=O)n1C ZINC000655478985 484418919 /nfs/dbraw/zinc/41/89/19/484418919.db2.gz GHZUUKGQMINRMP-UHFFFAOYSA-N 2 0 372.473 0.000 20 0 FBADRP [NH3+]C[C@@H](NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)C(F)(F)F ZINC000655915269 484517575 /nfs/dbraw/zinc/51/75/75/484517575.db2.gz MASJYSSGDBRJEE-LLVKDONJSA-N 2 0 351.373 -0.174 20 0 FBADRP [NH3+]C[C@H](NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)C(F)(F)F ZINC000655915271 484518114 /nfs/dbraw/zinc/51/81/14/484518114.db2.gz MASJYSSGDBRJEE-NSHDSACASA-N 2 0 351.373 -0.174 20 0 FBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)CC1 ZINC000655919899 484518250 /nfs/dbraw/zinc/51/82/50/484518250.db2.gz GKHFGZQMBQSUKY-GHMZBOCLSA-N 2 0 351.373 -0.176 20 0 FBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)CC1 ZINC000655919902 484517587 /nfs/dbraw/zinc/51/75/87/484517587.db2.gz GKHFGZQMBQSUKY-MNOVXSKESA-N 2 0 351.373 -0.176 20 0 FBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)CC1 ZINC000655919904 484518186 /nfs/dbraw/zinc/51/81/86/484518186.db2.gz GKHFGZQMBQSUKY-QWRGUYRKSA-N 2 0 351.373 -0.176 20 0 FBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)CC1 ZINC000655919907 484518197 /nfs/dbraw/zinc/51/81/97/484518197.db2.gz GKHFGZQMBQSUKY-WDEREUQCSA-N 2 0 351.373 -0.176 20 0 FBADRP C[NH+](C)CCNC(=O)C1CCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)CC1 ZINC000655930212 484519465 /nfs/dbraw/zinc/51/94/65/484519465.db2.gz LGJKSFLKVRSGKF-LLVKDONJSA-N 2 0 353.389 -0.025 20 0 FBADRP C[NH+](C)CCNC(=O)C1CCN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)CC1 ZINC000655930213 484518644 /nfs/dbraw/zinc/51/86/44/484518644.db2.gz LGJKSFLKVRSGKF-NSHDSACASA-N 2 0 353.389 -0.025 20 0 FBADRP [NH3+]C[C@@H](NC(=O)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1)C(F)(F)F ZINC000655932642 484518740 /nfs/dbraw/zinc/51/87/40/484518740.db2.gz YWRVMJXAWJAURH-GHMZBOCLSA-N 2 0 351.373 -0.128 20 0 FBADRP [NH3+]C[C@H](NC(=O)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1)C(F)(F)F ZINC000655932643 484519158 /nfs/dbraw/zinc/51/91/58/484519158.db2.gz YWRVMJXAWJAURH-MNOVXSKESA-N 2 0 351.373 -0.128 20 0 FBADRP [NH3+]C[C@H](NC(=O)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1)C(F)(F)F ZINC000655932644 484518721 /nfs/dbraw/zinc/51/87/21/484518721.db2.gz YWRVMJXAWJAURH-QWRGUYRKSA-N 2 0 351.373 -0.128 20 0 FBADRP [NH3+]C[C@@H](NC(=O)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1)C(F)(F)F ZINC000655932645 484519525 /nfs/dbraw/zinc/51/95/25/484519525.db2.gz YWRVMJXAWJAURH-WDEREUQCSA-N 2 0 351.373 -0.128 20 0 FBADRP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655956130 484521983 /nfs/dbraw/zinc/52/19/83/484521983.db2.gz MOUVJBNFBBABNR-LSDHHAIUSA-N 2 0 360.414 -0.616 20 0 FBADRP O=C(Nc1ccc2c(c1F)CC[NH2+]C2)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655956341 484521432 /nfs/dbraw/zinc/52/14/32/484521432.db2.gz WBIYQQZIZRSFQI-QWHCGFSZSA-N 2 0 362.405 -0.313 20 0 FBADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655967459 484522454 /nfs/dbraw/zinc/52/24/54/484522454.db2.gz WARWATZJDCHXRK-XQQFMLRXSA-N 2 0 365.400 -0.717 20 0 FBADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655967460 484522421 /nfs/dbraw/zinc/52/24/21/484522421.db2.gz WARWATZJDCHXRK-YNEHKIRRSA-N 2 0 365.400 -0.717 20 0 FBADRP O=C(NC1CCC(N2CC[NH2+]CC2)CC1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655967796 484522490 /nfs/dbraw/zinc/52/24/90/484522490.db2.gz DXUYSKBPXVLVFE-SJJHQCBESA-N 2 0 351.495 -0.337 20 0 FBADRP O=C(NCCCN1CC[NH2+]CC1)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656020029 484541281 /nfs/dbraw/zinc/54/12/81/484541281.db2.gz KSZJWXPGKOHITQ-CVEARBPZSA-N 2 0 351.495 -0.469 20 0 FBADRP O=C(NCCCN1CC[NH2+]CC1)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656020030 484540448 /nfs/dbraw/zinc/54/04/48/484540448.db2.gz KSZJWXPGKOHITQ-HOTGVXAUSA-N 2 0 351.495 -0.469 20 0 FBADRP O=C(NCCCN1CC[NH2+]CC1)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656020031 484540667 /nfs/dbraw/zinc/54/06/67/484540667.db2.gz KSZJWXPGKOHITQ-HZPDHXFCSA-N 2 0 351.495 -0.469 20 0 FBADRP O=C(NCCCN1CC[NH2+]CC1)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656020032 484540744 /nfs/dbraw/zinc/54/07/44/484540744.db2.gz KSZJWXPGKOHITQ-JKSUJKDBSA-N 2 0 351.495 -0.469 20 0 FBADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000656020085 484540734 /nfs/dbraw/zinc/54/07/34/484540734.db2.gz NKHGHDFHWGOFQB-UHFFFAOYSA-N 2 0 353.511 -0.269 20 0 FBADRP O=C(NCC[NH2+]C1CCCCCC1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656023677 484542620 /nfs/dbraw/zinc/54/26/20/484542620.db2.gz CRUJIKHHAIODFX-JKSUJKDBSA-N 2 0 352.479 -0.308 20 0 FBADRP Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)C[C@H]2[NH3+])cn1 ZINC000656027987 484543684 /nfs/dbraw/zinc/54/36/84/484543684.db2.gz GQOVGLYVGZKOOB-HZMVEIRTSA-N 2 0 374.489 -0.194 20 0 FBADRP Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@H]3CCC[N@@H+]4CCCC[C@H]34)C[C@H]2[NH3+])cn1 ZINC000656027988 484543435 /nfs/dbraw/zinc/54/34/35/484543435.db2.gz GQOVGLYVGZKOOB-VVLHAWIVSA-N 2 0 374.489 -0.194 20 0 FBADRP Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@@H]3CCC[N@@H+]4CCCC[C@H]34)C[C@H]2[NH3+])cn1 ZINC000656027989 484544566 /nfs/dbraw/zinc/54/45/66/484544566.db2.gz GQOVGLYVGZKOOB-YLFCFFPRSA-N 2 0 374.489 -0.194 20 0 FBADRP Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@H]3CCC[N@@H+]4CCCC[C@@H]34)C[C@H]2[NH3+])cn1 ZINC000656027990 484543562 /nfs/dbraw/zinc/54/35/62/484543562.db2.gz GQOVGLYVGZKOOB-YVSFHVDLSA-N 2 0 374.489 -0.194 20 0 FBADRP CCO[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)C[C@H]1C[NH3+] ZINC000656029181 484544534 /nfs/dbraw/zinc/54/45/34/484544534.db2.gz WGZQYAAXCFMIRC-FXUDXRNXSA-N 2 0 352.479 -0.058 20 0 FBADRP CCO[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C[C@H]1C[NH3+] ZINC000656029182 484544180 /nfs/dbraw/zinc/54/41/80/484544180.db2.gz WGZQYAAXCFMIRC-KLHDSHLOSA-N 2 0 352.479 -0.058 20 0 FBADRP CCO[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C[C@H]1C[NH3+] ZINC000656029183 484544277 /nfs/dbraw/zinc/54/42/77/484544277.db2.gz WGZQYAAXCFMIRC-LVQVYYBASA-N 2 0 352.479 -0.058 20 0 FBADRP CCO[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)C[C@H]1C[NH3+] ZINC000656029184 484543263 /nfs/dbraw/zinc/54/32/63/484543263.db2.gz WGZQYAAXCFMIRC-QKPAOTATSA-N 2 0 352.479 -0.058 20 0 FBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000656039878 484544158 /nfs/dbraw/zinc/54/41/58/484544158.db2.gz JTSSRNIJQRSLGB-KFWWJZLASA-N 2 0 367.494 -0.711 20 0 FBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000656039879 484543863 /nfs/dbraw/zinc/54/38/63/484543863.db2.gz JTSSRNIJQRSLGB-SOUVJXGZSA-N 2 0 367.494 -0.711 20 0 FBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CCN(C[C@H]3CCCO3)CC2)C1 ZINC000656060324 484547647 /nfs/dbraw/zinc/54/76/47/484547647.db2.gz UYQFHICPLOAAEO-OWCLPIDISA-N 2 0 352.479 -0.234 20 0 FBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CCN(C[C@@H]3CCCO3)CC2)C1 ZINC000656060325 484548153 /nfs/dbraw/zinc/54/81/53/484548153.db2.gz UYQFHICPLOAAEO-XHSDSOJGSA-N 2 0 352.479 -0.234 20 0 FBADRP O=C(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000656060837 484547043 /nfs/dbraw/zinc/54/70/43/484547043.db2.gz ONVXEDVHKVXOMU-JKSUJKDBSA-N 2 0 359.430 -0.992 20 0 FBADRP O=C(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CCC([NH+]2CCCCC2)CC1 ZINC000656061931 484547098 /nfs/dbraw/zinc/54/70/98/484547098.db2.gz AKRAUEBHWQJKDP-DLBZAZTESA-N 2 0 364.490 -0.259 20 0 FBADRP O=C(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CC[NH+](C2CCCC2)CC1 ZINC000656062917 484549271 /nfs/dbraw/zinc/54/92/71/484549271.db2.gz UTAAKUUNHVSSMV-JKSUJKDBSA-N 2 0 350.463 -0.649 20 0 FBADRP O=C(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CC[NH+](C2CCCCC2)CC1 ZINC000656063013 484550018 /nfs/dbraw/zinc/55/00/18/484550018.db2.gz VJEBKXYCMDGEDI-DLBZAZTESA-N 2 0 364.490 -0.259 20 0 FBADRP O=C(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000656064484 484550117 /nfs/dbraw/zinc/55/01/17/484550117.db2.gz RHFWFZLEWPUERX-DLBZAZTESA-N 2 0 364.490 -0.402 20 0 FBADRP CC[NH+](CC)CC1CCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656064731 484552105 /nfs/dbraw/zinc/55/21/05/484552105.db2.gz WAZVPYUHKCEGDJ-DLBZAZTESA-N 2 0 366.506 -0.156 20 0 FBADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656065463 484549838 /nfs/dbraw/zinc/54/98/38/484549838.db2.gz AMJCCMHDROTGBZ-WOVMCDHWSA-N 2 0 367.538 -0.073 20 0 FBADRP O=C(C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656065980 484549522 /nfs/dbraw/zinc/54/95/22/484549522.db2.gz UTOCWQFFMUHXPY-HRCADAONSA-N 2 0 350.463 -0.649 20 0 FBADRP O=C(C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656065981 484550053 /nfs/dbraw/zinc/55/00/53/484550053.db2.gz UTOCWQFFMUHXPY-OWCLPIDISA-N 2 0 350.463 -0.649 20 0 FBADRP C[NH+](C)CCC1CCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656066498 484550958 /nfs/dbraw/zinc/55/09/58/484550958.db2.gz CBFMVDASDABZOK-JKSUJKDBSA-N 2 0 352.479 -0.546 20 0 FBADRP CCC[NH+]1CCC(N(C)C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656066783 484551687 /nfs/dbraw/zinc/55/16/87/484551687.db2.gz ILFUISQZRWCYIY-JKSUJKDBSA-N 2 0 352.479 -0.403 20 0 FBADRP O=C(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000656066807 484551898 /nfs/dbraw/zinc/55/18/98/484551898.db2.gz JBMKKLCWVHDVQR-IXDOHACOSA-N 2 0 364.490 -0.259 20 0 FBADRP O=C(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000656066808 484551626 /nfs/dbraw/zinc/55/16/26/484551626.db2.gz JBMKKLCWVHDVQR-YESZJQIVSA-N 2 0 364.490 -0.259 20 0 FBADRP O=C(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000656066851 484550991 /nfs/dbraw/zinc/55/09/91/484550991.db2.gz MUDDALRLFUASGV-HRCADAONSA-N 2 0 350.463 -0.649 20 0 FBADRP O=C(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000656066852 484551443 /nfs/dbraw/zinc/55/14/43/484551443.db2.gz MUDDALRLFUASGV-OWCLPIDISA-N 2 0 350.463 -0.649 20 0 FBADRP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656067121 484551143 /nfs/dbraw/zinc/55/11/43/484551143.db2.gz NFTVDVCOGFVPLE-DLBZAZTESA-N 2 0 366.506 -0.157 20 0 FBADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656067589 484552183 /nfs/dbraw/zinc/55/21/83/484552183.db2.gz UWIWWEXPZRKSHK-CWRNSKLLSA-N 2 0 352.479 -0.548 20 0 FBADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656067590 484552142 /nfs/dbraw/zinc/55/21/42/484552142.db2.gz UWIWWEXPZRKSHK-VNQPRFMTSA-N 2 0 352.479 -0.548 20 0 FBADRP CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656067881 484550730 /nfs/dbraw/zinc/55/07/30/484550730.db2.gz OIIOJCUXRSOSBO-LSDHHAIUSA-N 2 0 352.479 -0.403 20 0 FBADRP CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656068011 484551052 /nfs/dbraw/zinc/55/10/52/484551052.db2.gz XYBAVYUJSKGOKY-JKSUJKDBSA-N 2 0 366.506 -0.156 20 0 FBADRP O=C(C(=O)N1CCC[NH+](C2CCCC2)CC1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656068338 484551936 /nfs/dbraw/zinc/55/19/36/484551936.db2.gz VOEGMLCWXKEVGC-DLBZAZTESA-N 2 0 364.490 -0.259 20 0 FBADRP O=C(C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656069166 484553695 /nfs/dbraw/zinc/55/36/95/484553695.db2.gz RYTHMJYNCVGNDD-IXDOHACOSA-N 2 0 364.490 -0.259 20 0 FBADRP O=C(C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656069167 484552563 /nfs/dbraw/zinc/55/25/63/484552563.db2.gz RYTHMJYNCVGNDD-YESZJQIVSA-N 2 0 364.490 -0.259 20 0 FBADRP O=C(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000656069410 484553739 /nfs/dbraw/zinc/55/37/39/484553739.db2.gz AVKNAZWTVWPYKI-HRCADAONSA-N 2 0 350.463 -0.649 20 0 FBADRP O=C(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000656069411 484553883 /nfs/dbraw/zinc/55/38/83/484553883.db2.gz AVKNAZWTVWPYKI-OWCLPIDISA-N 2 0 350.463 -0.649 20 0 FBADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656069803 484553959 /nfs/dbraw/zinc/55/39/59/484553959.db2.gz PTFUKHGNSHYDSD-JKSUJKDBSA-N 2 0 370.494 -0.919 20 0 FBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000656070128 484553569 /nfs/dbraw/zinc/55/35/69/484553569.db2.gz AIBQJSCNMPFFKC-YESZJQIVSA-N 2 0 365.522 -0.319 20 0 FBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000656070129 484553868 /nfs/dbraw/zinc/55/38/68/484553868.db2.gz AIBQJSCNMPFFKC-ZACQAIPSSA-N 2 0 365.522 -0.319 20 0 FBADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)[C@@H](C)C1 ZINC000656075163 484557091 /nfs/dbraw/zinc/55/70/91/484557091.db2.gz CQRBOZMVCXTZMG-CAOSSQGBSA-N 2 0 352.479 -0.548 20 0 FBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)[C@@H](C)C1 ZINC000656075164 484557417 /nfs/dbraw/zinc/55/74/17/484557417.db2.gz CQRBOZMVCXTZMG-JONQDZQNSA-N 2 0 352.479 -0.548 20 0 FBADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)[C@H](C)C1 ZINC000656075165 484556690 /nfs/dbraw/zinc/55/66/90/484556690.db2.gz CQRBOZMVCXTZMG-QKPAOTATSA-N 2 0 352.479 -0.548 20 0 FBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)[C@H](C)C1 ZINC000656075166 484556875 /nfs/dbraw/zinc/55/68/75/484556875.db2.gz CQRBOZMVCXTZMG-QXSJWSMHSA-N 2 0 352.479 -0.548 20 0 FBADRP O=C(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000656075212 484556470 /nfs/dbraw/zinc/55/64/70/484556470.db2.gz FDSZRMCGISGVLQ-HRCADAONSA-N 2 0 350.463 -0.792 20 0 FBADRP O=C(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000656075213 484556837 /nfs/dbraw/zinc/55/68/37/484556837.db2.gz FDSZRMCGISGVLQ-OWCLPIDISA-N 2 0 350.463 -0.792 20 0 FBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C[C@H]1C ZINC000656075457 484556349 /nfs/dbraw/zinc/55/63/49/484556349.db2.gz LNIPEXOAXTXFGM-FXUDXRNXSA-N 2 0 352.479 -0.405 20 0 FBADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C[C@H]1C ZINC000656075458 484557031 /nfs/dbraw/zinc/55/70/31/484557031.db2.gz LNIPEXOAXTXFGM-LVQVYYBASA-N 2 0 352.479 -0.405 20 0 FBADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C[C@@H]1C ZINC000656075459 484559039 /nfs/dbraw/zinc/55/90/39/484559039.db2.gz LNIPEXOAXTXFGM-XUWVNRHRSA-N 2 0 352.479 -0.405 20 0 FBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C[C@@H]1C ZINC000656075460 484558135 /nfs/dbraw/zinc/55/81/35/484558135.db2.gz LNIPEXOAXTXFGM-YHUYYLMFSA-N 2 0 352.479 -0.405 20 0 FBADRP O=C(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CC[C@@H](Oc2ccncc2)C1 ZINC000656075512 484558454 /nfs/dbraw/zinc/55/84/54/484558454.db2.gz MTNAVEQEIJJZCC-SQWLQELKSA-N 2 0 360.414 -0.661 20 0 FBADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656075658 484558261 /nfs/dbraw/zinc/55/82/61/484558261.db2.gz QQLDXJBXQRPBOE-LSDHHAIUSA-N 2 0 364.446 -0.553 20 0 FBADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656076175 484558402 /nfs/dbraw/zinc/55/84/02/484558402.db2.gz FTAYRPXQQKMUAB-HRCADAONSA-N 2 0 352.479 -0.403 20 0 FBADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656076177 484558912 /nfs/dbraw/zinc/55/89/12/484558912.db2.gz FTAYRPXQQKMUAB-OWCLPIDISA-N 2 0 352.479 -0.403 20 0 FBADRP C[NH+]1CCC2(CCCN2C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656076260 484559003 /nfs/dbraw/zinc/55/90/03/484559003.db2.gz GSQPARMPPFTGIP-LSDHHAIUSA-N 2 0 350.463 -0.649 20 0 FBADRP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656076557 484560386 /nfs/dbraw/zinc/56/03/86/484560386.db2.gz JTZDRZZHDOHMAG-JKSUJKDBSA-N 2 0 354.495 -0.156 20 0 FBADRP C[NH+](C)CCCC1CCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656076748 484560438 /nfs/dbraw/zinc/56/04/38/484560438.db2.gz KOCYWFIEXYPJNO-DLBZAZTESA-N 2 0 366.506 -0.156 20 0 FBADRP O=C(C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656076882 484560048 /nfs/dbraw/zinc/56/00/48/484560048.db2.gz HXZMOTCDFMKRBD-IXDOHACOSA-N 2 0 364.490 -0.259 20 0 FBADRP O=C(C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656076883 484560821 /nfs/dbraw/zinc/56/08/21/484560821.db2.gz HXZMOTCDFMKRBD-YESZJQIVSA-N 2 0 364.490 -0.259 20 0 FBADRP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656077127 484560617 /nfs/dbraw/zinc/56/06/17/484560617.db2.gz PJODSICEUJOTGI-JKSUJKDBSA-N 2 0 354.495 -0.156 20 0 FBADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656078494 484558200 /nfs/dbraw/zinc/55/82/00/484558200.db2.gz LJOBQGAKBZJYOC-HRCADAONSA-N 2 0 352.479 -0.546 20 0 FBADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656078495 484558003 /nfs/dbraw/zinc/55/80/03/484558003.db2.gz LJOBQGAKBZJYOC-OWCLPIDISA-N 2 0 352.479 -0.546 20 0 FBADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656078943 484558089 /nfs/dbraw/zinc/55/80/89/484558089.db2.gz PWKJFVBIBVASLB-CAOSSQGBSA-N 2 0 350.463 -0.794 20 0 FBADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656078945 484559082 /nfs/dbraw/zinc/55/90/82/484559082.db2.gz PWKJFVBIBVASLB-JONQDZQNSA-N 2 0 350.463 -0.794 20 0 FBADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656078947 484558113 /nfs/dbraw/zinc/55/81/13/484558113.db2.gz PWKJFVBIBVASLB-QKPAOTATSA-N 2 0 350.463 -0.794 20 0 FBADRP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656078948 484558526 /nfs/dbraw/zinc/55/85/26/484558526.db2.gz PWKJFVBIBVASLB-QXSJWSMHSA-N 2 0 350.463 -0.794 20 0 FBADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656079722 484563850 /nfs/dbraw/zinc/56/38/50/484563850.db2.gz ZJEBSHMDFKAZHR-JKSUJKDBSA-N 2 0 352.479 -0.402 20 0 FBADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656080131 484564215 /nfs/dbraw/zinc/56/42/15/484564215.db2.gz ONIVVJRJJUKZON-IXDOHACOSA-N 2 0 364.490 -0.546 20 0 FBADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656080132 484564325 /nfs/dbraw/zinc/56/43/25/484564325.db2.gz ONIVVJRJJUKZON-YESZJQIVSA-N 2 0 364.490 -0.546 20 0 FBADRP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)C2)CC1 ZINC000656081844 484561810 /nfs/dbraw/zinc/56/18/10/484561810.db2.gz LSTWNIHVBOESIV-IXDOHACOSA-N 2 0 364.490 -0.546 20 0 FBADRP C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)C2)CC1 ZINC000656081846 484561924 /nfs/dbraw/zinc/56/19/24/484561924.db2.gz LSTWNIHVBOESIV-YESZJQIVSA-N 2 0 364.490 -0.546 20 0 FBADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656083185 484566692 /nfs/dbraw/zinc/56/66/92/484566692.db2.gz YVISBVPJDMUUGS-FXUDXRNXSA-N 2 0 350.463 -0.651 20 0 FBADRP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CC[NH+]4C[C@H](O)C[C@H]4C3)CC[C@H]21 ZINC000656083361 484566760 /nfs/dbraw/zinc/56/67/60/484566760.db2.gz PCTAWRBIHAIWSF-CAOSSQGBSA-N 2 0 350.463 -0.794 20 0 FBADRP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CC[NH+]4C[C@H](O)C[C@H]4C3)CC[C@@H]21 ZINC000656083362 484567627 /nfs/dbraw/zinc/56/76/27/484567627.db2.gz PCTAWRBIHAIWSF-JONQDZQNSA-N 2 0 350.463 -0.794 20 0 FBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[NH+]4C[C@H](O)C[C@H]4C3)CC[C@H]21 ZINC000656083363 484567469 /nfs/dbraw/zinc/56/74/69/484567469.db2.gz PCTAWRBIHAIWSF-QKPAOTATSA-N 2 0 350.463 -0.794 20 0 FBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[NH+]4C[C@H](O)C[C@H]4C3)CC[C@@H]21 ZINC000656083364 484566646 /nfs/dbraw/zinc/56/66/46/484566646.db2.gz PCTAWRBIHAIWSF-QXSJWSMHSA-N 2 0 350.463 -0.794 20 0 FBADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656086507 484568668 /nfs/dbraw/zinc/56/86/68/484568668.db2.gz AFCYUPWFKBSHMY-LSDHHAIUSA-N 2 0 352.479 -0.403 20 0 FBADRP C[N@@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CC[NH+]4C[C@H](O)C[C@H]4C3)C2)C1 ZINC000656087905 484569902 /nfs/dbraw/zinc/56/99/02/484569902.db2.gz INCGPNGTXNJSMR-DAYGRLMNSA-N 2 0 350.463 -0.792 20 0 FBADRP C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CC[NH+]4C[C@H](O)C[C@H]4C3)C2)C1 ZINC000656087907 484569747 /nfs/dbraw/zinc/56/97/47/484569747.db2.gz INCGPNGTXNJSMR-HDMKZQKVSA-N 2 0 350.463 -0.792 20 0 FBADRP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656103736 484576221 /nfs/dbraw/zinc/57/62/21/484576221.db2.gz BTKCYMYKFDPCNN-UXLLHSPISA-N 2 0 358.442 -0.652 20 0 FBADRP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656103742 484576476 /nfs/dbraw/zinc/57/64/76/484576476.db2.gz BTKCYMYKFDPCNN-ZMSDIMECSA-N 2 0 358.442 -0.652 20 0 FBADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CC1 ZINC000656103757 484575722 /nfs/dbraw/zinc/57/57/22/484575722.db2.gz CCELSCVQTJHJEY-INIZCTEOSA-N 2 0 365.522 -0.175 20 0 FBADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CC1 ZINC000656103760 484575566 /nfs/dbraw/zinc/57/55/66/484575566.db2.gz CCELSCVQTJHJEY-MRXNPFEDSA-N 2 0 365.522 -0.175 20 0 FBADRP O=C(C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656103943 484576134 /nfs/dbraw/zinc/57/61/34/484576134.db2.gz DEYJZKYGQYVXOO-FXUDXRNXSA-N 2 0 350.463 -0.888 20 0 FBADRP 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CC1(C)C[NH2+][C@H]1C1CCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656104213 484576175 /nfs/dbraw/zinc/57/61/75/484576175.db2.gz KJZYQVCXBBDRNV-XHSDSOJGSA-N 2 0 364.490 -0.500 20 0 FBADRP [NH3+]CCCN(Cc1ccccc1)C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656104256 484575878 /nfs/dbraw/zinc/57/58/78/484575878.db2.gz LXPJGLCBRQPWCT-DLBZAZTESA-N 2 0 360.458 -0.359 20 0 FBADRP O=C(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000656104379 484576108 /nfs/dbraw/zinc/57/61/08/484576108.db2.gz OUAXSSNSDRORQR-ARFHVFGLSA-N 2 0 350.463 -0.746 20 0 FBADRP O=C(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000656104382 484575761 /nfs/dbraw/zinc/57/57/61/484575761.db2.gz OUAXSSNSDRORQR-XHSDSOJGSA-N 2 0 350.463 -0.746 20 0 FBADRP O=C(C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656104582 484575980 /nfs/dbraw/zinc/57/59/80/484575980.db2.gz RGDVGWDIHHWOFP-LTIDMASMSA-N 2 0 364.490 -0.498 20 0 FBADRP O=C(C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656104583 484575783 /nfs/dbraw/zinc/57/57/83/484575783.db2.gz RGDVGWDIHHWOFP-LUKYLMHMSA-N 2 0 364.490 -0.498 20 0 FBADRP O=C(C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656104584 484576258 /nfs/dbraw/zinc/57/62/58/484576258.db2.gz RGDVGWDIHHWOFP-VVLHAWIVSA-N 2 0 364.490 -0.498 20 0 FBADRP O=C(C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656104585 484576330 /nfs/dbraw/zinc/57/63/30/484576330.db2.gz RGDVGWDIHHWOFP-WCXIOVBPSA-N 2 0 364.490 -0.498 20 0 FBADRP O=C(C(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656104610 484575817 /nfs/dbraw/zinc/57/58/17/484575817.db2.gz SEZCNJQPIYDINF-MWDXBVQZSA-N 2 0 364.490 -0.356 20 0 FBADRP O=C(C(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656104611 484575995 /nfs/dbraw/zinc/57/59/95/484575995.db2.gz SEZCNJQPIYDINF-NXOAAHMSSA-N 2 0 364.490 -0.356 20 0 FBADRP O=C(C(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656104612 484575934 /nfs/dbraw/zinc/57/59/34/484575934.db2.gz SEZCNJQPIYDINF-TWMKSMIVSA-N 2 0 364.490 -0.356 20 0 FBADRP O=C(C(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656104613 484576283 /nfs/dbraw/zinc/57/62/83/484576283.db2.gz SEZCNJQPIYDINF-YYIAUSFCSA-N 2 0 364.490 -0.356 20 0 FBADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000656104656 484575949 /nfs/dbraw/zinc/57/59/49/484575949.db2.gz TYVUPUMGVZGRTC-INIZCTEOSA-N 2 0 365.522 -0.175 20 0 FBADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000656104657 484576321 /nfs/dbraw/zinc/57/63/21/484576321.db2.gz TYVUPUMGVZGRTC-MRXNPFEDSA-N 2 0 365.522 -0.175 20 0 FBADRP O=C(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000656105244 484574362 /nfs/dbraw/zinc/57/43/62/484574362.db2.gz ZQMIOOHOELDSOY-HRCADAONSA-N 2 0 350.463 -0.888 20 0 FBADRP O=C(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000656105246 484574516 /nfs/dbraw/zinc/57/45/16/484574516.db2.gz ZQMIOOHOELDSOY-OWCLPIDISA-N 2 0 350.463 -0.888 20 0 FBADRP Cc1cnc(N2CC[NH+]3C[C@H](O)C[C@H]3C2)nc1N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656219033 484615820 /nfs/dbraw/zinc/61/58/20/484615820.db2.gz KKCZIRFDCXNQAO-MWDXBVQZSA-N 2 0 374.489 -0.705 20 0 FBADRP Cc1nc(N2CC[NH+]3C[C@H](O)C[C@H]3C2)cc(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)n1 ZINC000656219215 484616109 /nfs/dbraw/zinc/61/61/09/484616109.db2.gz PJRAKBPDIQOYKM-MWDXBVQZSA-N 2 0 374.489 -0.705 20 0 FBADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)c1ccccc1 ZINC000656281603 484623408 /nfs/dbraw/zinc/62/34/08/484623408.db2.gz BQRNKSRLMBDGPV-BBWFWOEESA-N 2 0 360.458 -0.317 20 0 FBADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)c1ccccc1 ZINC000656281604 484623535 /nfs/dbraw/zinc/62/35/35/484623535.db2.gz BQRNKSRLMBDGPV-GVDBMIGSSA-N 2 0 360.458 -0.317 20 0 FBADRP CC1(C)CC(NC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC(C)(C)[NH2+]1 ZINC000656282814 484623468 /nfs/dbraw/zinc/62/34/68/484623468.db2.gz PPCVIBKFYYXIDL-UONOGXRCSA-N 2 0 352.479 -0.311 20 0 FBADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)c1cccs1 ZINC000656284001 484623662 /nfs/dbraw/zinc/62/36/62/484623662.db2.gz KJDTWPUWDYTYDG-BFHYXJOUSA-N 2 0 366.487 -0.256 20 0 FBADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)c1cccs1 ZINC000656284002 484623492 /nfs/dbraw/zinc/62/34/92/484623492.db2.gz KJDTWPUWDYTYDG-MJBXVCDLSA-N 2 0 366.487 -0.256 20 0 FBADRP CC(C)(CNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)[NH+]1CCCCC1 ZINC000656284752 484625315 /nfs/dbraw/zinc/62/53/15/484625315.db2.gz YBPFSXMRRZNSOI-LSDHHAIUSA-N 2 0 352.479 -0.356 20 0 FBADRP C[NH+](C)C1(CNC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CCCCC1 ZINC000656284829 484624295 /nfs/dbraw/zinc/62/42/95/484624295.db2.gz ZZHANRUTYVWQQM-LSDHHAIUSA-N 2 0 352.479 -0.356 20 0 FBADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)Cc1ccccc1 ZINC000656285520 484624191 /nfs/dbraw/zinc/62/41/91/484624191.db2.gz CZPFHALNWDNUCT-FGTMMUONSA-N 2 0 374.485 -0.447 20 0 FBADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)Cc1ccccc1 ZINC000656285521 484625565 /nfs/dbraw/zinc/62/55/65/484625565.db2.gz CZPFHALNWDNUCT-OKZBNKHCSA-N 2 0 374.485 -0.447 20 0 FBADRP CC1CC[NH+](CCCNC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656285558 484625410 /nfs/dbraw/zinc/62/54/10/484625410.db2.gz HXKCAAIXEUEVEQ-JKSUJKDBSA-N 2 0 352.479 -0.498 20 0 FBADRP O=C(N[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656286160 484624685 /nfs/dbraw/zinc/62/46/85/484624685.db2.gz LIJXRIPMYVQUIG-FGTMMUONSA-N 2 0 372.469 -0.346 20 0 FBADRP O=C(N[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656286162 484625059 /nfs/dbraw/zinc/62/50/59/484625059.db2.gz LIJXRIPMYVQUIG-OKZBNKHCSA-N 2 0 372.469 -0.346 20 0 FBADRP 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CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656290455 484627119 /nfs/dbraw/zinc/62/71/19/484627119.db2.gz YSPXCZKVZGVGIX-JKSUJKDBSA-N 2 0 352.479 -0.500 20 0 FBADRP C[C@H](CN1CCOCC1)NC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656294465 484628449 /nfs/dbraw/zinc/62/84/49/484628449.db2.gz AVTNTIIVSUATOU-BZUAXINKSA-N 2 0 352.479 -0.044 20 0 FBADRP C[C@H](CN1CCOCC1)NC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656294466 484628741 /nfs/dbraw/zinc/62/87/41/484628741.db2.gz AVTNTIIVSUATOU-OAGGEKHMSA-N 2 0 352.479 -0.044 20 0 FBADRP C[C@H](CN1CCOCC1)NC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656294467 484628771 /nfs/dbraw/zinc/62/87/71/484628771.db2.gz AVTNTIIVSUATOU-OWCLPIDISA-N 2 0 352.479 -0.044 20 0 FBADRP C[C@H](CN1CCOCC1)NC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656294468 484629799 /nfs/dbraw/zinc/62/97/99/484629799.db2.gz AVTNTIIVSUATOU-PMPSAXMXSA-N 2 0 352.479 -0.044 20 0 FBADRP O=C(NC1CC[NH+](C2CCCC2)CC1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656294631 484625296 /nfs/dbraw/zinc/62/52/96/484625296.db2.gz VYTWAOGDFYJOQN-DLBZAZTESA-N 2 0 364.490 -0.213 20 0 FBADRP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656295211 484624662 /nfs/dbraw/zinc/62/46/62/484624662.db2.gz GSVIFSYYKSOQNM-LUKYLMHMSA-N 2 0 366.506 -0.252 20 0 FBADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656295212 484624542 /nfs/dbraw/zinc/62/45/42/484624542.db2.gz GSVIFSYYKSOQNM-VVLHAWIVSA-N 2 0 366.506 -0.252 20 0 FBADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656295213 484624164 /nfs/dbraw/zinc/62/41/64/484624164.db2.gz GSVIFSYYKSOQNM-WCXIOVBPSA-N 2 0 366.506 -0.252 20 0 FBADRP CC1CC[NH+](CCCCNC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656296621 484626456 /nfs/dbraw/zinc/62/64/56/484626456.db2.gz MRZAGNVMFYNBLX-DLBZAZTESA-N 2 0 366.506 -0.108 20 0 FBADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656297298 484626403 /nfs/dbraw/zinc/62/64/03/484626403.db2.gz XYAWLSNMYQRQER-IXDOHACOSA-N 2 0 366.506 -0.108 20 0 FBADRP C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656297299 484627760 /nfs/dbraw/zinc/62/77/60/484627760.db2.gz XYAWLSNMYQRQER-YESZJQIVSA-N 2 0 366.506 -0.108 20 0 FBADRP O=C(NC1CC[NH+](CC2CC2)CC1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656298134 484626233 /nfs/dbraw/zinc/62/62/33/484626233.db2.gz BAPXOYDECDYQPD-JKSUJKDBSA-N 2 0 350.463 -0.746 20 0 FBADRP C[N@H+](CCNC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)Cc1ccccc1 ZINC000656301180 484629699 /nfs/dbraw/zinc/62/96/99/484629699.db2.gz IQZAYSSOTPJPTC-DLBZAZTESA-N 2 0 360.458 -0.488 20 0 FBADRP CCC[NH+](CCC)CCCNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656301859 484631878 /nfs/dbraw/zinc/63/18/78/484631878.db2.gz OFVGYETZFLDHGR-JKSUJKDBSA-N 2 0 354.495 -0.108 20 0 FBADRP CCC[NH+]1CCC(CNC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656301948 484631712 /nfs/dbraw/zinc/63/17/12/484631712.db2.gz PHMQMMYIHAPICF-JKSUJKDBSA-N 2 0 352.479 -0.498 20 0 FBADRP C[C@H]1CCC[C@](CNC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)([NH+](C)C)C1 ZINC000656302162 484631504 /nfs/dbraw/zinc/63/15/04/484631504.db2.gz IBKQBPDKXHEMHD-GGXPGOJBSA-N 2 0 366.506 -0.110 20 0 FBADRP C[C@@H]1CCC[C@](CNC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)([NH+](C)C)C1 ZINC000656302163 484630971 /nfs/dbraw/zinc/63/09/71/484630971.db2.gz IBKQBPDKXHEMHD-OLMMMNRUSA-N 2 0 366.506 -0.110 20 0 FBADRP C[C@H]1CCC[C@@](CNC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)([NH+](C)C)C1 ZINC000656302164 484631753 /nfs/dbraw/zinc/63/17/53/484631753.db2.gz IBKQBPDKXHEMHD-YIOZNXECSA-N 2 0 366.506 -0.110 20 0 FBADRP C[C@@H]1CCC[C@@](CNC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)([NH+](C)C)C1 ZINC000656302165 484631005 /nfs/dbraw/zinc/63/10/05/484631005.db2.gz IBKQBPDKXHEMHD-YYAJDYIMSA-N 2 0 366.506 -0.110 20 0 FBADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656302556 484630709 /nfs/dbraw/zinc/63/07/09/484630709.db2.gz BENAPVSFVAOFQE-BPKGMFCQSA-N 2 0 366.506 -0.254 20 0 FBADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656302558 484631053 /nfs/dbraw/zinc/63/10/53/484631053.db2.gz BENAPVSFVAOFQE-BQJWPVKWSA-N 2 0 366.506 -0.254 20 0 FBADRP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656302559 484631192 /nfs/dbraw/zinc/63/11/92/484631192.db2.gz BENAPVSFVAOFQE-OVYGPGRDSA-N 2 0 366.506 -0.254 20 0 FBADRP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656302561 484631527 /nfs/dbraw/zinc/63/15/27/484631527.db2.gz BENAPVSFVAOFQE-UHDSXZAQSA-N 2 0 366.506 -0.254 20 0 FBADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656303182 484630931 /nfs/dbraw/zinc/63/09/31/484630931.db2.gz GMYKNKQFSUCPFW-FXUDXRNXSA-N 2 0 352.479 -0.500 20 0 FBADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656303183 484630662 /nfs/dbraw/zinc/63/06/62/484630662.db2.gz GMYKNKQFSUCPFW-LVQVYYBASA-N 2 0 352.479 -0.500 20 0 FBADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656303184 484631153 /nfs/dbraw/zinc/63/11/53/484631153.db2.gz GMYKNKQFSUCPFW-XUWVNRHRSA-N 2 0 352.479 -0.500 20 0 FBADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656303185 484630309 /nfs/dbraw/zinc/63/03/09/484630309.db2.gz GMYKNKQFSUCPFW-YHUYYLMFSA-N 2 0 352.479 -0.500 20 0 FBADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656304340 484630542 /nfs/dbraw/zinc/63/05/42/484630542.db2.gz WXQNHKIBEYWDED-HRCADAONSA-N 2 0 366.506 -0.110 20 0 FBADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656304341 484630192 /nfs/dbraw/zinc/63/01/92/484630192.db2.gz WXQNHKIBEYWDED-OWCLPIDISA-N 2 0 366.506 -0.110 20 0 FBADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656304925 484630750 /nfs/dbraw/zinc/63/07/50/484630750.db2.gz KVNOOKJSCLGRJQ-HRCADAONSA-N 2 0 352.479 -0.500 20 0 FBADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656304926 484630779 /nfs/dbraw/zinc/63/07/79/484630779.db2.gz KVNOOKJSCLGRJQ-OWCLPIDISA-N 2 0 352.479 -0.500 20 0 FBADRP C[C@@H](CNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)[NH+]1CCC(C)CC1 ZINC000656305060 484631795 /nfs/dbraw/zinc/63/17/95/484631795.db2.gz OIVITLXNAYQZBZ-HRCADAONSA-N 2 0 352.479 -0.500 20 0 FBADRP C[C@H](CNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)[NH+]1CCC(C)CC1 ZINC000656305061 484631576 /nfs/dbraw/zinc/63/15/76/484631576.db2.gz OIVITLXNAYQZBZ-OWCLPIDISA-N 2 0 352.479 -0.500 20 0 FBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000656307950 484632542 /nfs/dbraw/zinc/63/25/42/484632542.db2.gz VIAXRUGRZKZOKM-KFWWJZLASA-N 2 0 367.494 -0.854 20 0 FBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000656307951 484633524 /nfs/dbraw/zinc/63/35/24/484633524.db2.gz VIAXRUGRZKZOKM-SOUVJXGZSA-N 2 0 367.494 -0.854 20 0 FBADRP CCCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656307997 484633357 /nfs/dbraw/zinc/63/33/57/484633357.db2.gz YVQPUSYYJZZIKN-JKSUJKDBSA-N 2 0 352.479 -0.356 20 0 FBADRP C[NH+](C)CC1CCC(NC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656308420 484633885 /nfs/dbraw/zinc/63/38/85/484633885.db2.gz DSMFGOPVTKFDAL-SSHXOBKSSA-N 2 0 352.479 -0.500 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCC[NH+]3CCCC[C@H]23)C1 ZINC000656312443 484636774 /nfs/dbraw/zinc/63/67/74/484636774.db2.gz VADHAIQSHPAEDI-ARFHVFGLSA-N 2 0 352.479 -0.044 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCC[NH+]3CCCC[C@H]23)C1 ZINC000656312444 484636630 /nfs/dbraw/zinc/63/66/30/484636630.db2.gz VADHAIQSHPAEDI-HRCADAONSA-N 2 0 352.479 -0.044 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCC[NH+]3CCCC[C@@H]23)C1 ZINC000656312446 484636557 /nfs/dbraw/zinc/63/65/57/484636557.db2.gz VADHAIQSHPAEDI-JYJNAYRXSA-N 2 0 352.479 -0.044 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCC[NH+]3CCCC[C@@H]23)C1 ZINC000656312449 484636604 /nfs/dbraw/zinc/63/66/04/484636604.db2.gz VADHAIQSHPAEDI-XHSDSOJGSA-N 2 0 352.479 -0.044 20 0 FBADRP CC[NH+]1CCC(CCNC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656313237 484634990 /nfs/dbraw/zinc/63/49/90/484634990.db2.gz PEBULCFHHPMRPB-JKSUJKDBSA-N 2 0 352.479 -0.498 20 0 FBADRP C[C@H](CNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)[NH+](C)Cc1ccccc1 ZINC000656313315 484635959 /nfs/dbraw/zinc/63/59/59/484635959.db2.gz QASJWTQFLFYUEO-BPQIPLTHSA-N 2 0 374.485 -0.100 20 0 FBADRP C[C@@H](CNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)[NH+](C)Cc1ccccc1 ZINC000656313316 484634809 /nfs/dbraw/zinc/63/48/09/484634809.db2.gz QASJWTQFLFYUEO-RYQLBKOJSA-N 2 0 374.485 -0.100 20 0 FBADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)CC1 ZINC000656314817 484635670 /nfs/dbraw/zinc/63/56/70/484635670.db2.gz DJRCKLJLMIZZDC-HNNXBMFYSA-N 2 0 353.511 -0.319 20 0 FBADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC000656314818 484635123 /nfs/dbraw/zinc/63/51/23/484635123.db2.gz DJRCKLJLMIZZDC-OAHLLOKOSA-N 2 0 353.511 -0.319 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000656315048 484637488 /nfs/dbraw/zinc/63/74/88/484637488.db2.gz GUNNWVGNDCVXRB-BZUAXINKSA-N 2 0 351.495 -0.519 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N[C@@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000656315049 484637749 /nfs/dbraw/zinc/63/77/49/484637749.db2.gz GUNNWVGNDCVXRB-OAGGEKHMSA-N 2 0 351.495 -0.519 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N[C@H]1CCC[NH+]2CCCC[C@H]12 ZINC000656315050 484636936 /nfs/dbraw/zinc/63/69/36/484636936.db2.gz GUNNWVGNDCVXRB-OWCLPIDISA-N 2 0 351.495 -0.519 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N[C@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000656315051 484637389 /nfs/dbraw/zinc/63/73/89/484637389.db2.gz GUNNWVGNDCVXRB-PMPSAXMXSA-N 2 0 351.495 -0.519 20 0 FBADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656315053 484637137 /nfs/dbraw/zinc/63/71/37/484637137.db2.gz HAVPPUIRKCPPSD-HRCADAONSA-N 2 0 352.479 -0.356 20 0 FBADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656315054 484636665 /nfs/dbraw/zinc/63/66/65/484636665.db2.gz HAVPPUIRKCPPSD-OWCLPIDISA-N 2 0 352.479 -0.356 20 0 FBADRP C[NH+](C)[C@@H]1C[C@H](CNC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000656315090 484638022 /nfs/dbraw/zinc/63/80/22/484638022.db2.gz HWJSJFIRLXLTIX-INMHGKMJSA-N 2 0 365.522 -0.273 20 0 FBADRP C[NH+](C)[C@@H]1C[C@H](CNC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000656315091 484637790 /nfs/dbraw/zinc/63/77/90/484637790.db2.gz HWJSJFIRLXLTIX-YQQAZPJKSA-N 2 0 365.522 -0.273 20 0 FBADRP C[NH+](C)CC[C@@H](NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)C(C)(C)C ZINC000656315158 484637877 /nfs/dbraw/zinc/63/78/77/484637877.db2.gz FELUQYVFYPDNAO-RRFJBIMHSA-N 2 0 354.495 -0.254 20 0 FBADRP C[NH+](C)CC[C@H](NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)C(C)(C)C ZINC000656315159 484636714 /nfs/dbraw/zinc/63/67/14/484636714.db2.gz FELUQYVFYPDNAO-ZNMIVQPWSA-N 2 0 354.495 -0.254 20 0 FBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000656317900 484636547 /nfs/dbraw/zinc/63/65/47/484636547.db2.gz HCACNFMEJQXDSS-GASCZTMLSA-N 2 0 353.511 -0.415 20 0 FBADRP O=C(NC1CC([NH+]2CCCCC2)C1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656322602 484642039 /nfs/dbraw/zinc/64/20/39/484642039.db2.gz SPDVGQYFHFWNLE-SSHXOBKSSA-N 2 0 350.463 -0.603 20 0 FBADRP CC(C)[NH+](CCCNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)C(C)C ZINC000656322995 484642929 /nfs/dbraw/zinc/64/29/29/484642929.db2.gz UIQNZXPAVMALPG-JKSUJKDBSA-N 2 0 354.495 -0.111 20 0 FBADRP C[C@@H](CCNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)[NH+]1CCCCC1 ZINC000656324251 484640075 /nfs/dbraw/zinc/64/00/75/484640075.db2.gz OPXLFJNFGBXGFR-HRCADAONSA-N 2 0 352.479 -0.356 20 0 FBADRP C[C@H](CCNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)[NH+]1CCCCC1 ZINC000656324252 484640723 /nfs/dbraw/zinc/64/07/23/484640723.db2.gz OPXLFJNFGBXGFR-OWCLPIDISA-N 2 0 352.479 -0.356 20 0 FBADRP CC(C)(CNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)C[NH+]1CCCC1 ZINC000656324686 484640817 /nfs/dbraw/zinc/64/08/17/484640817.db2.gz XTHZTZZIDAFEOE-LSDHHAIUSA-N 2 0 352.479 -0.498 20 0 FBADRP C[NH+](C)CC1(CNC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CCCC1 ZINC000656325304 484640088 /nfs/dbraw/zinc/64/00/88/484640088.db2.gz ODWKTOVSSUCTKB-LSDHHAIUSA-N 2 0 352.479 -0.498 20 0 FBADRP C[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)[C@H]1c1ccccc1 ZINC000656326227 484640128 /nfs/dbraw/zinc/64/01/28/484640128.db2.gz JTVXOWUUBWYSLJ-BSDSXHPESA-N 2 0 372.469 -0.175 20 0 FBADRP C[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)[C@@H]1c1ccccc1 ZINC000656326230 484640047 /nfs/dbraw/zinc/64/00/47/484640047.db2.gz JTVXOWUUBWYSLJ-MHORFTMASA-N 2 0 372.469 -0.175 20 0 FBADRP C[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)[C@@H]1c1ccccc1 ZINC000656326232 484641100 /nfs/dbraw/zinc/64/11/00/484641100.db2.gz JTVXOWUUBWYSLJ-MLHJIOFPSA-N 2 0 372.469 -0.175 20 0 FBADRP C[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)[C@H]1c1ccccc1 ZINC000656326233 484640207 /nfs/dbraw/zinc/64/02/07/484640207.db2.gz JTVXOWUUBWYSLJ-XWTMOSNGSA-N 2 0 372.469 -0.175 20 0 FBADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656330460 484643791 /nfs/dbraw/zinc/64/37/91/484643791.db2.gz CSGFOSVZCUYPNW-IXDOHACOSA-N 2 0 366.506 -0.252 20 0 FBADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656330462 484644084 /nfs/dbraw/zinc/64/40/84/484644084.db2.gz CSGFOSVZCUYPNW-YESZJQIVSA-N 2 0 366.506 -0.252 20 0 FBADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656336684 484647339 /nfs/dbraw/zinc/64/73/39/484647339.db2.gz LDLSLYSHVLHDDW-RRFJBIMHSA-N 2 0 352.479 -0.500 20 0 FBADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656336685 484647128 /nfs/dbraw/zinc/64/71/28/484647128.db2.gz LDLSLYSHVLHDDW-ZNMIVQPWSA-N 2 0 352.479 -0.500 20 0 FBADRP O=C(NC[C@@H]1CCCC[NH+]1C1CC1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656337210 484647057 /nfs/dbraw/zinc/64/70/57/484647057.db2.gz PVXDEYMECJDXMR-HRCADAONSA-N 2 0 350.463 -0.603 20 0 FBADRP O=C(NC[C@H]1CCCC[NH+]1C1CC1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656337212 484647377 /nfs/dbraw/zinc/64/73/77/484647377.db2.gz PVXDEYMECJDXMR-OWCLPIDISA-N 2 0 350.463 -0.603 20 0 FBADRP O=C(N[C@H]1CCC[NH+]2CCCC[C@@H]12)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656358365 484653760 /nfs/dbraw/zinc/65/37/60/484653760.db2.gz QSMSWIPNXDZEEE-FZKCQIBNSA-N 2 0 350.463 -0.603 20 0 FBADRP O=C(N[C@@H]1CCC[NH+]2CCCC[C@@H]12)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656358367 484654378 /nfs/dbraw/zinc/65/43/78/484654378.db2.gz QSMSWIPNXDZEEE-JJXSEGSLSA-N 2 0 350.463 -0.603 20 0 FBADRP O=C(N[C@H]1CCC[NH+]2CCCC[C@H]12)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656358369 484653560 /nfs/dbraw/zinc/65/35/60/484653560.db2.gz QSMSWIPNXDZEEE-XUWVNRHRSA-N 2 0 350.463 -0.603 20 0 FBADRP O=C(N[C@@H]1CCC[NH+]2CCCC[C@H]12)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656358371 484654058 /nfs/dbraw/zinc/65/40/58/484654058.db2.gz QSMSWIPNXDZEEE-ZJIFWQFVSA-N 2 0 350.463 -0.603 20 0 FBADRP O=C(CN1CC[C@@H]2OCC(=O)N[C@H]2C1)N1CCN(Cc2ccccc2)CC1 ZINC000656586599 484673897 /nfs/dbraw/zinc/67/38/97/484673897.db2.gz MYYZBMYGNSBKGS-ROUUACIJSA-N 2 0 372.469 -0.080 20 0 FBADRP CO[C@@H](CS(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)[C@@H]1CCOC1 ZINC000656893667 484689852 /nfs/dbraw/zinc/68/98/52/484689852.db2.gz FDWWSCCVWSKFPI-CABCVRRESA-N 2 0 351.513 -0.207 20 0 FBADRP CO[C@@H](CS(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)[C@H]1CCOC1 ZINC000656893674 484689359 /nfs/dbraw/zinc/68/93/59/484689359.db2.gz FDWWSCCVWSKFPI-GJZGRUSLSA-N 2 0 351.513 -0.207 20 0 FBADRP CO[C@H](CS(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)[C@@H]1CCOC1 ZINC000656893676 484689711 /nfs/dbraw/zinc/68/97/11/484689711.db2.gz FDWWSCCVWSKFPI-HUUCEWRRSA-N 2 0 351.513 -0.207 20 0 FBADRP CO[C@H](CS(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)[C@H]1CCOC1 ZINC000656893677 484690048 /nfs/dbraw/zinc/69/00/48/484690048.db2.gz FDWWSCCVWSKFPI-LSDHHAIUSA-N 2 0 351.513 -0.207 20 0 FBADRP Cn1cc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c(=O)n(C)c1=O ZINC000657595758 484797743 /nfs/dbraw/zinc/79/77/43/484797743.db2.gz RZFLRTDUSVHJIB-KRWDZBQOSA-N 2 0 358.442 -0.060 20 0 FBADRP Cn1cc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c(=O)n(C)c1=O ZINC000657595763 484797203 /nfs/dbraw/zinc/79/72/03/484797203.db2.gz RZFLRTDUSVHJIB-QGZVFWFLSA-N 2 0 358.442 -0.060 20 0 FBADRP COCc1nccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)n1 ZINC000657839042 484825922 /nfs/dbraw/zinc/82/59/22/484825922.db2.gz KFPHLLRHCIGHPL-UHFFFAOYSA-N 2 0 352.439 -0.487 20 0 FBADRP Cc1cc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(N(C)C)nn1 ZINC000657839145 484825628 /nfs/dbraw/zinc/82/56/28/484825628.db2.gz MXLLQOHTWZDFAG-UHFFFAOYSA-N 2 0 365.482 -0.259 20 0 FBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000658115604 485105109 /nfs/dbraw/zinc/10/51/09/485105109.db2.gz UPWQMNXRCOGHGV-INIZCTEOSA-N 2 0 353.511 -0.365 20 0 FBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000658115607 485104542 /nfs/dbraw/zinc/10/45/42/485104542.db2.gz UPWQMNXRCOGHGV-MRXNPFEDSA-N 2 0 353.511 -0.365 20 0 FBADRP CC1(C)CN(C(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)CCN1CCO ZINC000658146438 485113294 /nfs/dbraw/zinc/11/32/94/485113294.db2.gz APNGSOJKEVEQFQ-UHFFFAOYSA-N 2 0 366.506 -0.012 20 0 FBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N2CCN(C[C@@H]3CCCO3)CC2)CC1 ZINC000658222180 485132831 /nfs/dbraw/zinc/13/28/31/485132831.db2.gz JHCMJNKBSCYZBP-INIZCTEOSA-N 2 0 352.479 -0.136 20 0 FBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N2CCN(C[C@H]3CCCO3)CC2)CC1 ZINC000658222182 485132615 /nfs/dbraw/zinc/13/26/15/485132615.db2.gz JHCMJNKBSCYZBP-MRXNPFEDSA-N 2 0 352.479 -0.136 20 0 FBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC(C[NH+]4CCOCC4)CC3)C[C@@H]21 ZINC000658393070 485143852 /nfs/dbraw/zinc/14/38/52/485143852.db2.gz JXTSIYVKWTYAAB-SJORKVTESA-N 2 0 364.490 -0.280 20 0 FBADRP Cc1cc(NC(=O)C(=O)NCCN(C)CCC[NH+](C)C)cn(C)c1=O ZINC000658428534 484327430 /nfs/dbraw/zinc/32/74/30/484327430.db2.gz LPZUUENKRIOZNH-UHFFFAOYSA-N 2 0 351.451 -0.368 20 0 FBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000658461271 485149542 /nfs/dbraw/zinc/14/95/42/485149542.db2.gz ZXRMLOOUULQBAT-DLBZAZTESA-N 2 0 366.506 -0.013 20 0 FBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000658461272 485149599 /nfs/dbraw/zinc/14/95/99/485149599.db2.gz ZXRMLOOUULQBAT-IAGOWNOFSA-N 2 0 366.506 -0.013 20 0 FBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)C1 ZINC000658461273 485149451 /nfs/dbraw/zinc/14/94/51/485149451.db2.gz ZXRMLOOUULQBAT-IRXDYDNUSA-N 2 0 366.506 -0.013 20 0 FBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)C1 ZINC000658461274 485047733 /nfs/dbraw/zinc/04/77/33/485047733.db2.gz ZXRMLOOUULQBAT-SJORKVTESA-N 2 0 366.506 -0.013 20 0 FBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CCN(C3CC3)CC2)CCO1 ZINC000658462085 485150740 /nfs/dbraw/zinc/15/07/40/485150740.db2.gz DYCNDYAEURRFLJ-INIZCTEOSA-N 2 0 352.479 -0.138 20 0 FBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)CC1 ZINC000658464287 485150815 /nfs/dbraw/zinc/15/08/15/485150815.db2.gz OEYWALKLBBLLGS-INIZCTEOSA-N 2 0 352.479 -0.402 20 0 FBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)CC1 ZINC000658464288 485150763 /nfs/dbraw/zinc/15/07/63/485150763.db2.gz OEYWALKLBBLLGS-MRXNPFEDSA-N 2 0 352.479 -0.402 20 0 FBADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000658486687 485151490 /nfs/dbraw/zinc/15/14/90/485151490.db2.gz LTZKQDKYDAQISX-DOTOQJQBSA-N 2 0 366.506 -0.156 20 0 FBADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000658486690 485151446 /nfs/dbraw/zinc/15/14/46/485151446.db2.gz LTZKQDKYDAQISX-NVXWUHKLSA-N 2 0 366.506 -0.156 20 0 FBADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000658486693 485135045 /nfs/dbraw/zinc/13/50/45/485135045.db2.gz LTZKQDKYDAQISX-RDJZCZTQSA-N 2 0 366.506 -0.156 20 0 FBADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000658486702 485135580 /nfs/dbraw/zinc/13/55/80/485135580.db2.gz LTZKQDKYDAQISX-WBVHZDCISA-N 2 0 366.506 -0.156 20 0 FBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000658520939 485215473 /nfs/dbraw/zinc/21/54/73/485215473.db2.gz AQEISZYKHNQIDR-INIZCTEOSA-N 2 0 352.479 -0.402 20 0 FBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000658520944 485215226 /nfs/dbraw/zinc/21/52/26/485215226.db2.gz AQEISZYKHNQIDR-MRXNPFEDSA-N 2 0 352.479 -0.402 20 0 FBADRP O=C(C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000658523382 485154111 /nfs/dbraw/zinc/15/41/11/485154111.db2.gz HFGKGIKGLFVVOH-DLBZAZTESA-N 2 0 364.490 -0.259 20 0 FBADRP O=C(C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000658523383 485153430 /nfs/dbraw/zinc/15/34/30/485153430.db2.gz HFGKGIKGLFVVOH-IAGOWNOFSA-N 2 0 364.490 -0.259 20 0 FBADRP O=C(C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000658523384 485153492 /nfs/dbraw/zinc/15/34/92/485153492.db2.gz HFGKGIKGLFVVOH-IRXDYDNUSA-N 2 0 364.490 -0.259 20 0 FBADRP O=C(C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000658523385 485153840 /nfs/dbraw/zinc/15/38/40/485153840.db2.gz HFGKGIKGLFVVOH-SJORKVTESA-N 2 0 364.490 -0.259 20 0 FBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)C1 ZINC000658530073 485155089 /nfs/dbraw/zinc/15/50/89/485155089.db2.gz URXIHTIDFMGOQR-CVEARBPZSA-N 2 0 352.479 -0.403 20 0 FBADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)C1 ZINC000658530074 485155171 /nfs/dbraw/zinc/15/51/71/485155171.db2.gz URXIHTIDFMGOQR-HOTGVXAUSA-N 2 0 352.479 -0.403 20 0 FBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000658530075 485154890 /nfs/dbraw/zinc/15/48/90/485154890.db2.gz URXIHTIDFMGOQR-HZPDHXFCSA-N 2 0 352.479 -0.403 20 0 FBADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000658530076 485155004 /nfs/dbraw/zinc/15/50/04/485155004.db2.gz URXIHTIDFMGOQR-JKSUJKDBSA-N 2 0 352.479 -0.403 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@](O)(C2CC2)C1 ZINC000658534492 485155725 /nfs/dbraw/zinc/15/57/25/485155725.db2.gz CILLHLSXKOJZGY-GOSISDBHSA-N 2 0 354.495 -0.298 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@](O)(C2CC2)C1 ZINC000658534494 485155787 /nfs/dbraw/zinc/15/57/87/485155787.db2.gz CILLHLSXKOJZGY-SFHVURJKSA-N 2 0 354.495 -0.298 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N(C)CC2C[NH+](C)C2)CC1 ZINC000658534513 485155549 /nfs/dbraw/zinc/15/55/49/485155549.db2.gz CJVNPQJXLVULJU-UHFFFAOYSA-N 2 0 367.494 -0.981 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCO[C@@](C)(C2CC2)C1 ZINC000658534901 485156331 /nfs/dbraw/zinc/15/63/31/485156331.db2.gz FKBMDAPODGBDFT-GOSISDBHSA-N 2 0 354.495 -0.034 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCO[C@](C)(C2CC2)C1 ZINC000658534902 485156353 /nfs/dbraw/zinc/15/63/53/485156353.db2.gz FKBMDAPODGBDFT-SFHVURJKSA-N 2 0 354.495 -0.034 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H](Cn2ccnn2)C1 ZINC000658535739 485249730 /nfs/dbraw/zinc/24/97/30/485249730.db2.gz JJRNPXPZOXDFOD-HNNXBMFYSA-N 2 0 365.482 -0.922 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](Cn2ccnn2)C1 ZINC000658535740 485249592 /nfs/dbraw/zinc/24/95/92/485249592.db2.gz JJRNPXPZOXDFOD-OAHLLOKOSA-N 2 0 365.482 -0.922 20 0 FBADRP COc1ccnc(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1F ZINC000658535790 485156300 /nfs/dbraw/zinc/15/63/00/485156300.db2.gz KYYZQTIMUQMQAM-UHFFFAOYSA-N 2 0 369.441 -0.203 20 0 FBADRP Cc1nnc(CN(C)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)s1 ZINC000658536456 485156163 /nfs/dbraw/zinc/15/61/63/485156163.db2.gz OURIADGFKHGQFC-UHFFFAOYSA-N 2 0 356.496 -0.243 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658536995 485250620 /nfs/dbraw/zinc/25/06/20/485250620.db2.gz RPRZRDXSBLJUQE-HNNXBMFYSA-N 3 0 355.527 -0.073 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658536996 485250718 /nfs/dbraw/zinc/25/07/18/485250718.db2.gz RPRZRDXSBLJUQE-OAHLLOKOSA-N 3 0 355.527 -0.073 20 0 FBADRP Cc1cncc(CCNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)n1 ZINC000658537447 485155855 /nfs/dbraw/zinc/15/58/55/485155855.db2.gz WKYLAZAMZLGXFU-UHFFFAOYSA-N 2 0 350.467 -0.604 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N(C)CC3C[NH+](C)C3)CC2)c1 ZINC000658538430 485156953 /nfs/dbraw/zinc/15/69/53/485156953.db2.gz IQEIXXCRXVZJKQ-UHFFFAOYSA-N 2 0 361.446 -0.241 20 0 FBADRP CN(C(=O)C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000658542510 485157510 /nfs/dbraw/zinc/15/75/10/485157510.db2.gz VJJJOYBZIXDYLV-DLBZAZTESA-N 2 0 364.490 -0.261 20 0 FBADRP CN(C(=O)C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000658542511 485157435 /nfs/dbraw/zinc/15/74/35/485157435.db2.gz VJJJOYBZIXDYLV-IAGOWNOFSA-N 2 0 364.490 -0.261 20 0 FBADRP CN(C(=O)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000658542512 485156876 /nfs/dbraw/zinc/15/68/76/485156876.db2.gz VJJJOYBZIXDYLV-IRXDYDNUSA-N 2 0 364.490 -0.261 20 0 FBADRP CN(C(=O)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000658542513 485156974 /nfs/dbraw/zinc/15/69/74/485156974.db2.gz VJJJOYBZIXDYLV-SJORKVTESA-N 2 0 364.490 -0.261 20 0 FBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000658542593 485157304 /nfs/dbraw/zinc/15/73/04/485157304.db2.gz WLYVPNUEQLZZKW-INIZCTEOSA-N 2 0 370.494 -0.919 20 0 FBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000658542597 485157341 /nfs/dbraw/zinc/15/73/41/485157341.db2.gz WLYVPNUEQLZZKW-MRXNPFEDSA-N 2 0 370.494 -0.919 20 0 FBADRP CN(CC1C[NH+](C)C1)C(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000658549313 485158180 /nfs/dbraw/zinc/15/81/80/485158180.db2.gz ZXTYIIXSPBYIOC-KRWDZBQOSA-N 2 0 365.522 -0.365 20 0 FBADRP CN(CC1C[NH+](C)C1)C(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000658549315 485158965 /nfs/dbraw/zinc/15/89/65/485158965.db2.gz ZXTYIIXSPBYIOC-QGZVFWFLSA-N 2 0 365.522 -0.365 20 0 FBADRP CN(CC1C[NH+](C)C1)C(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000658554676 485159689 /nfs/dbraw/zinc/15/96/89/485159689.db2.gz JSKZNIYZVZZEFS-INIZCTEOSA-N 2 0 351.495 -0.755 20 0 FBADRP CN(CC1C[NH+](C)C1)C(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000658554677 485159589 /nfs/dbraw/zinc/15/95/89/485159589.db2.gz JSKZNIYZVZZEFS-MRXNPFEDSA-N 2 0 351.495 -0.755 20 0 FBADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000658567797 485161963 /nfs/dbraw/zinc/16/19/63/485161963.db2.gz DRICHMXIKLQTEC-KRWDZBQOSA-N 2 0 366.506 -0.012 20 0 FBADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000658567799 485162093 /nfs/dbraw/zinc/16/20/93/485162093.db2.gz DRICHMXIKLQTEC-QGZVFWFLSA-N 2 0 366.506 -0.012 20 0 FBADRP CN(CC1C[NH+](C)C1)C(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000658570252 485162690 /nfs/dbraw/zinc/16/26/90/485162690.db2.gz AVNQLOWBRAPNPA-UHFFFAOYSA-N 2 0 352.479 -0.423 20 0 FBADRP CN(CC1C[NH+](C)C1)C(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000658620544 485168155 /nfs/dbraw/zinc/16/81/55/485168155.db2.gz QZSKHVQGBIAUFR-OAHLLOKOSA-N 2 0 352.479 -0.423 20 0 FBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N(C)CC2C[NH+](C)C2)CC1 ZINC000658620984 485168809 /nfs/dbraw/zinc/16/88/09/485168809.db2.gz XMMRTNIOWLSABK-UHFFFAOYSA-N 2 0 361.446 -0.241 20 0 FBADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N(C)CC1C[NH+](C)C1 ZINC000658624071 485169570 /nfs/dbraw/zinc/16/95/70/485169570.db2.gz IROZXMAFWYUJIY-AWEZNQCLSA-N 2 0 352.479 -0.282 20 0 FBADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N(C)CC1C[NH+](C)C1 ZINC000658624074 485169695 /nfs/dbraw/zinc/16/96/95/485169695.db2.gz IROZXMAFWYUJIY-CQSZACIVSA-N 2 0 352.479 -0.282 20 0 FBADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CCN([C@@H]3CCOC3)CC2)C1 ZINC000658644925 485170208 /nfs/dbraw/zinc/17/02/08/485170208.db2.gz OOHSYJMVHFEHGR-BRWVUGGUSA-N 2 0 364.490 -0.138 20 0 FBADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CCN([C@@H]3CCOC3)CC2)C1 ZINC000658644927 485170456 /nfs/dbraw/zinc/17/04/56/485170456.db2.gz OOHSYJMVHFEHGR-GVDBMIGSSA-N 2 0 364.490 -0.138 20 0 FBADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CCN([C@H]3CCOC3)CC2)C1 ZINC000658644929 485170795 /nfs/dbraw/zinc/17/07/95/485170795.db2.gz OOHSYJMVHFEHGR-IXDOHACOSA-N 2 0 364.490 -0.138 20 0 FBADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CCN([C@H]3CCOC3)CC2)C1 ZINC000658644931 485170586 /nfs/dbraw/zinc/17/05/86/485170586.db2.gz OOHSYJMVHFEHGR-YESZJQIVSA-N 2 0 364.490 -0.138 20 0 FBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000658652253 485171431 /nfs/dbraw/zinc/17/14/31/485171431.db2.gz XCPHJCAXNAMBFP-INIZCTEOSA-N 2 0 354.495 -0.156 20 0 FBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000658652255 485171473 /nfs/dbraw/zinc/17/14/73/485171473.db2.gz XCPHJCAXNAMBFP-MRXNPFEDSA-N 2 0 354.495 -0.156 20 0 FBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N(C)CC2C[NH+](C)C2)C1 ZINC000658658998 485171345 /nfs/dbraw/zinc/17/13/45/485171345.db2.gz GPDYFXUQTFWPJF-INIZCTEOSA-N 2 0 354.495 -0.034 20 0 FBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N(C)CC2C[NH+](C)C2)C1 ZINC000658659000 485171462 /nfs/dbraw/zinc/17/14/62/485171462.db2.gz GPDYFXUQTFWPJF-MRXNPFEDSA-N 2 0 354.495 -0.034 20 0 FBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000658678024 485174406 /nfs/dbraw/zinc/17/44/06/485174406.db2.gz FRSAWNNLNVREDN-INIZCTEOSA-N 2 0 354.495 -0.157 20 0 FBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000658678026 485174074 /nfs/dbraw/zinc/17/40/74/485174074.db2.gz FRSAWNNLNVREDN-MRXNPFEDSA-N 2 0 354.495 -0.157 20 0 FBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000658690868 485175906 /nfs/dbraw/zinc/17/59/06/485175906.db2.gz VJKBTGYHXNGJBL-INIZCTEOSA-N 2 0 352.479 -0.403 20 0 FBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000658690869 485175833 /nfs/dbraw/zinc/17/58/33/485175833.db2.gz VJKBTGYHXNGJBL-MRXNPFEDSA-N 2 0 352.479 -0.403 20 0 FBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCC([NH+]4CC[C@@H](O)C4)CC3)[C@@H]2C1 ZINC000658711680 485178747 /nfs/dbraw/zinc/17/87/47/485178747.db2.gz OQKNCMPUJQQIFU-DJIMGWMZSA-N 2 0 364.490 -0.403 20 0 FBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCC([NH+]4CC[C@H](O)C4)CC3)[C@@H]2C1 ZINC000658711682 485179693 /nfs/dbraw/zinc/17/96/93/485179693.db2.gz OQKNCMPUJQQIFU-HYVNUMGLSA-N 2 0 364.490 -0.403 20 0 FBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCC([NH+]4CC[C@@H](O)C4)CC3)[C@H]2C1 ZINC000658711684 485179590 /nfs/dbraw/zinc/17/95/90/485179590.db2.gz OQKNCMPUJQQIFU-OIISXLGYSA-N 2 0 364.490 -0.403 20 0 FBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCC([NH+]4CC[C@H](O)C4)CC3)[C@H]2C1 ZINC000658711686 485179457 /nfs/dbraw/zinc/17/94/57/485179457.db2.gz OQKNCMPUJQQIFU-PVAVHDDUSA-N 2 0 364.490 -0.403 20 0 FBADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000658737122 485181240 /nfs/dbraw/zinc/18/12/40/485181240.db2.gz NUTQMJHFGINYPE-INIZCTEOSA-N 2 0 366.506 -0.013 20 0 FBADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000658737123 485180888 /nfs/dbraw/zinc/18/08/88/485180888.db2.gz NUTQMJHFGINYPE-MRXNPFEDSA-N 2 0 366.506 -0.013 20 0 FBADRP CN(CC1C[NH+](C)C1)C(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000658748043 485181798 /nfs/dbraw/zinc/18/17/98/485181798.db2.gz QZSKHVQGBIAUFR-HNNXBMFYSA-N 2 0 352.479 -0.423 20 0 FBADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)C1 ZINC000658752444 484301184 /nfs/dbraw/zinc/30/11/84/484301184.db2.gz WHQMWIBIHXFUTF-DLBZAZTESA-N 2 0 366.506 -0.015 20 0 FBADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)C1 ZINC000658752451 484301081 /nfs/dbraw/zinc/30/10/81/484301081.db2.gz WHQMWIBIHXFUTF-IAGOWNOFSA-N 2 0 366.506 -0.015 20 0 FBADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)C1 ZINC000658752454 484301015 /nfs/dbraw/zinc/30/10/15/484301015.db2.gz WHQMWIBIHXFUTF-IRXDYDNUSA-N 2 0 366.506 -0.015 20 0 FBADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)C1 ZINC000658752458 484299799 /nfs/dbraw/zinc/29/97/99/484299799.db2.gz WHQMWIBIHXFUTF-SJORKVTESA-N 2 0 366.506 -0.015 20 0 FBADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000658757288 485183111 /nfs/dbraw/zinc/18/31/11/485183111.db2.gz HHMXTZUEUOYDSJ-CVEARBPZSA-N 2 0 352.479 -0.403 20 0 FBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000658757289 485183355 /nfs/dbraw/zinc/18/33/55/485183355.db2.gz HHMXTZUEUOYDSJ-HOTGVXAUSA-N 2 0 352.479 -0.403 20 0 FBADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000658757290 485182880 /nfs/dbraw/zinc/18/28/80/485182880.db2.gz HHMXTZUEUOYDSJ-HZPDHXFCSA-N 2 0 352.479 -0.403 20 0 FBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000658757291 485183077 /nfs/dbraw/zinc/18/30/77/485183077.db2.gz HHMXTZUEUOYDSJ-JKSUJKDBSA-N 2 0 352.479 -0.403 20 0 FBADRP CCCN(C(=O)C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1)[C@H]1CC[N@H+](C)C1 ZINC000658770707 485184891 /nfs/dbraw/zinc/18/48/91/485184891.db2.gz RVALUXXOVGCYLD-DLBZAZTESA-N 2 0 366.506 -0.013 20 0 FBADRP CCCN(C(=O)C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000658770708 485184780 /nfs/dbraw/zinc/18/47/80/485184780.db2.gz RVALUXXOVGCYLD-IAGOWNOFSA-N 2 0 366.506 -0.013 20 0 FBADRP CCCN(C(=O)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1)[C@H]1CC[N@H+](C)C1 ZINC000658770709 485185230 /nfs/dbraw/zinc/18/52/30/485185230.db2.gz RVALUXXOVGCYLD-IRXDYDNUSA-N 2 0 366.506 -0.013 20 0 FBADRP CCCN(C(=O)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000658770710 485184833 /nfs/dbraw/zinc/18/48/33/485184833.db2.gz RVALUXXOVGCYLD-SJORKVTESA-N 2 0 366.506 -0.013 20 0 FBADRP C[NH+](C)CCN1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CC1=O ZINC000658776641 485184796 /nfs/dbraw/zinc/18/47/96/485184796.db2.gz YNZCYBNUPPTZJT-AWEZNQCLSA-N 2 0 367.494 -0.792 20 0 FBADRP C[NH+](C)CCN1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CC1=O ZINC000658776642 485185142 /nfs/dbraw/zinc/18/51/42/485185142.db2.gz YNZCYBNUPPTZJT-CQSZACIVSA-N 2 0 367.494 -0.792 20 0 FBADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000658782860 485186024 /nfs/dbraw/zinc/18/60/24/485186024.db2.gz VIRVVACDOLTTAM-KRWDZBQOSA-N 2 0 366.506 -0.012 20 0 FBADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000658782861 485186426 /nfs/dbraw/zinc/18/64/26/485186426.db2.gz VIRVVACDOLTTAM-QGZVFWFLSA-N 2 0 366.506 -0.012 20 0 FBADRP CCN(C(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1)[C@H]1CC[N@H+](C)C1 ZINC000658800791 485188487 /nfs/dbraw/zinc/18/84/87/485188487.db2.gz AHVOKFWMJSIQDA-INIZCTEOSA-N 2 0 353.511 -0.365 20 0 FBADRP CCN(C(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000658800792 485187796 /nfs/dbraw/zinc/18/77/96/485187796.db2.gz AHVOKFWMJSIQDA-MRXNPFEDSA-N 2 0 353.511 -0.365 20 0 FBADRP CCN(C(=O)C(=O)N(C)CCC[NH+](C)CCN(C)C)[C@H]1CC[N@H+](C)C1 ZINC000658800823 485188580 /nfs/dbraw/zinc/18/85/80/485188580.db2.gz AUQPUZAGVWCIKK-INIZCTEOSA-N 2 0 355.527 -0.119 20 0 FBADRP CCN(C(=O)C(=O)N(C)CCC[NH+](C)CCN(C)C)[C@@H]1CC[N@H+](C)C1 ZINC000658800824 485188022 /nfs/dbraw/zinc/18/80/22/485188022.db2.gz AUQPUZAGVWCIKK-MRXNPFEDSA-N 2 0 355.527 -0.119 20 0 FBADRP CCN(C(=O)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000658802770 485189729 /nfs/dbraw/zinc/18/97/29/485189729.db2.gz LMGDMHJZEILOIQ-CVEARBPZSA-N 2 0 352.479 -0.403 20 0 FBADRP CCN(C(=O)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1)[C@H]1CC[N@H+](C)C1 ZINC000658802772 485189854 /nfs/dbraw/zinc/18/98/54/485189854.db2.gz LMGDMHJZEILOIQ-HOTGVXAUSA-N 2 0 352.479 -0.403 20 0 FBADRP CCN(C(=O)C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000658802774 485189113 /nfs/dbraw/zinc/18/91/13/485189113.db2.gz LMGDMHJZEILOIQ-HZPDHXFCSA-N 2 0 352.479 -0.403 20 0 FBADRP CCN(C(=O)C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1)[C@H]1CC[N@H+](C)C1 ZINC000658802775 485189582 /nfs/dbraw/zinc/18/95/82/485189582.db2.gz LMGDMHJZEILOIQ-JKSUJKDBSA-N 2 0 352.479 -0.403 20 0 FBADRP CCN(C(=O)C(=O)N1CCC([NH+](C)CCCO)CC1)[C@H]1CC[N@H+](C)C1 ZINC000658803365 484481856 /nfs/dbraw/zinc/48/18/56/484481856.db2.gz SMIKPRLCCXWEEC-INIZCTEOSA-N 2 0 354.495 -0.156 20 0 FBADRP CCN(C(=O)C(=O)N1CCC([NH+](C)CCCO)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000658803366 484481253 /nfs/dbraw/zinc/48/12/53/484481253.db2.gz SMIKPRLCCXWEEC-MRXNPFEDSA-N 2 0 354.495 -0.156 20 0 FBADRP CCN(C(=O)C(=O)N1CCOC2(CC[NH+](C)CC2)C1)[C@H]1CC[N@H+](C)C1 ZINC000658803867 485190006 /nfs/dbraw/zinc/19/00/06/485190006.db2.gz QZGAIZINCQTPRY-HNNXBMFYSA-N 2 0 352.479 -0.138 20 0 FBADRP CCN(C(=O)C(=O)N1CCOC2(CC[NH+](C)CC2)C1)[C@@H]1CC[N@H+](C)C1 ZINC000658803868 485189902 /nfs/dbraw/zinc/18/99/02/485189902.db2.gz QZGAIZINCQTPRY-OAHLLOKOSA-N 2 0 352.479 -0.138 20 0 FBADRP CCN(C(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000658808206 484490384 /nfs/dbraw/zinc/49/03/84/484490384.db2.gz VIXWQJWIFXOILL-DLBZAZTESA-N 2 0 365.522 -0.223 20 0 FBADRP CCN(C(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000658808211 484489300 /nfs/dbraw/zinc/48/93/00/484489300.db2.gz VIXWQJWIFXOILL-IAGOWNOFSA-N 2 0 365.522 -0.223 20 0 FBADRP CCN(C(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1)[C@H]1CC[N@H+](C)C1 ZINC000658808216 484489348 /nfs/dbraw/zinc/48/93/48/484489348.db2.gz VIXWQJWIFXOILL-IRXDYDNUSA-N 2 0 365.522 -0.223 20 0 FBADRP CCN(C(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1)[C@H]1CC[N@H+](C)C1 ZINC000658808217 484490469 /nfs/dbraw/zinc/49/04/69/484490469.db2.gz VIXWQJWIFXOILL-SJORKVTESA-N 2 0 365.522 -0.223 20 0 FBADRP CCN(C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)[C@H]1CC[N@H+](CC)C1 ZINC000658820130 484545711 /nfs/dbraw/zinc/54/57/11/484545711.db2.gz CRZSOZLBEZDVMN-HNNXBMFYSA-N 2 0 367.494 -0.839 20 0 FBADRP CCN(C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)[C@@H]1CC[N@H+](CC)C1 ZINC000658820131 484546272 /nfs/dbraw/zinc/54/62/72/484546272.db2.gz CRZSOZLBEZDVMN-OAHLLOKOSA-N 2 0 367.494 -0.839 20 0 FBADRP CCN(C(=O)C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1)[C@H]1CC[N@H+](CC)C1 ZINC000658822936 485190694 /nfs/dbraw/zinc/19/06/94/485190694.db2.gz MOQAFLZQNNBVAE-DLBZAZTESA-N 2 0 366.506 -0.013 20 0 FBADRP CCN(C(=O)C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1)[C@@H]1CC[N@H+](CC)C1 ZINC000658822942 485191216 /nfs/dbraw/zinc/19/12/16/485191216.db2.gz MOQAFLZQNNBVAE-IAGOWNOFSA-N 2 0 366.506 -0.013 20 0 FBADRP CCN(C(=O)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1)[C@H]1CC[N@H+](CC)C1 ZINC000658822946 485190832 /nfs/dbraw/zinc/19/08/32/485190832.db2.gz MOQAFLZQNNBVAE-IRXDYDNUSA-N 2 0 366.506 -0.013 20 0 FBADRP CCN(C(=O)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1)[C@@H]1CC[N@H+](CC)C1 ZINC000658822951 485191389 /nfs/dbraw/zinc/19/13/89/485191389.db2.gz MOQAFLZQNNBVAE-SJORKVTESA-N 2 0 366.506 -0.013 20 0 FBADRP C[N@@H+]1C[C@@H]2CCCN(C(=O)C(=O)N3CCC([NH+]4CC[C@H](O)C4)CC3)[C@@H]2C1 ZINC000658903182 485199475 /nfs/dbraw/zinc/19/94/75/485199475.db2.gz LDOCQBCSUQOSGN-BHYGNILZSA-N 2 0 364.490 -0.403 20 0 FBADRP C[N@@H+]1C[C@@H]2CCCN(C(=O)C(=O)N3CCC([NH+]4CC[C@@H](O)C4)CC3)[C@@H]2C1 ZINC000658903183 485200122 /nfs/dbraw/zinc/20/01/22/485200122.db2.gz LDOCQBCSUQOSGN-USXIJHARSA-N 2 0 364.490 -0.403 20 0 FBADRP O=C(C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000658903792 485199722 /nfs/dbraw/zinc/19/97/22/485199722.db2.gz PHPBGMYAKKBLCM-DLBZAZTESA-N 2 0 362.474 -0.483 20 0 FBADRP O=C(C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000658903793 485199833 /nfs/dbraw/zinc/19/98/33/485199833.db2.gz PHPBGMYAKKBLCM-IAGOWNOFSA-N 2 0 362.474 -0.483 20 0 FBADRP O=C(C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000658903794 485200094 /nfs/dbraw/zinc/20/00/94/485200094.db2.gz PHPBGMYAKKBLCM-IRXDYDNUSA-N 2 0 362.474 -0.483 20 0 FBADRP O=C(C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000658903795 485199556 /nfs/dbraw/zinc/19/95/56/485199556.db2.gz PHPBGMYAKKBLCM-SJORKVTESA-N 2 0 362.474 -0.483 20 0 FBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC([NH+]4CC[C@@H](O)C4)CC3)C[C@@H]21 ZINC000658904378 483599723 /nfs/dbraw/zinc/59/97/23/483599723.db2.gz SMZPVISEVVJLBZ-BMFZPTHFSA-N 2 0 350.463 -0.794 20 0 FBADRP C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CCC([NH+]4CC[C@@H](O)C4)CC3)C2)C1 ZINC000658904788 485200191 /nfs/dbraw/zinc/20/01/91/485200191.db2.gz VUPMOPKGDRUFFU-APWZRJJASA-N 2 0 364.490 -0.402 20 0 FBADRP C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CCC([NH+]4CC[C@H](O)C4)CC3)C2)C1 ZINC000658904789 485200062 /nfs/dbraw/zinc/20/00/62/485200062.db2.gz VUPMOPKGDRUFFU-LPHOPBHVSA-N 2 0 364.490 -0.402 20 0 FBADRP C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CCC([NH+]4CC[C@H](O)C4)CC3)C2)C1 ZINC000658904790 485199862 /nfs/dbraw/zinc/19/98/62/485199862.db2.gz VUPMOPKGDRUFFU-QFBILLFUSA-N 2 0 364.490 -0.402 20 0 FBADRP C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CCC([NH+]4CC[C@@H](O)C4)CC3)C2)C1 ZINC000658904791 485199675 /nfs/dbraw/zinc/19/96/75/485199675.db2.gz VUPMOPKGDRUFFU-VQIMIIECSA-N 2 0 364.490 -0.402 20 0 FBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)CCO1 ZINC000658926471 485200228 /nfs/dbraw/zinc/20/02/28/485200228.db2.gz COMRLDMOFGFXFT-ARFHVFGLSA-N 2 0 352.479 -0.282 20 0 FBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)CCO1 ZINC000658926472 485200219 /nfs/dbraw/zinc/20/02/19/485200219.db2.gz COMRLDMOFGFXFT-HRCADAONSA-N 2 0 352.479 -0.282 20 0 FBADRP CN1CCO[C@@H]2CCN(C(=O)C(=O)N3CCN4CCCC[C@H]4C3)C[C@@H]21 ZINC000659007010 485202152 /nfs/dbraw/zinc/20/21/52/485202152.db2.gz MBHIEXCASUYPMS-HRCADAONSA-N 2 0 350.463 -0.385 20 0 FBADRP CN1CCO[C@@H]2CCN(C(=O)C(=O)N3CCN4CCCC[C@@H]4C3)C[C@@H]21 ZINC000659007404 485202858 /nfs/dbraw/zinc/20/28/58/485202858.db2.gz MBHIEXCASUYPMS-OWCLPIDISA-N 2 0 350.463 -0.385 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCN3CCCC[C@@H]3C2)C[C@H]1N1CCOCC1 ZINC000659007500 485202522 /nfs/dbraw/zinc/20/25/22/485202522.db2.gz WMGUKSUALLAQQX-BRWVUGGUSA-N 2 0 364.490 -0.138 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCN3CCCC[C@H]3C2)C[C@@H]1N1CCOCC1 ZINC000659007501 485202477 /nfs/dbraw/zinc/20/24/77/485202477.db2.gz WMGUKSUALLAQQX-IKGGRYGDSA-N 2 0 364.490 -0.138 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCN3CCCC[C@H]3C2)C[C@H]1N1CCOCC1 ZINC000659007502 485202419 /nfs/dbraw/zinc/20/24/19/485202419.db2.gz WMGUKSUALLAQQX-IXDOHACOSA-N 2 0 364.490 -0.138 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCN3CCCC[C@@H]3C2)C[C@@H]1N1CCOCC1 ZINC000659007503 485202207 /nfs/dbraw/zinc/20/22/07/485202207.db2.gz WMGUKSUALLAQQX-ZACQAIPSSA-N 2 0 364.490 -0.138 20 0 FBADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2CCN(CCO)C(C)(C)C2)CC1 ZINC000659023975 485201985 /nfs/dbraw/zinc/20/19/85/485201985.db2.gz PGMAVLXYHGAROJ-UHFFFAOYSA-N 2 0 354.495 -0.156 20 0 FBADRP CC[N@H+](CCO)CCNC(=O)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659074345 485206540 /nfs/dbraw/zinc/20/65/40/485206540.db2.gz QGAROWKWXIAAPE-INIZCTEOSA-N 2 0 364.446 -0.284 20 0 FBADRP CC[N@H+](CCO)CCNC(=O)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659074347 485206255 /nfs/dbraw/zinc/20/62/55/485206255.db2.gz QGAROWKWXIAAPE-MRXNPFEDSA-N 2 0 364.446 -0.284 20 0 FBADRP C[NH+](C)CCOCCNC(=O)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659075156 485207354 /nfs/dbraw/zinc/20/73/54/485207354.db2.gz VMNRFJPHODDYOH-INIZCTEOSA-N 2 0 364.446 -0.020 20 0 FBADRP C[NH+](C)CCOCCNC(=O)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659075158 485207497 /nfs/dbraw/zinc/20/74/97/485207497.db2.gz VMNRFJPHODDYOH-MRXNPFEDSA-N 2 0 364.446 -0.020 20 0 FBADRP COCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659079616 485207566 /nfs/dbraw/zinc/20/75/66/485207566.db2.gz NQPJQZNFRDPCIO-INIZCTEOSA-N 2 0 364.446 -0.020 20 0 FBADRP COCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659079617 485207045 /nfs/dbraw/zinc/20/70/45/485207045.db2.gz NQPJQZNFRDPCIO-MRXNPFEDSA-N 2 0 364.446 -0.020 20 0 FBADRP C[NH+](C)C[C@](C)(O)CNC(=O)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659079676 485207179 /nfs/dbraw/zinc/20/71/79/485207179.db2.gz WUTQYSILYKQADW-CRAIPNDOSA-N 2 0 364.446 -0.285 20 0 FBADRP C[NH+](C)C[C@](C)(O)CNC(=O)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659079678 485207318 /nfs/dbraw/zinc/20/73/18/485207318.db2.gz WUTQYSILYKQADW-MAUKXSAKSA-N 2 0 364.446 -0.285 20 0 FBADRP C[NH+](C)C[C@@](C)(O)CNC(=O)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659079680 485207610 /nfs/dbraw/zinc/20/76/10/485207610.db2.gz WUTQYSILYKQADW-QAPCUYQASA-N 2 0 364.446 -0.285 20 0 FBADRP C[NH+](C)C[C@@](C)(O)CNC(=O)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659079681 485207009 /nfs/dbraw/zinc/20/70/09/485207009.db2.gz WUTQYSILYKQADW-YJBOKZPZSA-N 2 0 364.446 -0.285 20 0 FBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000659080279 484064921 /nfs/dbraw/zinc/06/49/21/484064921.db2.gz DZXZOMACQAZHSM-KRWDZBQOSA-N 2 0 365.522 -0.221 20 0 FBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000659080280 484065953 /nfs/dbraw/zinc/06/59/53/484065953.db2.gz DZXZOMACQAZHSM-QGZVFWFLSA-N 2 0 365.522 -0.221 20 0 FBADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N(CC[NH+](C)C)CC(=O)N(C)C)c1 ZINC000659098803 485208925 /nfs/dbraw/zinc/20/89/25/485208925.db2.gz HDEFVKDVKDYHIU-UHFFFAOYSA-N 2 0 363.462 -0.129 20 0 FBADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000659099063 485209240 /nfs/dbraw/zinc/20/92/40/485209240.db2.gz PJPHGSMHYBSNKB-UHFFFAOYSA-N 2 0 363.462 -0.177 20 0 FBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000659099114 485209459 /nfs/dbraw/zinc/20/94/59/485209459.db2.gz RDGRCILXSSIMCL-UHFFFAOYSA-N 2 0 361.446 -0.293 20 0 FBADRP C[NH2+]Cc1cccc(NC(=O)C(=O)N(CC[NH+](C)C)CC(=O)N(C)C)c1 ZINC000659099214 485209312 /nfs/dbraw/zinc/20/93/12/485209312.db2.gz VLSNLXIHRGKNQP-UHFFFAOYSA-N 2 0 363.462 -0.177 20 0 FBADRP C[NH2+]Cc1ccc(NC(=O)C(=O)N(CC[NH+](C)C)CC(=O)N(C)C)cc1 ZINC000659099278 485209359 /nfs/dbraw/zinc/20/93/59/485209359.db2.gz XVFDXTOFWGZEHW-UHFFFAOYSA-N 2 0 363.462 -0.177 20 0 FBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)C1 ZINC000659102573 485209185 /nfs/dbraw/zinc/20/91/85/485209185.db2.gz FJQLJLCCZCSLOJ-CYBMUJFWSA-N 2 0 361.450 -0.575 20 0 FBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)C1 ZINC000659102574 485208844 /nfs/dbraw/zinc/20/88/44/485208844.db2.gz FJQLJLCCZCSLOJ-ZDUSSCGKSA-N 2 0 361.450 -0.575 20 0 FBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000659112371 485211238 /nfs/dbraw/zinc/21/12/38/485211238.db2.gz PCRKMUWLPNUYFB-LLVKDONJSA-N 2 0 363.418 -0.181 20 0 FBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000659112372 485211245 /nfs/dbraw/zinc/21/12/45/485211245.db2.gz PCRKMUWLPNUYFB-NSHDSACASA-N 2 0 363.418 -0.181 20 0 FBADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000659247869 485213820 /nfs/dbraw/zinc/21/38/20/485213820.db2.gz BENYTLZEOAUEMX-DLBZAZTESA-N 2 0 365.522 -0.223 20 0 FBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000659247870 485213418 /nfs/dbraw/zinc/21/34/18/485213418.db2.gz BENYTLZEOAUEMX-IAGOWNOFSA-N 2 0 365.522 -0.223 20 0 FBADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000659247871 485213716 /nfs/dbraw/zinc/21/37/16/485213716.db2.gz BENYTLZEOAUEMX-IRXDYDNUSA-N 2 0 365.522 -0.223 20 0 FBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000659247872 485213151 /nfs/dbraw/zinc/21/31/51/485213151.db2.gz BENYTLZEOAUEMX-SJORKVTESA-N 2 0 365.522 -0.223 20 0 FBADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)c2cn(CC[NH3+])nn2)c1 ZINC000659255546 485213688 /nfs/dbraw/zinc/21/36/88/485213688.db2.gz CSCHUHNEBAZFKO-UHFFFAOYSA-N 2 0 359.434 -0.542 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[C@@]2(CCOC2)O1 ZINC000659318447 485214665 /nfs/dbraw/zinc/21/46/65/485214665.db2.gz DNSZJRTUIMZCRH-CRAIPNDOSA-N 2 0 370.494 -0.655 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[C@@]2(CCOC2)O1 ZINC000659318449 484577326 /nfs/dbraw/zinc/57/73/26/484577326.db2.gz DNSZJRTUIMZCRH-MAUKXSAKSA-N 2 0 370.494 -0.655 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[C@]2(CCOC2)O1 ZINC000659318464 484578204 /nfs/dbraw/zinc/57/82/04/484578204.db2.gz DNSZJRTUIMZCRH-QAPCUYQASA-N 2 0 370.494 -0.655 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[C@]2(CCOC2)O1 ZINC000659318465 484578223 /nfs/dbraw/zinc/57/82/23/484578223.db2.gz DNSZJRTUIMZCRH-YJBOKZPZSA-N 2 0 370.494 -0.655 20 0 FBADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000659318476 484578079 /nfs/dbraw/zinc/57/80/79/484578079.db2.gz FCBXKEZOORJYRM-INIZCTEOSA-N 3 0 355.527 -0.073 20 0 FBADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000659318477 484577697 /nfs/dbraw/zinc/57/76/97/484577697.db2.gz FCBXKEZOORJYRM-MRXNPFEDSA-N 3 0 355.527 -0.073 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H](CC(N)=O)C1 ZINC000659318516 485214685 /nfs/dbraw/zinc/21/46/85/485214685.db2.gz JLAXGYDELVOKNH-AWEZNQCLSA-N 2 0 355.483 -0.948 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H](CC(N)=O)C1 ZINC000659318519 485214563 /nfs/dbraw/zinc/21/45/63/485214563.db2.gz JLAXGYDELVOKNH-CQSZACIVSA-N 2 0 355.483 -0.948 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000659318563 485215095 /nfs/dbraw/zinc/21/50/95/485215095.db2.gz MSJOSAQSSIQYEG-CVEARBPZSA-N 2 0 370.494 -0.655 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000659318564 485215236 /nfs/dbraw/zinc/21/52/36/485215236.db2.gz MSJOSAQSSIQYEG-HOTGVXAUSA-N 2 0 370.494 -0.655 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000659318566 485215023 /nfs/dbraw/zinc/21/50/23/485215023.db2.gz MSJOSAQSSIQYEG-HZPDHXFCSA-N 2 0 370.494 -0.655 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000659318569 485214978 /nfs/dbraw/zinc/21/49/78/485214978.db2.gz MSJOSAQSSIQYEG-JKSUJKDBSA-N 2 0 370.494 -0.655 20 0 FBADRP Cc1cn2c(n1)CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC2 ZINC000659318580 484579231 /nfs/dbraw/zinc/57/92/31/484579231.db2.gz OLJPVMDYFDMZBI-UHFFFAOYSA-N 2 0 350.467 -0.514 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H](n2cccn2)C1 ZINC000659318600 484578592 /nfs/dbraw/zinc/57/85/92/484578592.db2.gz PISIJYUQYFPUNM-HNNXBMFYSA-N 2 0 350.467 -0.392 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](n2cccn2)C1 ZINC000659318602 484578867 /nfs/dbraw/zinc/57/88/67/484578867.db2.gz PISIJYUQYFPUNM-OAHLLOKOSA-N 2 0 350.467 -0.392 20 0 FBADRP CC(C)N1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1=O ZINC000659318606 484578716 /nfs/dbraw/zinc/57/87/16/484578716.db2.gz RCCJLJOUPSYGQR-UHFFFAOYSA-N 2 0 355.483 -0.983 20 0 FBADRP [NH3+]CCn1cc(C(=O)Nc2ccccc2OCCN2CC[NH2+]CC2)nn1 ZINC000659321935 485214854 /nfs/dbraw/zinc/21/48/54/485214854.db2.gz BWDDMBOZGOQZPM-UHFFFAOYSA-N 2 0 359.434 -0.227 20 0 FBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000659359086 485215607 /nfs/dbraw/zinc/21/56/07/485215607.db2.gz WDGMCVYMCDUKDZ-CYBMUJFWSA-N 2 0 351.455 -0.878 20 0 FBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000659359087 485216219 /nfs/dbraw/zinc/21/62/19/485216219.db2.gz WDGMCVYMCDUKDZ-ZDUSSCGKSA-N 2 0 351.455 -0.878 20 0 FBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000659359727 485216059 /nfs/dbraw/zinc/21/60/59/485216059.db2.gz WCFHRRZQMUQTMQ-CYBMUJFWSA-N 2 0 351.455 -0.705 20 0 FBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000659359728 485216505 /nfs/dbraw/zinc/21/65/05/485216505.db2.gz WCFHRRZQMUQTMQ-ZDUSSCGKSA-N 2 0 351.455 -0.705 20 0 FBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000659378712 485216236 /nfs/dbraw/zinc/21/62/36/485216236.db2.gz FBHLWOXGLCWINA-UHFFFAOYSA-N 2 0 363.462 -0.233 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659430201 485217702 /nfs/dbraw/zinc/21/77/02/485217702.db2.gz DHRPCSABRWXFCW-CYBMUJFWSA-N 2 0 352.439 -0.203 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659430202 485217663 /nfs/dbraw/zinc/21/76/63/485217663.db2.gz DHRPCSABRWXFCW-ZDUSSCGKSA-N 2 0 352.439 -0.203 20 0 FBADRP CC(C)[C@H](CNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)[NH+]1CCN(C)CC1 ZINC000659431656 485218152 /nfs/dbraw/zinc/21/81/52/485218152.db2.gz PEVKNCYVSOPNPK-AWEZNQCLSA-N 2 0 365.482 -0.288 20 0 FBADRP CC(C)[C@@H](CNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)[NH+]1CCN(C)CC1 ZINC000659431657 485217955 /nfs/dbraw/zinc/21/79/55/485217955.db2.gz PEVKNCYVSOPNPK-CQSZACIVSA-N 2 0 365.482 -0.288 20 0 FBADRP C[C@H]1C[NH+](CCCNC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C[C@H](C)O1 ZINC000659431771 485218080 /nfs/dbraw/zinc/21/80/80/485218080.db2.gz YMQXKHNCRZEJMD-RYUDHWBXSA-N 2 0 352.439 -0.061 20 0 FBADRP C[C@@H]1C[N@@H+](CCCNC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C[C@H](C)O1 ZINC000659431772 485218230 /nfs/dbraw/zinc/21/82/30/485218230.db2.gz YMQXKHNCRZEJMD-TXEJJXNPSA-N 2 0 352.439 -0.061 20 0 FBADRP C[C@@H]1C[NH+](CCCNC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C[C@@H](C)O1 ZINC000659431773 485218355 /nfs/dbraw/zinc/21/83/55/485218355.db2.gz YMQXKHNCRZEJMD-VXGBXAGGSA-N 2 0 352.439 -0.061 20 0 FBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)NCC[N@H+](C)CCOC)CC1 ZINC000659448323 485219157 /nfs/dbraw/zinc/21/91/57/485219157.db2.gz BNWYHCXVJMXFOV-UHFFFAOYSA-N 2 0 357.499 -0.146 20 0 FBADRP C[C@@H]1C[N@H+](CCCNC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CCCO1 ZINC000659486873 485220744 /nfs/dbraw/zinc/22/07/44/485220744.db2.gz KYXQHACYDUXHMP-GFCCVEGCSA-N 2 0 352.439 -0.059 20 0 FBADRP C[C@H]1C[N@H+](CCCNC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CCCO1 ZINC000659486874 485220727 /nfs/dbraw/zinc/22/07/27/485220727.db2.gz KYXQHACYDUXHMP-LBPRGKRZSA-N 2 0 352.439 -0.059 20 0 FBADRP O=C(NCCN1CC[NH2+]CC1)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000659507381 485226103 /nfs/dbraw/zinc/22/61/03/485226103.db2.gz JRGKAVIJWXSQIY-GOSISDBHSA-N 2 0 361.490 -0.042 20 0 FBADRP O=C(NCCN1CC[NH2+]CC1)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000659507383 485225022 /nfs/dbraw/zinc/22/50/22/485225022.db2.gz JRGKAVIJWXSQIY-SFHVURJKSA-N 2 0 361.490 -0.042 20 0 FBADRP O=C(NCC(=O)N1CC[NH2+]CC1)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000659509248 485224993 /nfs/dbraw/zinc/22/49/93/485224993.db2.gz YKCNTXKMMVHAJR-UHFFFAOYSA-N 2 0 367.494 -0.392 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)CCO1 ZINC000659521399 485226040 /nfs/dbraw/zinc/22/60/40/485226040.db2.gz JLVJXIXBUQNGCV-CRAIPNDOSA-N 2 0 352.479 -0.280 20 0 FBADRP C[NH+](C)C[C@H]1CN(C(=O)C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)CCO1 ZINC000659521400 485225343 /nfs/dbraw/zinc/22/53/43/485225343.db2.gz JLVJXIXBUQNGCV-MAUKXSAKSA-N 2 0 352.479 -0.280 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)CCO1 ZINC000659521401 485225095 /nfs/dbraw/zinc/22/50/95/485225095.db2.gz JLVJXIXBUQNGCV-QAPCUYQASA-N 2 0 352.479 -0.280 20 0 FBADRP C[NH+](C)C[C@H]1CN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)CCO1 ZINC000659521402 485225720 /nfs/dbraw/zinc/22/57/20/485225720.db2.gz JLVJXIXBUQNGCV-YJBOKZPZSA-N 2 0 352.479 -0.280 20 0 FBADRP O=C(C(=O)N1CC[N@@H+]2CCC[C@H]2C1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000659525706 485225468 /nfs/dbraw/zinc/22/54/68/485225468.db2.gz YXIYURQGWIIMES-KRWDZBQOSA-N 2 0 364.490 -0.136 20 0 FBADRP O=C(C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000659525708 485225837 /nfs/dbraw/zinc/22/58/37/485225837.db2.gz YXIYURQGWIIMES-QGZVFWFLSA-N 2 0 364.490 -0.136 20 0 FBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCN([C@H]4CCC[NH+](C)C4)CC3)C[C@@H]21 ZINC000659532184 485225865 /nfs/dbraw/zinc/22/58/65/485225865.db2.gz VXTPFWHCIPOGTM-IKGGRYGDSA-N 2 0 363.506 -0.613 20 0 FBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCN([C@@H]4CCC[NH+](C)C4)CC3)C[C@@H]21 ZINC000659532188 485225363 /nfs/dbraw/zinc/22/53/63/485225363.db2.gz VXTPFWHCIPOGTM-ZACQAIPSSA-N 2 0 363.506 -0.613 20 0 FBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000659532190 485225159 /nfs/dbraw/zinc/22/51/59/485225159.db2.gz WJZFKQJLHIMKHO-KRWDZBQOSA-N 2 0 365.522 -0.223 20 0 FBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000659532192 485225737 /nfs/dbraw/zinc/22/57/37/485225737.db2.gz WJZFKQJLHIMKHO-QGZVFWFLSA-N 2 0 365.522 -0.223 20 0 FBADRP COCC1(CNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)CC[NH2+]CC1 ZINC000659541343 483882456 /nfs/dbraw/zinc/88/24/56/483882456.db2.gz PYZDHQIHQHRRTJ-UHFFFAOYSA-N 2 0 357.499 -0.336 20 0 FBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000659608041 485228095 /nfs/dbraw/zinc/22/80/95/485228095.db2.gz JPULERLVFCDBLI-GDBMZVCRSA-N 2 0 367.494 -0.264 20 0 FBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000659608042 485228317 /nfs/dbraw/zinc/22/83/17/485228317.db2.gz JPULERLVFCDBLI-GOEBONIOSA-N 2 0 367.494 -0.264 20 0 FBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000659608043 485228071 /nfs/dbraw/zinc/22/80/71/485228071.db2.gz JPULERLVFCDBLI-HOCLYGCPSA-N 2 0 367.494 -0.264 20 0 FBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000659608044 485228409 /nfs/dbraw/zinc/22/84/09/485228409.db2.gz JPULERLVFCDBLI-ZBFHGGJFSA-N 2 0 367.494 -0.264 20 0 FBADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000659609129 485228289 /nfs/dbraw/zinc/22/82/89/485228289.db2.gz SUFNSUOZPRYFGB-DLBZAZTESA-N 2 0 351.495 -0.071 20 0 FBADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000659609130 485227966 /nfs/dbraw/zinc/22/79/66/485227966.db2.gz SUFNSUOZPRYFGB-IAGOWNOFSA-N 2 0 351.495 -0.071 20 0 FBADRP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000659609131 485228398 /nfs/dbraw/zinc/22/83/98/485228398.db2.gz SUFNSUOZPRYFGB-IRXDYDNUSA-N 2 0 351.495 -0.071 20 0 FBADRP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000659609132 485228451 /nfs/dbraw/zinc/22/84/51/485228451.db2.gz SUFNSUOZPRYFGB-SJORKVTESA-N 2 0 351.495 -0.071 20 0 FBADRP CCO[C@@H]1CN(C(=O)NC2CCN(C(=O)CCC[NH2+]C)CC2)C[C@H]1C[NH3+] ZINC000659627805 485229575 /nfs/dbraw/zinc/22/95/75/485229575.db2.gz YPJXDSHLZMLALE-GDBMZVCRSA-N 2 0 369.510 -0.018 20 0 FBADRP CC[NH+]1CCN(CC(C)(C)NC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000659629379 485229223 /nfs/dbraw/zinc/22/92/23/485229223.db2.gz FYDLXJMYYOYKHJ-UHFFFAOYSA-N 2 0 365.482 -0.144 20 0 FBADRP COCC(C)(C)[NH+]1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000659629434 485229861 /nfs/dbraw/zinc/22/98/61/485229861.db2.gz SLNQRBVUKNSNHY-UHFFFAOYSA-N 2 0 352.439 -0.107 20 0 FBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)n1 ZINC000659629568 485229269 /nfs/dbraw/zinc/22/92/69/485229269.db2.gz HALRTOCIMJDHKI-CYBMUJFWSA-N 2 0 364.450 -0.105 20 0 FBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1 ZINC000659629569 485229136 /nfs/dbraw/zinc/22/91/36/485229136.db2.gz HALRTOCIMJDHKI-ZDUSSCGKSA-N 2 0 364.450 -0.105 20 0 FBADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659629852 485228798 /nfs/dbraw/zinc/22/87/98/485228798.db2.gz AOJREVDLCROCCK-LLVKDONJSA-N 2 0 352.439 -0.373 20 0 FBADRP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659629853 485229882 /nfs/dbraw/zinc/22/98/82/485229882.db2.gz AOJREVDLCROCCK-NSHDSACASA-N 2 0 352.439 -0.373 20 0 FBADRP C[C@@H]1CN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC[N@@H+]1CC(C)(C)O ZINC000659629897 485229629 /nfs/dbraw/zinc/22/96/29/485229629.db2.gz CCHMNCHRXIKPEJ-LLVKDONJSA-N 2 0 352.439 -0.373 20 0 FBADRP C[C@H]1CN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC[N@@H+]1CC(C)(C)O ZINC000659629898 485229159 /nfs/dbraw/zinc/22/91/59/485229159.db2.gz CCHMNCHRXIKPEJ-NSHDSACASA-N 2 0 352.439 -0.373 20 0 FBADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659630947 485229430 /nfs/dbraw/zinc/22/94/30/485229430.db2.gz XHKIGAYKYRWMDL-UHFFFAOYSA-N 2 0 353.471 -0.334 20 0 FBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659631880 485229570 /nfs/dbraw/zinc/22/95/70/485229570.db2.gz JIYGCJSYNDRHHN-CYBMUJFWSA-N 2 0 352.439 -0.107 20 0 FBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659631881 485229148 /nfs/dbraw/zinc/22/91/48/485229148.db2.gz JIYGCJSYNDRHHN-ZDUSSCGKSA-N 2 0 352.439 -0.107 20 0 FBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N2CC[NH+](CC3CCOCC3)CC2)n1 ZINC000659631964 485228865 /nfs/dbraw/zinc/22/88/65/485228865.db2.gz MDQNVLUSWZSFPJ-UHFFFAOYSA-N 2 0 364.450 -0.105 20 0 FBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)NCc3nc(C[NH3+])cc(=O)[nH]3)CC2)C1 ZINC000659632149 485231028 /nfs/dbraw/zinc/23/10/28/485231028.db2.gz QKUFVQWNPDFGJI-AWEZNQCLSA-N 2 0 363.466 -0.438 20 0 FBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)NCc3nc(C[NH3+])cc(=O)[nH]3)CC2)C1 ZINC000659632150 485230599 /nfs/dbraw/zinc/23/05/99/485230599.db2.gz QKUFVQWNPDFGJI-CQSZACIVSA-N 2 0 363.466 -0.438 20 0 FBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N2CCC(C[NH+]3CCOCC3)CC2)n1 ZINC000659632921 485230813 /nfs/dbraw/zinc/23/08/13/485230813.db2.gz LBIIQWPSZSGIFT-UHFFFAOYSA-N 2 0 364.450 -0.105 20 0 FBADRP C[NH+](C)CC1(CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CCCC1 ZINC000659672000 485239046 /nfs/dbraw/zinc/23/90/46/485239046.db2.gz LUOVOLQIYAWEBZ-UHFFFAOYSA-N 2 0 364.450 -0.505 20 0 FBADRP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000659672112 485239211 /nfs/dbraw/zinc/23/92/11/485239211.db2.gz NIDRGCGYOAFWIW-OAHLLOKOSA-N 2 0 369.510 -0.465 20 0 FBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659672354 485239155 /nfs/dbraw/zinc/23/91/55/485239155.db2.gz SOAWJDMTLROCQP-UHFFFAOYSA-N 2 0 367.494 -0.567 20 0 FBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000659674667 485239076 /nfs/dbraw/zinc/23/90/76/485239076.db2.gz NTQITBJGZHHGCP-INIZCTEOSA-N 2 0 361.490 -0.356 20 0 FBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000659674669 485239096 /nfs/dbraw/zinc/23/90/96/485239096.db2.gz NTQITBJGZHHGCP-MRXNPFEDSA-N 2 0 361.490 -0.356 20 0 FBADRP CC(C)(CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)[NH+]1CCCCC1 ZINC000659674925 485239314 /nfs/dbraw/zinc/23/93/14/485239314.db2.gz XAOPEAXMLIDJNK-UHFFFAOYSA-N 2 0 364.450 -0.362 20 0 FBADRP C[NH+](C)C1(CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CCCC1 ZINC000659675070 485238878 /nfs/dbraw/zinc/23/88/78/485238878.db2.gz YHYZKJIWNQXLRK-UHFFFAOYSA-N 2 0 350.423 -0.752 20 0 FBADRP [NH3+]CC12CC(C1)CN2C(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000659677093 485239792 /nfs/dbraw/zinc/23/97/92/485239792.db2.gz NCVOBBQUVGSQMG-GBXVCHKXSA-N 2 0 372.469 -0.181 20 0 FBADRP [NH3+]CC12CC(C1)CN2C(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000659677094 485240078 /nfs/dbraw/zinc/24/00/78/485240078.db2.gz NCVOBBQUVGSQMG-WSGJVKOYSA-N 2 0 372.469 -0.181 20 0 FBADRP C[N@H+](CCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)Cc1ccccc1 ZINC000659677558 485240056 /nfs/dbraw/zinc/24/00/56/485240056.db2.gz DXVIJNTWCGWBDI-UHFFFAOYSA-N 2 0 372.429 -0.495 20 0 FBADRP O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659677695 485239990 /nfs/dbraw/zinc/23/99/90/485239990.db2.gz RUGWLVGZGRUYRK-GBXVCHKXSA-N 2 0 372.469 -0.262 20 0 FBADRP O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659677696 485240459 /nfs/dbraw/zinc/24/04/59/485240459.db2.gz RUGWLVGZGRUYRK-WSGJVKOYSA-N 2 0 372.469 -0.262 20 0 FBADRP O=C(NCC12CC(C1)C[NH2+]2)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000659679177 485239923 /nfs/dbraw/zinc/23/99/23/485239923.db2.gz DNMHDYOUKZVZOD-HBSJQHRPSA-N 2 0 350.463 -0.651 20 0 FBADRP O=C(NCC12CC(C1)C[NH2+]2)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000659679178 485240148 /nfs/dbraw/zinc/24/01/48/485240148.db2.gz DNMHDYOUKZVZOD-PGMGQSNYSA-N 2 0 350.463 -0.651 20 0 FBADRP O=C(NCC12CC(C1)C[NH2+]2)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000659679179 485240413 /nfs/dbraw/zinc/24/04/13/485240413.db2.gz DNMHDYOUKZVZOD-TYTGLVAOSA-N 2 0 350.463 -0.651 20 0 FBADRP O=C(NCC12CC(C1)C[NH2+]2)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000659679180 485240128 /nfs/dbraw/zinc/24/01/28/485240128.db2.gz DNMHDYOUKZVZOD-VTPHYOBMSA-N 2 0 350.463 -0.651 20 0 FBADRP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000659679181 485240360 /nfs/dbraw/zinc/24/03/60/485240360.db2.gz DNQFXEFTMSXKHQ-BZUAXINKSA-N 2 0 354.495 -0.030 20 0 FBADRP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000659679182 485240017 /nfs/dbraw/zinc/24/00/17/485240017.db2.gz DNQFXEFTMSXKHQ-OAGGEKHMSA-N 2 0 354.495 -0.030 20 0 FBADRP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000659679183 485239977 /nfs/dbraw/zinc/23/99/77/485239977.db2.gz DNQFXEFTMSXKHQ-OWCLPIDISA-N 2 0 354.495 -0.030 20 0 FBADRP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000659679184 485239786 /nfs/dbraw/zinc/23/97/86/485239786.db2.gz DNQFXEFTMSXKHQ-PMPSAXMXSA-N 2 0 354.495 -0.030 20 0 FBADRP [NH3+][C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC[C@H]1F ZINC000659679496 485240477 /nfs/dbraw/zinc/24/04/77/485240477.db2.gz JRIAFHRNVHJIOW-FPCVCCKLSA-N 2 0 370.469 -0.232 20 0 FBADRP [NH3+][C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC[C@H]1F ZINC000659679497 485240311 /nfs/dbraw/zinc/24/03/11/485240311.db2.gz JRIAFHRNVHJIOW-KLHDSHLOSA-N 2 0 370.469 -0.232 20 0 FBADRP [NH3+][C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC[C@H]1F ZINC000659679499 485239867 /nfs/dbraw/zinc/23/98/67/485239867.db2.gz JRIAFHRNVHJIOW-LVQVYYBASA-N 2 0 370.469 -0.232 20 0 FBADRP [NH3+][C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC[C@H]1F ZINC000659679500 485239930 /nfs/dbraw/zinc/23/99/30/485239930.db2.gz JRIAFHRNVHJIOW-WCVJEAGWSA-N 2 0 370.469 -0.232 20 0 FBADRP [NH3+]C1(CNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CCCC1 ZINC000659679535 485239948 /nfs/dbraw/zinc/23/99/48/485239948.db2.gz KXESBLMOERDNSU-CABCVRRESA-N 2 0 352.479 -0.132 20 0 FBADRP [NH3+]C1(CNC(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CCCC1 ZINC000659679536 485239842 /nfs/dbraw/zinc/23/98/42/485239842.db2.gz KXESBLMOERDNSU-GJZGRUSLSA-N 2 0 352.479 -0.132 20 0 FBADRP [NH3+]C1(CNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CCCC1 ZINC000659679538 485240135 /nfs/dbraw/zinc/24/01/35/485240135.db2.gz KXESBLMOERDNSU-HUUCEWRRSA-N 2 0 352.479 -0.132 20 0 FBADRP [NH3+]C1(CNC(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CCCC1 ZINC000659679539 485240380 /nfs/dbraw/zinc/24/03/80/485240380.db2.gz KXESBLMOERDNSU-LSDHHAIUSA-N 2 0 352.479 -0.132 20 0 FBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000659679839 485240215 /nfs/dbraw/zinc/24/02/15/485240215.db2.gz POZQJTBXYPADRF-UHFFFAOYSA-N 2 0 351.451 -0.166 20 0 FBADRP O=C(NCC12CC(C1)C[NH2+]2)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000659679902 485239956 /nfs/dbraw/zinc/23/99/56/485239956.db2.gz QMLSPOJMDMHCJB-BYGOXVSRSA-N 2 0 364.490 -0.261 20 0 FBADRP O=C(NCC12CC(C1)C[NH2+]2)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000659679904 485240455 /nfs/dbraw/zinc/24/04/55/485240455.db2.gz QMLSPOJMDMHCJB-QHZMEWJKSA-N 2 0 364.490 -0.261 20 0 FBADRP O=C(NCC12CC(C1)C[NH2+]2)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000659679907 485239855 /nfs/dbraw/zinc/23/98/55/485239855.db2.gz QMLSPOJMDMHCJB-VTLRXDCVSA-N 2 0 364.490 -0.261 20 0 FBADRP O=C(NCC12CC(C1)C[NH2+]2)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000659679910 485239999 /nfs/dbraw/zinc/23/99/99/485239999.db2.gz QMLSPOJMDMHCJB-ZAKOAHRUSA-N 2 0 364.490 -0.261 20 0 FBADRP C[NH+](C)CCOc1cc(CNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)ccn1 ZINC000659679912 485240265 /nfs/dbraw/zinc/24/02/65/485240265.db2.gz QMVBVSAOZNTVLN-UHFFFAOYSA-N 2 0 361.446 -0.494 20 0 FBADRP [NH3+]CC12CC(C1)CN2C(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000659679965 485240090 /nfs/dbraw/zinc/24/00/90/485240090.db2.gz RRSQTHLKQVTOMC-BYGOXVSRSA-N 2 0 364.490 -0.180 20 0 FBADRP [NH3+]CC12CC(C1)CN2C(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000659679966 485240397 /nfs/dbraw/zinc/24/03/97/485240397.db2.gz RRSQTHLKQVTOMC-QHZMEWJKSA-N 2 0 364.490 -0.180 20 0 FBADRP [NH3+]CC12CC(C1)CN2C(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000659679967 485240417 /nfs/dbraw/zinc/24/04/17/485240417.db2.gz RRSQTHLKQVTOMC-VTLRXDCVSA-N 2 0 364.490 -0.180 20 0 FBADRP [NH3+]CC12CC(C1)CN2C(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000659679968 485239901 /nfs/dbraw/zinc/23/99/01/485239901.db2.gz RRSQTHLKQVTOMC-ZAKOAHRUSA-N 2 0 364.490 -0.180 20 0 FBADRP [NH3+]CC12CC(C1)CN2C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000659680132 485240167 /nfs/dbraw/zinc/24/01/67/485240167.db2.gz UVUMQHFCEYPXBX-HBSJQHRPSA-N 2 0 350.463 -0.570 20 0 FBADRP [NH3+]CC12CC(C1)CN2C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000659680135 485240430 /nfs/dbraw/zinc/24/04/30/485240430.db2.gz UVUMQHFCEYPXBX-PGMGQSNYSA-N 2 0 350.463 -0.570 20 0 FBADRP [NH3+]CC12CC(C1)CN2C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000659680138 485240290 /nfs/dbraw/zinc/24/02/90/485240290.db2.gz UVUMQHFCEYPXBX-TYTGLVAOSA-N 2 0 350.463 -0.570 20 0 FBADRP [NH3+]CC12CC(C1)CN2C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000659680145 485239906 /nfs/dbraw/zinc/23/99/06/485239906.db2.gz UVUMQHFCEYPXBX-VTPHYOBMSA-N 2 0 350.463 -0.570 20 0 FBADRP C[NH+](C)CCOc1cc(CNC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)ccn1 ZINC000659680365 485240443 /nfs/dbraw/zinc/24/04/43/485240443.db2.gz WQYADCSCBKOJDI-ZIAGYGMSSA-N 2 0 367.425 -0.464 20 0 FBADRP C[NH+](C)CCOc1cc(CNC(=O)C(=O)N2CC3CC2(C[NH3+])C3)ccn1 ZINC000659680497 485240200 /nfs/dbraw/zinc/24/02/00/485240200.db2.gz YIRXVMWBZBRZEE-UHFFFAOYSA-N 2 0 361.446 -0.412 20 0 FBADRP [NH3+][C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC[C@H]1F ZINC000659680559 485239672 /nfs/dbraw/zinc/23/96/72/485239672.db2.gz YWHNWBPXKMJSML-APIJFGDWSA-N 2 0 356.442 -0.622 20 0 FBADRP [NH3+][C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC[C@H]1F ZINC000659680563 485239847 /nfs/dbraw/zinc/23/98/47/485239847.db2.gz YWHNWBPXKMJSML-KBUPBQIOSA-N 2 0 356.442 -0.622 20 0 FBADRP [NH3+][C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC[C@H]1F ZINC000659680565 485240008 /nfs/dbraw/zinc/24/00/08/485240008.db2.gz YWHNWBPXKMJSML-KBXIAJHMSA-N 2 0 356.442 -0.622 20 0 FBADRP [NH3+][C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC[C@H]1F ZINC000659680567 485239971 /nfs/dbraw/zinc/23/99/71/485239971.db2.gz YWHNWBPXKMJSML-TUVASFSCSA-N 2 0 356.442 -0.622 20 0 FBADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659681638 485241613 /nfs/dbraw/zinc/24/16/13/485241613.db2.gz YGWAICVAGWESQZ-NEPJUHHUSA-N 2 0 364.450 -0.506 20 0 FBADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659681639 485240897 /nfs/dbraw/zinc/24/08/97/485240897.db2.gz YGWAICVAGWESQZ-NWDGAFQWSA-N 2 0 364.450 -0.506 20 0 FBADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659681640 485241837 /nfs/dbraw/zinc/24/18/37/485241837.db2.gz YGWAICVAGWESQZ-RYUDHWBXSA-N 2 0 364.450 -0.506 20 0 FBADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659681641 485241567 /nfs/dbraw/zinc/24/15/67/485241567.db2.gz YGWAICVAGWESQZ-VXGBXAGGSA-N 2 0 364.450 -0.506 20 0 FBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)NCCC[NH+]2CCCCC2)n1 ZINC000659681710 485241061 /nfs/dbraw/zinc/24/10/61/485241061.db2.gz MSGMRFSFSXYHAF-UHFFFAOYSA-N 2 0 350.423 -0.751 20 0 FBADRP CC1CC[NH+](CCCNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000659682193 485241529 /nfs/dbraw/zinc/24/15/29/485241529.db2.gz WGXDUCSGBLIYOX-UHFFFAOYSA-N 2 0 364.450 -0.505 20 0 FBADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NCC3([NH3+])CCCC3)C2)CC1 ZINC000659682225 485240852 /nfs/dbraw/zinc/24/08/52/485240852.db2.gz HUFOQORZZCCTTO-AWEZNQCLSA-N 2 0 351.495 -0.341 20 0 FBADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)NCC3([NH3+])CCCC3)C2)CC1 ZINC000659682226 485241191 /nfs/dbraw/zinc/24/11/91/485241191.db2.gz HUFOQORZZCCTTO-CQSZACIVSA-N 2 0 351.495 -0.341 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659682576 485240919 /nfs/dbraw/zinc/24/09/19/485240919.db2.gz KGGMWFMGSOCUHY-DLBZAZTESA-N 2 0 365.522 -0.413 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659682577 485241460 /nfs/dbraw/zinc/24/14/60/485241460.db2.gz KGGMWFMGSOCUHY-IAGOWNOFSA-N 2 0 365.522 -0.413 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659682578 485241436 /nfs/dbraw/zinc/24/14/36/485241436.db2.gz KGGMWFMGSOCUHY-IRXDYDNUSA-N 2 0 365.522 -0.413 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659682579 485241907 /nfs/dbraw/zinc/24/19/07/485241907.db2.gz KGGMWFMGSOCUHY-SJORKVTESA-N 2 0 365.522 -0.413 20 0 FBADRP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000659682825 485241358 /nfs/dbraw/zinc/24/13/58/485241358.db2.gz OMAXGQGDYFZXEF-GDBMZVCRSA-N 2 0 353.511 -0.239 20 0 FBADRP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000659682826 485240980 /nfs/dbraw/zinc/24/09/80/485240980.db2.gz OMAXGQGDYFZXEF-GOEBONIOSA-N 2 0 353.511 -0.239 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659682978 485240968 /nfs/dbraw/zinc/24/09/68/485240968.db2.gz QOYXGXJDBZKBQO-DLBZAZTESA-N 2 0 365.522 -0.413 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659682979 485241232 /nfs/dbraw/zinc/24/12/32/485241232.db2.gz QOYXGXJDBZKBQO-IAGOWNOFSA-N 2 0 365.522 -0.413 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659682980 485241040 /nfs/dbraw/zinc/24/10/40/485241040.db2.gz QOYXGXJDBZKBQO-IRXDYDNUSA-N 2 0 365.522 -0.413 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659682981 485240953 /nfs/dbraw/zinc/24/09/53/485240953.db2.gz QOYXGXJDBZKBQO-SJORKVTESA-N 2 0 365.522 -0.413 20 0 FBADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CC[C@@H](F)[C@H]([NH3+])C3)C2)CC1 ZINC000659683011 485241332 /nfs/dbraw/zinc/24/13/32/485241332.db2.gz RFJJYPZPNBCCKP-BPLDGKMQSA-N 2 0 355.458 -0.831 20 0 FBADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CC[C@@H](F)[C@H]([NH3+])C3)C2)CC1 ZINC000659683012 485240877 /nfs/dbraw/zinc/24/08/77/485240877.db2.gz RFJJYPZPNBCCKP-NWANDNLSSA-N 2 0 355.458 -0.831 20 0 FBADRP C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)[C@H](C[NH3+])C1 ZINC000659683034 485241159 /nfs/dbraw/zinc/24/11/59/485241159.db2.gz RRPHHRYTEGBEAC-INMHGKMJSA-N 2 0 365.522 -0.143 20 0 FBADRP C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)[C@H](C[NH3+])C1 ZINC000659683035 485241656 /nfs/dbraw/zinc/24/16/56/485241656.db2.gz RRPHHRYTEGBEAC-VYDXJSESSA-N 2 0 365.522 -0.143 20 0 FBADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000659683829 485242698 /nfs/dbraw/zinc/24/26/98/485242698.db2.gz CEKLTPGKHVJEAJ-HUUCEWRRSA-N 2 0 358.458 -0.110 20 0 FBADRP CC(C)[C@H](CNC(=O)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+])N1CC[NH+](C)CC1 ZINC000659683895 485243038 /nfs/dbraw/zinc/24/30/38/485243038.db2.gz BGQQYEMBXGCCOY-IKGGRYGDSA-N 2 0 367.538 -0.040 20 0 FBADRP CC(C)[C@@H](CNC(=O)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+])N1CC[NH+](C)CC1 ZINC000659683896 485242313 /nfs/dbraw/zinc/24/23/13/485242313.db2.gz BGQQYEMBXGCCOY-IXDOHACOSA-N 2 0 367.538 -0.040 20 0 FBADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659683991 485242485 /nfs/dbraw/zinc/24/24/85/485242485.db2.gz DQOBZGPIUAHVCU-UHFFFAOYSA-N 2 0 352.479 -0.140 20 0 FBADRP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)NCC34CC(C3)C[NH2+]4)cn2)CC1 ZINC000659684286 485242622 /nfs/dbraw/zinc/24/26/22/485242622.db2.gz FOQOFKKAJQBGCP-UHFFFAOYSA-N 2 0 372.473 -0.682 20 0 FBADRP CC(C)[C@H](CNC(=O)C(=O)N1CC2CC1(C[NH3+])C2)N1CC[NH+](C)CC1 ZINC000659684322 485242340 /nfs/dbraw/zinc/24/23/40/485242340.db2.gz GPRLVBMNJJZWBX-CSLYMUCUSA-N 2 0 351.495 -0.676 20 0 FBADRP CC(C)[C@@H](CNC(=O)C(=O)N1CC2CC1(C[NH3+])C2)N1CC[NH+](C)CC1 ZINC000659684323 485242769 /nfs/dbraw/zinc/24/27/69/485242769.db2.gz GPRLVBMNJJZWBX-SWKXRBFHSA-N 2 0 351.495 -0.676 20 0 FBADRP CC(C)[C@H](CNC(=O)C(=O)NCC12CC(C1)C[NH2+]2)N1CC[NH+](C)CC1 ZINC000659684392 485242596 /nfs/dbraw/zinc/24/25/96/485242596.db2.gz IEXHUYYITKRUJD-CSLYMUCUSA-N 2 0 351.495 -0.757 20 0 FBADRP CC(C)[C@@H](CNC(=O)C(=O)NCC12CC(C1)C[NH2+]2)N1CC[NH+](C)CC1 ZINC000659684393 485242409 /nfs/dbraw/zinc/24/24/09/485242409.db2.gz IEXHUYYITKRUJD-SWKXRBFHSA-N 2 0 351.495 -0.757 20 0 FBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000659684743 485243121 /nfs/dbraw/zinc/24/31/21/485243121.db2.gz KSYYQUUPGFTJMR-UHFFFAOYSA-N 2 0 362.478 -0.355 20 0 FBADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000659684777 485243176 /nfs/dbraw/zinc/24/31/76/485243176.db2.gz LAUNDNHJRPARFP-UHFFFAOYSA-N 2 0 352.479 -0.058 20 0 FBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000659684969 485242651 /nfs/dbraw/zinc/24/26/51/485242651.db2.gz NMGVEHOPYDDDPN-UHFFFAOYSA-N 2 0 369.510 -0.905 20 0 FBADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659685211 485242529 /nfs/dbraw/zinc/24/25/29/485242529.db2.gz PEZWERBTUYHTTQ-CYBMUJFWSA-N 2 0 364.450 -0.362 20 0 FBADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659685215 485242998 /nfs/dbraw/zinc/24/29/98/485242998.db2.gz PEZWERBTUYHTTQ-ZDUSSCGKSA-N 2 0 364.450 -0.362 20 0 FBADRP CC(C)[C@H](CNC(=O)C(=O)NCC1([NH3+])CCCC1)N1CC[NH+](C)CC1 ZINC000659685240 485242516 /nfs/dbraw/zinc/24/25/16/485242516.db2.gz OZKJNVIVIFCNMD-HNNXBMFYSA-N 2 0 353.511 -0.238 20 0 FBADRP CC(C)[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCCC1)N1CC[NH+](C)CC1 ZINC000659685241 485242553 /nfs/dbraw/zinc/24/25/53/485242553.db2.gz OZKJNVIVIFCNMD-OAHLLOKOSA-N 2 0 353.511 -0.238 20 0 FBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659685817 485242335 /nfs/dbraw/zinc/24/23/35/485242335.db2.gz POOHXHFGIARZFD-LLVKDONJSA-N 2 0 350.423 -0.752 20 0 FBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659685818 485243154 /nfs/dbraw/zinc/24/31/54/485243154.db2.gz POOHXHFGIARZFD-NSHDSACASA-N 2 0 350.423 -0.752 20 0 FBADRP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CC4CC3(C[NH3+])C4)cn2)CC1 ZINC000659686437 485242460 /nfs/dbraw/zinc/24/24/60/485242460.db2.gz YGLSATXLLJOBSL-UHFFFAOYSA-N 2 0 372.473 -0.601 20 0 FBADRP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)NCC3([NH3+])CCCC3)cn2)CC1 ZINC000659686499 485242565 /nfs/dbraw/zinc/24/25/65/485242565.db2.gz ZOFLLXVIKRVXDQ-UHFFFAOYSA-N 2 0 374.489 -0.163 20 0 FBADRP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000659686516 485243053 /nfs/dbraw/zinc/24/30/53/485243053.db2.gz ZXVQSPNTBVIJAA-CVEARBPZSA-N 2 0 355.527 -0.136 20 0 FBADRP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000659686517 485242907 /nfs/dbraw/zinc/24/29/07/485242907.db2.gz ZXVQSPNTBVIJAA-HZPDHXFCSA-N 2 0 355.527 -0.136 20 0 FBADRP C[NH+](C)CC[C@@H](NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)C(C)(C)C ZINC000659686567 485242980 /nfs/dbraw/zinc/24/29/80/485242980.db2.gz GSNRIWWDLQTCBT-GFCCVEGCSA-N 2 0 366.466 -0.260 20 0 FBADRP C[NH+](C)CC[C@H](NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)C(C)(C)C ZINC000659686568 485243161 /nfs/dbraw/zinc/24/31/61/485243161.db2.gz GSNRIWWDLQTCBT-LBPRGKRZSA-N 2 0 366.466 -0.260 20 0 FBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000659688269 485244215 /nfs/dbraw/zinc/24/42/15/485244215.db2.gz WCFVFCSJTQEUGK-CYBMUJFWSA-N 2 0 369.510 -0.547 20 0 FBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000659688270 485243628 /nfs/dbraw/zinc/24/36/28/485243628.db2.gz WCFVFCSJTQEUGK-ZDUSSCGKSA-N 2 0 369.510 -0.547 20 0 FBADRP C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659688901 485243891 /nfs/dbraw/zinc/24/38/91/485243891.db2.gz NYOXWTHNBVDLML-UHFFFAOYSA-N 2 0 374.489 -0.163 20 0 FBADRP C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659689077 485243880 /nfs/dbraw/zinc/24/38/80/485243880.db2.gz RLOHGLUGPSEWKG-UHFFFAOYSA-N 2 0 372.473 -0.682 20 0 FBADRP C[C@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)[NH+]1CCC(C)CC1 ZINC000659689114 485244384 /nfs/dbraw/zinc/24/43/84/485244384.db2.gz SMCKIXCHQIFDBY-GFCCVEGCSA-N 2 0 364.450 -0.506 20 0 FBADRP C[C@@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)[NH+]1CCC(C)CC1 ZINC000659689115 485244255 /nfs/dbraw/zinc/24/42/55/485244255.db2.gz SMCKIXCHQIFDBY-LBPRGKRZSA-N 2 0 364.450 -0.506 20 0 FBADRP C[C@@H]1CCN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)[C@H](C[NH3+])C1 ZINC000659689186 485243534 /nfs/dbraw/zinc/24/35/34/485243534.db2.gz VZLQGCUZMPPKCI-CABCVRRESA-N 2 0 353.511 -0.286 20 0 FBADRP C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000659689268 485244156 /nfs/dbraw/zinc/24/41/56/485244156.db2.gz YLBLRQXMJFOFPV-UHFFFAOYSA-N 2 0 372.473 -0.601 20 0 FBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000659689269 485244424 /nfs/dbraw/zinc/24/44/24/485244424.db2.gz YLRUQZGVGRUWNN-UHFFFAOYSA-N 2 0 362.478 -0.355 20 0 FBADRP C[NH+]1CCN(c2cc(CNC(=O)C(=O)N3CC4CC3(C[NH3+])C4)ccn2)CC1 ZINC000659689431 485244373 /nfs/dbraw/zinc/24/43/73/485244373.db2.gz AMPMGOHOMCFMRM-UHFFFAOYSA-N 2 0 372.473 -0.601 20 0 FBADRP C[C@@H]1CCN(C(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)[C@H](C[NH3+])C1 ZINC000659689452 485244395 /nfs/dbraw/zinc/24/43/95/485244395.db2.gz ASFKLBNHWDUMCL-ZBFHGGJFSA-N 2 0 353.511 -0.286 20 0 FBADRP C[NH+]1CCN(c2cc(CNC(=O)C(=O)NCC3([NH3+])CCCC3)ccn2)CC1 ZINC000659690062 485243577 /nfs/dbraw/zinc/24/35/77/485243577.db2.gz NHPMNDJONBKULV-UHFFFAOYSA-N 2 0 374.489 -0.163 20 0 FBADRP CN1CCC([NH+]2CCC(NC(=O)C(=O)N3CC[C@@H](F)[C@H]([NH3+])C3)CC2)CC1 ZINC000659690495 485243592 /nfs/dbraw/zinc/24/35/92/485243592.db2.gz ATHLYRKJARJYOJ-HZPDHXFCSA-N 2 0 369.485 -0.441 20 0 FBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000659690895 485243838 /nfs/dbraw/zinc/24/38/38/485243838.db2.gz YQUNLMBHPFAXNQ-UHFFFAOYSA-N 2 0 362.478 -0.355 20 0 FBADRP C[NH+]1CCN(c2cc(CNC(=O)C(=O)NCC34CC(C3)C[NH2+]4)ccn2)CC1 ZINC000659691020 485244550 /nfs/dbraw/zinc/24/45/50/485244550.db2.gz ZPYXERJHRWONMJ-UHFFFAOYSA-N 2 0 372.473 -0.682 20 0 FBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000659692033 485244189 /nfs/dbraw/zinc/24/41/89/485244189.db2.gz WCCDDSNXDRTSJZ-CYBMUJFWSA-N 2 0 363.462 -0.682 20 0 FBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000659692034 485244261 /nfs/dbraw/zinc/24/42/61/485244261.db2.gz WCCDDSNXDRTSJZ-ZDUSSCGKSA-N 2 0 363.462 -0.682 20 0 FBADRP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@@H](C)C[NH2+]C)cn2)CC1 ZINC000659694140 485245973 /nfs/dbraw/zinc/24/59/73/485245973.db2.gz GMRUDPAWMHTEIO-AWEZNQCLSA-N 2 0 362.478 -0.436 20 0 FBADRP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@H](C)C[NH2+]C)cn2)CC1 ZINC000659694141 485245434 /nfs/dbraw/zinc/24/54/34/485245434.db2.gz GMRUDPAWMHTEIO-CQSZACIVSA-N 2 0 362.478 -0.436 20 0 FBADRP [NH3+]C1(CNC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CCCC1 ZINC000659694854 485244979 /nfs/dbraw/zinc/24/49/79/485244979.db2.gz ROYZFKAOGNTKHA-AWEZNQCLSA-N 2 0 352.479 -0.009 20 0 FBADRP [NH3+]C1(CNC(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CCCC1 ZINC000659694856 485245944 /nfs/dbraw/zinc/24/59/44/485245944.db2.gz ROYZFKAOGNTKHA-CQSZACIVSA-N 2 0 352.479 -0.009 20 0 FBADRP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000659695651 485245793 /nfs/dbraw/zinc/24/57/93/485245793.db2.gz ANYZMPLJSVEFGJ-UONOGXRCSA-N 2 0 355.483 -0.820 20 0 FBADRP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000659695652 485245888 /nfs/dbraw/zinc/24/58/88/485245888.db2.gz ANYZMPLJSVEFGJ-ZIAGYGMSSA-N 2 0 355.483 -0.820 20 0 FBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)NCC2([NH3+])CCCC2)C1 ZINC000659695686 485245479 /nfs/dbraw/zinc/24/54/79/485245479.db2.gz CMESSHOVCLVWPH-CYBMUJFWSA-N 2 0 353.467 -0.922 20 0 FBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)NCC2([NH3+])CCCC2)C1 ZINC000659695687 485244865 /nfs/dbraw/zinc/24/48/65/485244865.db2.gz CMESSHOVCLVWPH-ZDUSSCGKSA-N 2 0 353.467 -0.922 20 0 FBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659696076 485245088 /nfs/dbraw/zinc/24/50/88/485245088.db2.gz KNAOYAVEYKYHDA-INIZCTEOSA-N 2 0 354.495 -0.081 20 0 FBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659696078 485245535 /nfs/dbraw/zinc/24/55/35/485245535.db2.gz KNAOYAVEYKYHDA-MRXNPFEDSA-N 2 0 354.495 -0.081 20 0 FBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659696363 485245468 /nfs/dbraw/zinc/24/54/68/485245468.db2.gz NDHPGMONCYREDL-INIZCTEOSA-N 2 0 354.495 -0.081 20 0 FBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659696365 485245068 /nfs/dbraw/zinc/24/50/68/485245068.db2.gz NDHPGMONCYREDL-MRXNPFEDSA-N 2 0 354.495 -0.081 20 0 FBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000659696405 485245239 /nfs/dbraw/zinc/24/52/39/485245239.db2.gz NLPCAXMRFVXDLG-HNNXBMFYSA-N 3 0 362.478 -0.566 20 0 FBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000659696406 485245580 /nfs/dbraw/zinc/24/55/80/485245580.db2.gz NLPCAXMRFVXDLG-OAHLLOKOSA-N 3 0 362.478 -0.566 20 0 FBADRP C[C@@H]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)[C@H](C[NH3+])C1 ZINC000659696705 485245308 /nfs/dbraw/zinc/24/53/08/485245308.db2.gz PASFUNXSODNLOR-ILXRZTDVSA-N 2 0 367.494 -0.724 20 0 FBADRP C[C@@H]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)[C@H](C[NH3+])C1 ZINC000659696706 485245862 /nfs/dbraw/zinc/24/58/62/485245862.db2.gz PASFUNXSODNLOR-KFWWJZLASA-N 2 0 367.494 -0.724 20 0 FBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000659696944 485245566 /nfs/dbraw/zinc/24/55/66/485245566.db2.gz DOVXCKOAZCVOSC-DOTOQJQBSA-N 2 0 361.490 -0.185 20 0 FBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000659696945 485245778 /nfs/dbraw/zinc/24/57/78/485245778.db2.gz DOVXCKOAZCVOSC-NVXWUHKLSA-N 2 0 361.490 -0.185 20 0 FBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000659696946 485245427 /nfs/dbraw/zinc/24/54/27/485245427.db2.gz DOVXCKOAZCVOSC-RDJZCZTQSA-N 2 0 361.490 -0.185 20 0 FBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000659696948 485244847 /nfs/dbraw/zinc/24/48/47/485244847.db2.gz DOVXCKOAZCVOSC-WBVHZDCISA-N 2 0 361.490 -0.185 20 0 FBADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000659697363 485245185 /nfs/dbraw/zinc/24/51/85/485245185.db2.gz CETCYRUKTLHHGG-HUUCEWRRSA-N 2 0 357.474 -0.582 20 0 FBADRP CC1CC[NH+](CCNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000659697507 485245523 /nfs/dbraw/zinc/24/55/23/485245523.db2.gz IPJNPYWKRMPLNF-UHFFFAOYSA-N 2 0 350.423 -0.895 20 0 FBADRP CCN1CC[NH+](CCCCNC(=O)C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659698283 484246698 /nfs/dbraw/zinc/24/66/98/484246698.db2.gz GYQPYETZZAAORM-UHFFFAOYSA-N 2 0 353.511 -0.092 20 0 FBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659698655 485245711 /nfs/dbraw/zinc/24/57/11/485245711.db2.gz GYJFWKVPDDUPKH-AWEZNQCLSA-N 2 0 367.494 -0.567 20 0 FBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659698656 485245259 /nfs/dbraw/zinc/24/52/59/485245259.db2.gz GYJFWKVPDDUPKH-CQSZACIVSA-N 2 0 367.494 -0.567 20 0 FBADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000659698804 485244960 /nfs/dbraw/zinc/24/49/60/485244960.db2.gz MVVRRSQGXIGJCO-UHFFFAOYSA-N 2 0 351.495 -0.530 20 0 FBADRP CN(CCC[NH3+])C(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000659698953 485245659 /nfs/dbraw/zinc/24/56/59/485245659.db2.gz SWYOOTOTVSLGRW-KRWDZBQOSA-N 2 0 361.490 -0.102 20 0 FBADRP CN(CCC[NH3+])C(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000659698955 485245574 /nfs/dbraw/zinc/24/55/74/485245574.db2.gz SWYOOTOTVSLGRW-QGZVFWFLSA-N 2 0 361.490 -0.102 20 0 FBADRP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000659699053 485245675 /nfs/dbraw/zinc/24/56/75/485245675.db2.gz JOUQHGQTXPQLTL-CABCVRRESA-N 2 0 369.510 -0.465 20 0 FBADRP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000659699054 485245112 /nfs/dbraw/zinc/24/51/12/485245112.db2.gz JOUQHGQTXPQLTL-HUUCEWRRSA-N 2 0 369.510 -0.465 20 0 FBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659699225 485246701 /nfs/dbraw/zinc/24/67/01/485246701.db2.gz UJHCTWVFGWQFIQ-LLVKDONJSA-N 2 0 350.423 -0.752 20 0 FBADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659699226 485246262 /nfs/dbraw/zinc/24/62/62/485246262.db2.gz UJHCTWVFGWQFIQ-NSHDSACASA-N 2 0 350.423 -0.752 20 0 FBADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659699590 485246926 /nfs/dbraw/zinc/24/69/26/485246926.db2.gz YSZUEEMZRRQQNT-LLVKDONJSA-N 2 0 350.423 -0.895 20 0 FBADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659699591 485246687 /nfs/dbraw/zinc/24/66/87/485246687.db2.gz YSZUEEMZRRQQNT-NSHDSACASA-N 2 0 350.423 -0.895 20 0 FBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000659699667 485247119 /nfs/dbraw/zinc/24/71/19/485247119.db2.gz RWJZKGXCTFBRNF-CYBMUJFWSA-N 2 0 355.483 -0.759 20 0 FBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000659699668 485246669 /nfs/dbraw/zinc/24/66/69/485246669.db2.gz RWJZKGXCTFBRNF-ZDUSSCGKSA-N 2 0 355.483 -0.759 20 0 FBADRP C[C@@H]1CCN(C(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)[C@H](C[NH3+])C1 ZINC000659699903 485246266 /nfs/dbraw/zinc/24/62/66/485246266.db2.gz XIADSVARGPUFLK-CVEARBPZSA-N 2 0 353.511 -0.284 20 0 FBADRP C[C@H](NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)C(C)(C)C[NH+](C)C ZINC000659700413 485246893 /nfs/dbraw/zinc/24/68/93/485246893.db2.gz JQXIJKBOFDQGCM-JTQLQIEISA-N 2 0 352.439 -0.650 20 0 FBADRP C[C@@H](NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)C(C)(C)C[NH+](C)C ZINC000659700414 485247134 /nfs/dbraw/zinc/24/71/34/485247134.db2.gz JQXIJKBOFDQGCM-SNVBAGLBSA-N 2 0 352.439 -0.650 20 0 FBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000659701570 485246658 /nfs/dbraw/zinc/24/66/58/485246658.db2.gz GGYGPPGNURONTG-AWEZNQCLSA-N 2 0 362.474 -0.016 20 0 FBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000659701571 485246366 /nfs/dbraw/zinc/24/63/66/485246366.db2.gz GGYGPPGNURONTG-CQSZACIVSA-N 2 0 362.474 -0.016 20 0 FBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659702548 485246412 /nfs/dbraw/zinc/24/64/12/485246412.db2.gz PPSUCGFKHUHIOR-GFCCVEGCSA-N 2 0 350.423 -0.752 20 0 FBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659702549 485247029 /nfs/dbraw/zinc/24/70/29/485247029.db2.gz PPSUCGFKHUHIOR-LBPRGKRZSA-N 2 0 350.423 -0.752 20 0 FBADRP [NH3+]CC12CC(C1)CN2C(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000659704107 485246621 /nfs/dbraw/zinc/24/66/21/485246621.db2.gz KQLZWOQHZVNMIS-UHFFFAOYSA-N 2 0 350.463 -0.303 20 0 FBADRP C[N@H+](CCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)C1CCCC1 ZINC000659704149 485246712 /nfs/dbraw/zinc/24/67/12/485246712.db2.gz MKACJIUBLGSQNU-UHFFFAOYSA-N 2 0 350.423 -0.752 20 0 FBADRP O=C(NCC12CC(C1)C[NH2+]2)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000659704700 485246438 /nfs/dbraw/zinc/24/64/38/485246438.db2.gz RNTGHMZRIGXHRS-UHFFFAOYSA-N 2 0 350.463 -0.384 20 0 FBADRP [NH3+][C@@H]1CN(C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC[C@H]1F ZINC000659704768 485246320 /nfs/dbraw/zinc/24/63/20/485246320.db2.gz UBHOONFIRKFDEO-ZIAGYGMSSA-N 2 0 356.442 -0.355 20 0 FBADRP CC(C)[NH+](CCCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)C(C)C ZINC000659704963 485247060 /nfs/dbraw/zinc/24/70/60/485247060.db2.gz RGKZLMPDDDQFMO-UHFFFAOYSA-N 2 0 366.466 -0.118 20 0 FBADRP CC(C)(CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)C[NH+]1CCCC1 ZINC000659705569 485247098 /nfs/dbraw/zinc/24/70/98/485247098.db2.gz YRQATHYIGMZNEA-UHFFFAOYSA-N 2 0 364.450 -0.505 20 0 FBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000659706836 485248315 /nfs/dbraw/zinc/24/83/15/485248315.db2.gz PZSIOMVAMCEJEU-AWEZNQCLSA-N 2 0 362.474 -0.016 20 0 FBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000659706837 485248121 /nfs/dbraw/zinc/24/81/21/485248121.db2.gz PZSIOMVAMCEJEU-CQSZACIVSA-N 2 0 362.474 -0.016 20 0 FBADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659707136 485248297 /nfs/dbraw/zinc/24/82/97/485248297.db2.gz AQEKEUHWHSHPHX-GFCCVEGCSA-N 2 0 364.450 -0.506 20 0 FBADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659707137 485248059 /nfs/dbraw/zinc/24/80/59/485248059.db2.gz AQEKEUHWHSHPHX-LBPRGKRZSA-N 2 0 364.450 -0.506 20 0 FBADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000659707440 485247495 /nfs/dbraw/zinc/24/74/95/485247495.db2.gz ITJCBTMTEZRYLH-UHFFFAOYSA-N 2 0 352.479 -0.058 20 0 FBADRP C[C@H](CCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)[NH+]1CCCCC1 ZINC000659707608 485247848 /nfs/dbraw/zinc/24/78/48/485247848.db2.gz YQODZQAJAJYNGA-GFCCVEGCSA-N 2 0 364.450 -0.362 20 0 FBADRP C[C@@H](CCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)[NH+]1CCCCC1 ZINC000659707610 485248367 /nfs/dbraw/zinc/24/83/67/485248367.db2.gz YQODZQAJAJYNGA-LBPRGKRZSA-N 2 0 364.450 -0.362 20 0 FBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659707664 485247864 /nfs/dbraw/zinc/24/78/64/485247864.db2.gz HHJZFCWDNHMIIY-INIZCTEOSA-N 2 0 354.495 -0.081 20 0 FBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659707667 485248333 /nfs/dbraw/zinc/24/83/33/485248333.db2.gz HHJZFCWDNHMIIY-MRXNPFEDSA-N 2 0 354.495 -0.081 20 0 FBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)n1 ZINC000659707838 485248162 /nfs/dbraw/zinc/24/81/62/485248162.db2.gz ZPLVXVWCKHZAOP-CYBMUJFWSA-N 2 0 362.434 -0.610 20 0 FBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)n1 ZINC000659707839 485247761 /nfs/dbraw/zinc/24/77/61/485247761.db2.gz ZPLVXVWCKHZAOP-ZDUSSCGKSA-N 2 0 362.434 -0.610 20 0 FBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659708369 485247837 /nfs/dbraw/zinc/24/78/37/485247837.db2.gz ROKAMVAPAJBFRK-INIZCTEOSA-N 2 0 354.495 -0.081 20 0 FBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659708370 485248365 /nfs/dbraw/zinc/24/83/65/485248365.db2.gz ROKAMVAPAJBFRK-MRXNPFEDSA-N 2 0 354.495 -0.081 20 0 FBADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659708427 485248356 /nfs/dbraw/zinc/24/83/56/485248356.db2.gz QYHCSKUWFCJSGC-UHFFFAOYSA-N 2 0 352.479 -0.140 20 0 FBADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000659708781 485247931 /nfs/dbraw/zinc/24/79/31/485247931.db2.gz YJDPRGBLSCCHNS-ZIAGYGMSSA-N 2 0 358.458 -0.110 20 0 FBADRP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C(=O)NC2CC[NH2+]CC2)C1 ZINC000659708844 485248349 /nfs/dbraw/zinc/24/83/49/485248349.db2.gz AEZICBFTTXXTKJ-GOSISDBHSA-N 2 0 373.501 -0.213 20 0 FBADRP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C(=O)NC2CC[NH2+]CC2)C1 ZINC000659708848 485247598 /nfs/dbraw/zinc/24/75/98/485247598.db2.gz AEZICBFTTXXTKJ-SFHVURJKSA-N 2 0 373.501 -0.213 20 0 FBADRP CC(C)[NH+](CCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)C(C)C ZINC000659708983 485247562 /nfs/dbraw/zinc/24/75/62/485247562.db2.gz BRLCWEQXOCEMNY-UHFFFAOYSA-N 2 0 352.439 -0.508 20 0 FBADRP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000659709086 485247811 /nfs/dbraw/zinc/24/78/11/485247811.db2.gz DRXKSGOPELSKLK-MSOLQXFVSA-N 2 0 373.501 -0.213 20 0 FBADRP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000659709087 485248989 /nfs/dbraw/zinc/24/89/89/485248989.db2.gz DRXKSGOPELSKLK-QZTJIDSGSA-N 2 0 373.501 -0.213 20 0 FBADRP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000659709088 485249004 /nfs/dbraw/zinc/24/90/04/485249004.db2.gz DRXKSGOPELSKLK-ROUUACIJSA-N 2 0 373.501 -0.213 20 0 FBADRP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000659709089 485249337 /nfs/dbraw/zinc/24/93/37/485249337.db2.gz DRXKSGOPELSKLK-ZWKOTPCHSA-N 2 0 373.501 -0.213 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000659709143 485249286 /nfs/dbraw/zinc/24/92/86/485249286.db2.gz FLXBWXVCGDJVCK-KSTDHSDQSA-N 2 0 351.495 -0.674 20 0 FBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000659709144 485249260 /nfs/dbraw/zinc/24/92/60/485249260.db2.gz FLXBWXVCGDJVCK-SYJJWHGVSA-N 2 0 351.495 -0.674 20 0 FBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659709145 485249412 /nfs/dbraw/zinc/24/94/12/485249412.db2.gz FPGJBYMOEDLCOV-HNNXBMFYSA-N 2 0 353.511 -0.236 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659709146 485249222 /nfs/dbraw/zinc/24/92/22/485249222.db2.gz FPGJBYMOEDLCOV-OAHLLOKOSA-N 2 0 353.511 -0.236 20 0 FBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])CC1 ZINC000659709171 485248922 /nfs/dbraw/zinc/24/89/22/485248922.db2.gz GGEXPPNOTXSLMJ-IKGGRYGDSA-N 2 0 367.538 -0.038 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])CC1 ZINC000659709172 485249386 /nfs/dbraw/zinc/24/93/86/485249386.db2.gz GGEXPPNOTXSLMJ-ZACQAIPSSA-N 2 0 367.538 -0.038 20 0 FBADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)c1ccccc1 ZINC000659709601 485249395 /nfs/dbraw/zinc/24/93/95/485249395.db2.gz LBNKTLCZNHFUKE-AWEZNQCLSA-N 2 0 372.429 -0.324 20 0 FBADRP C[NH+](C)[C@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)c1ccccc1 ZINC000659709603 485249435 /nfs/dbraw/zinc/24/94/35/485249435.db2.gz LBNKTLCZNHFUKE-CQSZACIVSA-N 2 0 372.429 -0.324 20 0 FBADRP O=C(NCCCN1CC[NH2+]CC1)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000659709826 485249280 /nfs/dbraw/zinc/24/92/80/485249280.db2.gz JAJLQZUKUCBXQL-UHFFFAOYSA-N 2 0 365.522 -0.364 20 0 FBADRP C[NH+](C)C1(CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CCCCC1 ZINC000659710028 485249406 /nfs/dbraw/zinc/24/94/06/485249406.db2.gz OKORMAWVAIHVKK-UHFFFAOYSA-N 2 0 364.450 -0.362 20 0 FBADRP O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000659710890 485248854 /nfs/dbraw/zinc/24/88/54/485248854.db2.gz SIHILCHJFZCLCY-HNNXBMFYSA-N 2 0 351.495 -0.469 20 0 FBADRP O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000659710891 485248880 /nfs/dbraw/zinc/24/88/80/485248880.db2.gz SIHILCHJFZCLCY-OAHLLOKOSA-N 2 0 351.495 -0.469 20 0 FBADRP O=C(NCC1CC[NH+](C2CCOCC2)CC1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000659711018 485249381 /nfs/dbraw/zinc/24/93/81/485249381.db2.gz VWZUIWIUEFYVHA-HNNXBMFYSA-N 2 0 352.479 -0.138 20 0 FBADRP O=C(NCC1CC[NH+](C2CCOCC2)CC1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000659711019 485248872 /nfs/dbraw/zinc/24/88/72/485248872.db2.gz VWZUIWIUEFYVHA-OAHLLOKOSA-N 2 0 352.479 -0.138 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000659711142 485249078 /nfs/dbraw/zinc/24/90/78/485249078.db2.gz XCIZZAAVEQNFLB-RBSFLKMASA-N 2 0 357.474 -0.726 20 0 FBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000659711143 485248772 /nfs/dbraw/zinc/24/87/72/485248772.db2.gz XCIZZAAVEQNFLB-RRFJBIMHSA-N 2 0 357.474 -0.726 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NCC[C@@H]([NH3+])C(C)C)CC1 ZINC000659711145 485249372 /nfs/dbraw/zinc/24/93/72/485249372.db2.gz XCYBWYWDJDBIGG-HZPDHXFCSA-N 2 0 355.527 -0.134 20 0 FBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NCC[C@@H]([NH3+])C(C)C)CC1 ZINC000659711146 485249244 /nfs/dbraw/zinc/24/92/44/485249244.db2.gz XCYBWYWDJDBIGG-JKSUJKDBSA-N 2 0 355.527 -0.134 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659711167 485249331 /nfs/dbraw/zinc/24/93/31/485249331.db2.gz YBWXXHIPDPAQGB-KSTDHSDQSA-N 2 0 351.495 -0.756 20 0 FBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659711168 485249140 /nfs/dbraw/zinc/24/91/40/485249140.db2.gz YBWXXHIPDPAQGB-SYJJWHGVSA-N 2 0 351.495 -0.756 20 0 FBADRP C[C@H](CNC(=O)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+])C[NH+]1CCN(C)CC1 ZINC000659711169 485248733 /nfs/dbraw/zinc/24/87/33/485248733.db2.gz YCBARJFUJZGDEE-OAGGEKHMSA-N 2 0 353.511 -0.428 20 0 FBADRP C[C@@H](CNC(=O)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+])C[NH+]1CCN(C)CC1 ZINC000659711170 485249182 /nfs/dbraw/zinc/24/91/82/485249182.db2.gz YCBARJFUJZGDEE-PMPSAXMXSA-N 2 0 353.511 -0.428 20 0 FBADRP O=C(NCCCN1CC[NH2+]CC1)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000659711381 485248701 /nfs/dbraw/zinc/24/87/01/485248701.db2.gz XLEPLJUMOVQXBL-INIZCTEOSA-N 2 0 365.522 -0.079 20 0 FBADRP O=C(NCCCN1CC[NH2+]CC1)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000659711382 485249063 /nfs/dbraw/zinc/24/90/63/485249063.db2.gz XLEPLJUMOVQXBL-MRXNPFEDSA-N 2 0 365.522 -0.079 20 0 FBADRP C[NH2+]CCCNC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000659711394 485249169 /nfs/dbraw/zinc/24/91/69/485249169.db2.gz YBXLODGUDMGAKR-KRWDZBQOSA-N 2 0 361.490 -0.356 20 0 FBADRP C[NH2+]CCCNC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000659711395 485249127 /nfs/dbraw/zinc/24/91/27/485249127.db2.gz YBXLODGUDMGAKR-QGZVFWFLSA-N 2 0 361.490 -0.356 20 0 FBADRP O=C(NCCN1CC[NH2+]CC1)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000659711407 485248968 /nfs/dbraw/zinc/24/89/68/485248968.db2.gz YHTWNFZJFHQSAO-UHFFFAOYSA-N 2 0 351.495 -0.754 20 0 FBADRP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000659711495 485248649 /nfs/dbraw/zinc/24/86/49/485248649.db2.gz AMAJSHXCISCHKJ-MSOLQXFVSA-N 2 0 373.501 -0.213 20 0 FBADRP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000659711496 485248841 /nfs/dbraw/zinc/24/88/41/485248841.db2.gz AMAJSHXCISCHKJ-QZTJIDSGSA-N 2 0 373.501 -0.213 20 0 FBADRP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000659711497 485248799 /nfs/dbraw/zinc/24/87/99/485248799.db2.gz AMAJSHXCISCHKJ-ROUUACIJSA-N 2 0 373.501 -0.213 20 0 FBADRP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000659711498 485249356 /nfs/dbraw/zinc/24/93/56/485249356.db2.gz AMAJSHXCISCHKJ-ZWKOTPCHSA-N 2 0 373.501 -0.213 20 0 FBADRP O=C(NCC[NH2+]C1CC1)C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000659711906 485249855 /nfs/dbraw/zinc/24/98/55/485249855.db2.gz FGPQZULXICXMMG-UHFFFAOYSA-N 2 0 352.479 -0.138 20 0 FBADRP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000659712349 485249945 /nfs/dbraw/zinc/24/99/45/485249945.db2.gz IJEQRRBUYZENAK-HNNXBMFYSA-N 2 0 352.479 -0.138 20 0 FBADRP O=C(NC[C@H]1CCC[NH2+]1)C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000659712350 485250287 /nfs/dbraw/zinc/25/02/87/485250287.db2.gz IJEQRRBUYZENAK-OAHLLOKOSA-N 2 0 352.479 -0.138 20 0 FBADRP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C(=O)NCC[NH2+]C2CC2)C1 ZINC000659713489 485249933 /nfs/dbraw/zinc/24/99/33/485249933.db2.gz QITCHOWJHCNWJI-GOSISDBHSA-N 2 0 373.501 -0.213 20 0 FBADRP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C(=O)NCC[NH2+]C2CC2)C1 ZINC000659713490 485250199 /nfs/dbraw/zinc/25/01/99/485250199.db2.gz QITCHOWJHCNWJI-SFHVURJKSA-N 2 0 373.501 -0.213 20 0 FBADRP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C(=O)NCC2C[NH2+]C2)C1 ZINC000659713654 485249777 /nfs/dbraw/zinc/24/97/77/485249777.db2.gz GYTXJFYTFXOUMN-KRWDZBQOSA-N 2 0 359.474 -0.746 20 0 FBADRP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C(=O)NCC2C[NH2+]C2)C1 ZINC000659713655 485250437 /nfs/dbraw/zinc/25/04/37/485250437.db2.gz GYTXJFYTFXOUMN-QGZVFWFLSA-N 2 0 359.474 -0.746 20 0 FBADRP CC[NH2+]CCNC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000659714742 485250070 /nfs/dbraw/zinc/25/00/70/485250070.db2.gz VAOFLRZOHWDXFK-KRWDZBQOSA-N 2 0 361.490 -0.356 20 0 FBADRP CC[NH2+]CCNC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000659714743 485250025 /nfs/dbraw/zinc/25/00/25/485250025.db2.gz VAOFLRZOHWDXFK-QGZVFWFLSA-N 2 0 361.490 -0.356 20 0 FBADRP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000659715128 485250425 /nfs/dbraw/zinc/25/04/25/485250425.db2.gz OGPVNJVMWMBBSQ-MSOLQXFVSA-N 2 0 373.501 -0.228 20 0 FBADRP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000659715130 485250489 /nfs/dbraw/zinc/25/04/89/485250489.db2.gz OGPVNJVMWMBBSQ-QZTJIDSGSA-N 2 0 373.501 -0.228 20 0 FBADRP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000659715132 485250387 /nfs/dbraw/zinc/25/03/87/485250387.db2.gz OGPVNJVMWMBBSQ-ROUUACIJSA-N 2 0 373.501 -0.228 20 0 FBADRP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000659715134 485250344 /nfs/dbraw/zinc/25/03/44/485250344.db2.gz OGPVNJVMWMBBSQ-ZWKOTPCHSA-N 2 0 373.501 -0.228 20 0 FBADRP C[C@@H](C[NH3+])CNC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000659715631 485249697 /nfs/dbraw/zinc/24/96/97/485249697.db2.gz XQFUBATXAUEDFA-DOTOQJQBSA-N 2 0 361.490 -0.370 20 0 FBADRP C[C@H](C[NH3+])CNC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000659715633 485250356 /nfs/dbraw/zinc/25/03/56/485250356.db2.gz XQFUBATXAUEDFA-NVXWUHKLSA-N 2 0 361.490 -0.370 20 0 FBADRP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000659715673 485249987 /nfs/dbraw/zinc/24/99/87/485249987.db2.gz RDUOIHHFMQXNHS-DLBZAZTESA-N 2 0 359.474 -0.603 20 0 FBADRP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000659715674 485250412 /nfs/dbraw/zinc/25/04/12/485250412.db2.gz RDUOIHHFMQXNHS-IRXDYDNUSA-N 2 0 359.474 -0.603 20 0 FBADRP C[C@@H](C[NH3+])CNC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000659715694 485250152 /nfs/dbraw/zinc/25/01/52/485250152.db2.gz XQFUBATXAUEDFA-RDJZCZTQSA-N 2 0 361.490 -0.370 20 0 FBADRP C[C@H](C[NH3+])CNC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000659715695 485250214 /nfs/dbraw/zinc/25/02/14/485250214.db2.gz XQFUBATXAUEDFA-WBVHZDCISA-N 2 0 361.490 -0.370 20 0 FBADRP O=C(CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)N1CC[NH2+]CC1 ZINC000659716343 485251338 /nfs/dbraw/zinc/25/13/38/485251338.db2.gz ZMJCGNAIQVVHFT-AWEZNQCLSA-N 2 0 365.478 -0.942 20 0 FBADRP O=C(CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CC[NH2+]CC1 ZINC000659716344 485251653 /nfs/dbraw/zinc/25/16/53/485251653.db2.gz ZMJCGNAIQVVHFT-CQSZACIVSA-N 2 0 365.478 -0.942 20 0 FBADRP C[C@@H](CC[NH3+])NC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000659717138 485251440 /nfs/dbraw/zinc/25/14/40/485251440.db2.gz FGAULNAHWUDYAA-DOTOQJQBSA-N 2 0 361.490 -0.228 20 0 FBADRP C[C@H](CC[NH3+])NC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000659717140 485250855 /nfs/dbraw/zinc/25/08/55/485250855.db2.gz FGAULNAHWUDYAA-NVXWUHKLSA-N 2 0 361.490 -0.228 20 0 FBADRP C[C@@H](CC[NH3+])NC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000659717142 485251770 /nfs/dbraw/zinc/25/17/70/485251770.db2.gz FGAULNAHWUDYAA-RDJZCZTQSA-N 2 0 361.490 -0.228 20 0 FBADRP C[C@H](CC[NH3+])NC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000659717144 485251408 /nfs/dbraw/zinc/25/14/08/485251408.db2.gz FGAULNAHWUDYAA-WBVHZDCISA-N 2 0 361.490 -0.228 20 0 FBADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659717325 485250736 /nfs/dbraw/zinc/25/07/36/485250736.db2.gz GTTPLFBSFZYOCD-BPUTZDHNSA-N 2 0 352.479 -0.010 20 0 FBADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659717326 485251310 /nfs/dbraw/zinc/25/13/10/485251310.db2.gz GTTPLFBSFZYOCD-CWRNSKLLSA-N 2 0 352.479 -0.010 20 0 FBADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659717327 485251675 /nfs/dbraw/zinc/25/16/75/485251675.db2.gz GTTPLFBSFZYOCD-IMJJTQAJSA-N 2 0 352.479 -0.010 20 0 FBADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659717328 485251738 /nfs/dbraw/zinc/25/17/38/485251738.db2.gz GTTPLFBSFZYOCD-NUEKZKHPSA-N 2 0 352.479 -0.010 20 0 FBADRP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000659717722 485251246 /nfs/dbraw/zinc/25/12/46/485251246.db2.gz JUBOSYOHBABTJO-MSOLQXFVSA-N 2 0 373.501 -0.228 20 0 FBADRP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000659717723 485250839 /nfs/dbraw/zinc/25/08/39/485250839.db2.gz JUBOSYOHBABTJO-QZTJIDSGSA-N 2 0 373.501 -0.228 20 0 FBADRP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000659717724 485251720 /nfs/dbraw/zinc/25/17/20/485251720.db2.gz JUBOSYOHBABTJO-ROUUACIJSA-N 2 0 373.501 -0.228 20 0 FBADRP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000659717725 485250972 /nfs/dbraw/zinc/25/09/72/485250972.db2.gz JUBOSYOHBABTJO-ZWKOTPCHSA-N 2 0 373.501 -0.228 20 0 FBADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659718096 485250804 /nfs/dbraw/zinc/25/08/04/485250804.db2.gz MZPHJOLSSDCBAS-AEGPPILISA-N 2 0 368.478 -0.415 20 0 FBADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659718097 485250996 /nfs/dbraw/zinc/25/09/96/485250996.db2.gz MZPHJOLSSDCBAS-CFVMTHIKSA-N 2 0 368.478 -0.415 20 0 FBADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659718098 485251733 /nfs/dbraw/zinc/25/17/33/485251733.db2.gz MZPHJOLSSDCBAS-NWANDNLSSA-N 2 0 368.478 -0.415 20 0 FBADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659718099 485250878 /nfs/dbraw/zinc/25/08/78/485250878.db2.gz MZPHJOLSSDCBAS-QEJZJMRPSA-N 2 0 368.478 -0.415 20 0 FBADRP [NH3+]C[C@H](NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)C1CCCC1 ZINC000659719101 485251184 /nfs/dbraw/zinc/25/11/84/485251184.db2.gz FYSSGOYNOMCIDD-CVEARBPZSA-N 2 0 352.479 -0.010 20 0 FBADRP [NH3+]C[C@H](NC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)C1CCCC1 ZINC000659719102 485251375 /nfs/dbraw/zinc/25/13/75/485251375.db2.gz FYSSGOYNOMCIDD-HOTGVXAUSA-N 2 0 352.479 -0.010 20 0 FBADRP [NH3+]C[C@@H](NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)C1CCCC1 ZINC000659719103 485251024 /nfs/dbraw/zinc/25/10/24/485251024.db2.gz FYSSGOYNOMCIDD-HZPDHXFCSA-N 2 0 352.479 -0.010 20 0 FBADRP [NH3+]C[C@@H](NC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)C1CCCC1 ZINC000659719104 485252094 /nfs/dbraw/zinc/25/20/94/485252094.db2.gz FYSSGOYNOMCIDD-JKSUJKDBSA-N 2 0 352.479 -0.010 20 0 FBADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000659719464 485253069 /nfs/dbraw/zinc/25/30/69/485253069.db2.gz YIKWZNXWVBZJKW-KKUMJFAQSA-N 2 0 370.494 -0.215 20 0 FBADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000659719465 485252775 /nfs/dbraw/zinc/25/27/75/485252775.db2.gz YIKWZNXWVBZJKW-RRFJBIMHSA-N 2 0 370.494 -0.215 20 0 FBADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000659719466 485252837 /nfs/dbraw/zinc/25/28/37/485252837.db2.gz YIKWZNXWVBZJKW-SOUVJXGZSA-N 2 0 370.494 -0.215 20 0 FBADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000659719467 485252848 /nfs/dbraw/zinc/25/28/48/485252848.db2.gz YIKWZNXWVBZJKW-ZNMIVQPWSA-N 2 0 370.494 -0.215 20 0 FBADRP COCC[NH2+]CCNC(=O)C(=O)N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000659721180 485252367 /nfs/dbraw/zinc/25/23/67/485252367.db2.gz DUBUAKLRUBLQGS-HUUCEWRRSA-N 2 0 368.478 -0.902 20 0 FBADRP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C(=O)NCC(C)(C)[NH3+])C1 ZINC000659721280 485252817 /nfs/dbraw/zinc/25/28/17/485252817.db2.gz ZNZJTJMNMNQRCB-INIZCTEOSA-N 2 0 361.490 -0.228 20 0 FBADRP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C(=O)NCC(C)(C)[NH3+])C1 ZINC000659721282 485252135 /nfs/dbraw/zinc/25/21/35/485252135.db2.gz ZNZJTJMNMNQRCB-MRXNPFEDSA-N 2 0 361.490 -0.228 20 0 FBADRP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C(=O)NCC2([NH3+])CCC2)C1 ZINC000659721555 485252412 /nfs/dbraw/zinc/25/24/12/485252412.db2.gz AFLDGPMWJUITJS-KRWDZBQOSA-N 2 0 373.501 -0.084 20 0 FBADRP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C(=O)NCC2([NH3+])CCC2)C1 ZINC000659721556 485252598 /nfs/dbraw/zinc/25/25/98/485252598.db2.gz AFLDGPMWJUITJS-QGZVFWFLSA-N 2 0 373.501 -0.084 20 0 FBADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000659721692 485252955 /nfs/dbraw/zinc/25/29/55/485252955.db2.gz KGPRDIPAKADSQG-CAOSSQGBSA-N 2 0 364.490 -0.140 20 0 FBADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000659721693 485252664 /nfs/dbraw/zinc/25/26/64/485252664.db2.gz KGPRDIPAKADSQG-KLHDSHLOSA-N 2 0 364.490 -0.140 20 0 FBADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000659721694 485252926 /nfs/dbraw/zinc/25/29/26/485252926.db2.gz KGPRDIPAKADSQG-QKPAOTATSA-N 2 0 364.490 -0.140 20 0 FBADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000659721695 485251977 /nfs/dbraw/zinc/25/19/77/485251977.db2.gz KGPRDIPAKADSQG-ZJIFWQFVSA-N 2 0 364.490 -0.140 20 0 FBADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000659722189 485252075 /nfs/dbraw/zinc/25/20/75/485252075.db2.gz KKXDDSIURWFJPX-CAOSSQGBSA-N 2 0 364.490 -0.140 20 0 FBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000659722193 485252109 /nfs/dbraw/zinc/25/21/09/485252109.db2.gz KKXDDSIURWFJPX-KLHDSHLOSA-N 2 0 364.490 -0.140 20 0 FBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000659722195 485253012 /nfs/dbraw/zinc/25/30/12/485253012.db2.gz KKXDDSIURWFJPX-QKPAOTATSA-N 2 0 364.490 -0.140 20 0 FBADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000659722198 485252998 /nfs/dbraw/zinc/25/29/98/485252998.db2.gz KKXDDSIURWFJPX-ZJIFWQFVSA-N 2 0 364.490 -0.140 20 0 FBADRP O=C(NCC1=CC[NH2+]CC1)C(=O)N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000659722562 485252315 /nfs/dbraw/zinc/25/23/15/485252315.db2.gz LVWKMALURMPMHJ-HZPDHXFCSA-N 2 0 362.474 -0.218 20 0 FBADRP [NH3+]C1(CNC(=O)C(=O)N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)CCC1 ZINC000659722565 485252210 /nfs/dbraw/zinc/25/22/10/485252210.db2.gz HGVSQPMUSZIZEQ-ZIAGYGMSSA-N 2 0 350.463 -0.256 20 0 FBADRP [NH3+]C1(CNC(=O)C(=O)NCC2CC[NH+](C3CCOCC3)CC2)CCC1 ZINC000659723007 485252037 /nfs/dbraw/zinc/25/20/37/485252037.db2.gz JQPQZAWGDPVAQO-UHFFFAOYSA-N 2 0 352.479 -0.009 20 0 FBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)NCCC2=CC[NH2+]CC2)CCO1 ZINC000659723243 485253553 /nfs/dbraw/zinc/25/35/53/485253553.db2.gz IOWXAWIMUQWVHY-INIZCTEOSA-N 2 0 352.479 -0.018 20 0 FBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NCCC2=CC[NH2+]CC2)CCO1 ZINC000659723246 485254037 /nfs/dbraw/zinc/25/40/37/485254037.db2.gz IOWXAWIMUQWVHY-MRXNPFEDSA-N 2 0 352.479 -0.018 20 0 FBADRP O=C(NCC1CC[NH+](CC2CC2)CC1)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000659723324 485254130 /nfs/dbraw/zinc/25/41/30/485254130.db2.gz JEIRKZVQFDRNDO-INIZCTEOSA-N 2 0 352.479 -0.281 20 0 FBADRP O=C(NCC1CC[NH+](CC2CC2)CC1)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000659723327 485254075 /nfs/dbraw/zinc/25/40/75/485254075.db2.gz JEIRKZVQFDRNDO-MRXNPFEDSA-N 2 0 352.479 -0.281 20 0 FBADRP C[C@@]1(CNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CCC[NH2+]C1 ZINC000659724581 485253468 /nfs/dbraw/zinc/25/34/68/485253468.db2.gz RNGRQQLLUYKCSR-CRAIPNDOSA-N 2 0 352.479 -0.138 20 0 FBADRP C[C@@]1(CNC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CCC[NH2+]C1 ZINC000659724582 485253664 /nfs/dbraw/zinc/25/36/64/485253664.db2.gz RNGRQQLLUYKCSR-MAUKXSAKSA-N 2 0 352.479 -0.138 20 0 FBADRP C[C@]1(CNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CCC[NH2+]C1 ZINC000659724583 485253895 /nfs/dbraw/zinc/25/38/95/485253895.db2.gz RNGRQQLLUYKCSR-QAPCUYQASA-N 2 0 352.479 -0.138 20 0 FBADRP C[C@]1(CNC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CCC[NH2+]C1 ZINC000659724584 485254110 /nfs/dbraw/zinc/25/41/10/485254110.db2.gz RNGRQQLLUYKCSR-YJBOKZPZSA-N 2 0 352.479 -0.138 20 0 FBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)CCO1 ZINC000659725550 485253427 /nfs/dbraw/zinc/25/34/27/485253427.db2.gz XECWNLIQINWLOZ-CABCVRRESA-N 2 0 356.467 -0.950 20 0 FBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)CCO1 ZINC000659725551 485253734 /nfs/dbraw/zinc/25/37/34/485253734.db2.gz XECWNLIQINWLOZ-GJZGRUSLSA-N 2 0 356.467 -0.950 20 0 FBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)CCO1 ZINC000659725552 485253882 /nfs/dbraw/zinc/25/38/82/485253882.db2.gz XECWNLIQINWLOZ-HUUCEWRRSA-N 2 0 356.467 -0.950 20 0 FBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)CCO1 ZINC000659725553 485253485 /nfs/dbraw/zinc/25/34/85/485253485.db2.gz XECWNLIQINWLOZ-LSDHHAIUSA-N 2 0 356.467 -0.950 20 0 FBADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659726156 485254915 /nfs/dbraw/zinc/25/49/15/485254915.db2.gz ABUGKWMTXPZYIO-UHFFFAOYSA-N 2 0 352.439 -0.649 20 0 FBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)n1 ZINC000659727467 485254835 /nfs/dbraw/zinc/25/48/35/485254835.db2.gz PWSUIVDLGUJCBL-CHWSQXEVSA-N 2 0 362.434 -0.610 20 0 FBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)n1 ZINC000659727469 485254683 /nfs/dbraw/zinc/25/46/83/485254683.db2.gz PWSUIVDLGUJCBL-OLZOCXBDSA-N 2 0 362.434 -0.610 20 0 FBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)n1 ZINC000659727471 485254568 /nfs/dbraw/zinc/25/45/68/485254568.db2.gz PWSUIVDLGUJCBL-QWHCGFSZSA-N 2 0 362.434 -0.610 20 0 FBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)n1 ZINC000659727473 485254610 /nfs/dbraw/zinc/25/46/10/485254610.db2.gz PWSUIVDLGUJCBL-STQMWFEESA-N 2 0 362.434 -0.610 20 0 FBADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000659730559 485255551 /nfs/dbraw/zinc/25/55/51/485255551.db2.gz YJINRGQKFVLSKR-MSOLQXFVSA-N 2 0 374.485 -0.134 20 0 FBADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000659730560 485255777 /nfs/dbraw/zinc/25/57/77/485255777.db2.gz YJINRGQKFVLSKR-QZTJIDSGSA-N 2 0 374.485 -0.134 20 0 FBADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000659730681 485256051 /nfs/dbraw/zinc/25/60/51/485256051.db2.gz YJINRGQKFVLSKR-ROUUACIJSA-N 2 0 374.485 -0.134 20 0 FBADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000659730682 485255734 /nfs/dbraw/zinc/25/57/34/485255734.db2.gz YJINRGQKFVLSKR-ZWKOTPCHSA-N 2 0 374.485 -0.134 20 0 FBADRP [NH3+]C1(CNC(=O)C(=O)N[C@H]2CCNC2=O)CC[NH+](Cc2ccccc2)CC1 ZINC000659730753 485256178 /nfs/dbraw/zinc/25/61/78/485256178.db2.gz ZDINVGHEPMLNMA-HNNXBMFYSA-N 2 0 373.457 -0.899 20 0 FBADRP CN1CCC(CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)([NH+]2CCCCC2)CC1 ZINC000659731493 485255972 /nfs/dbraw/zinc/25/59/72/485255972.db2.gz KGSHIMARZMSMEZ-HNNXBMFYSA-N 2 0 351.495 -0.469 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)NCC2([NH3+])CCCC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000659732308 485256089 /nfs/dbraw/zinc/25/60/89/485256089.db2.gz LYDAXZUSCLCAQP-CVEARBPZSA-N 2 0 365.522 -0.142 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)NCC2([NH3+])CCCC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000659732310 485256367 /nfs/dbraw/zinc/25/63/67/485256367.db2.gz LYDAXZUSCLCAQP-HOTGVXAUSA-N 2 0 365.522 -0.142 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)NCC2([NH3+])CCCC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000659732311 485256316 /nfs/dbraw/zinc/25/63/16/485256316.db2.gz LYDAXZUSCLCAQP-HZPDHXFCSA-N 2 0 365.522 -0.142 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)NCC2([NH3+])CCCC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000659732312 485256212 /nfs/dbraw/zinc/25/62/12/485256212.db2.gz LYDAXZUSCLCAQP-JKSUJKDBSA-N 2 0 365.522 -0.142 20 0 FBADRP [NH3+]C1(CNC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CCCC1 ZINC000659732347 485255947 /nfs/dbraw/zinc/25/59/47/485255947.db2.gz IZOGIQMVBLQQBM-HNNXBMFYSA-N 2 0 352.479 -0.055 20 0 FBADRP [NH3+]C1(CNC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)CCCC1 ZINC000659732373 485256235 /nfs/dbraw/zinc/25/62/35/485256235.db2.gz MRAJEVRLHWBFBV-UHFFFAOYSA-N 2 0 352.479 -0.055 20 0 FBADRP CN1CC[NH+](CC2CCN(C(=O)C(=O)NCC3([NH3+])CCCC3)CC2)CC1 ZINC000659732397 485256065 /nfs/dbraw/zinc/25/60/65/485256065.db2.gz MVSVKUXESSCWOG-UHFFFAOYSA-N 2 0 365.522 -0.140 20 0 FBADRP [NH3+]C1(CNC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CCCC1 ZINC000659732518 485255543 /nfs/dbraw/zinc/25/55/43/485255543.db2.gz LNVZENRWGWKQTA-UHFFFAOYSA-N 2 0 365.478 -0.859 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659732549 485256350 /nfs/dbraw/zinc/25/63/50/485256350.db2.gz PWVXDSFCJOPEIK-UHFFFAOYSA-N 2 0 367.494 -0.613 20 0 FBADRP [NH3+]C1(CNC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)CCCC1 ZINC000659733250 485255933 /nfs/dbraw/zinc/25/59/33/485255933.db2.gz RQCYXAPSRJIKCP-UHFFFAOYSA-N 2 0 352.479 -0.055 20 0 FBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCC3([NH3+])CCCC3)CC2)C1 ZINC000659733595 485255706 /nfs/dbraw/zinc/25/57/06/485255706.db2.gz URPRGZMMCGPYKS-HNNXBMFYSA-N 2 0 351.495 -0.388 20 0 FBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCC3([NH3+])CCCC3)CC2)C1 ZINC000659733597 485255844 /nfs/dbraw/zinc/25/58/44/485255844.db2.gz URPRGZMMCGPYKS-OAHLLOKOSA-N 2 0 351.495 -0.388 20 0 FBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659733625 485255670 /nfs/dbraw/zinc/25/56/70/485255670.db2.gz VJBGTWCFLOKLIM-AWEZNQCLSA-N 2 0 365.478 -0.861 20 0 FBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659733627 485255521 /nfs/dbraw/zinc/25/55/21/485255521.db2.gz VJBGTWCFLOKLIM-CQSZACIVSA-N 2 0 365.478 -0.861 20 0 FBADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659733990 484550483 /nfs/dbraw/zinc/55/04/83/484550483.db2.gz HSYAFWRPWVUPRC-UHFFFAOYSA-N 2 0 353.511 -0.142 20 0 FBADRP [NH3+]C1(CNC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CCCC1 ZINC000659734024 485255507 /nfs/dbraw/zinc/25/55/07/485255507.db2.gz IZOGIQMVBLQQBM-OAHLLOKOSA-N 2 0 352.479 -0.055 20 0 FBADRP C[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C[C@H]1C[NH3+] ZINC000659738548 485256633 /nfs/dbraw/zinc/25/66/33/485256633.db2.gz GAXNCESRHGFYID-FMKPAKJESA-N 2 0 352.479 -0.201 20 0 FBADRP C[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C[C@H]1C[NH3+] ZINC000659738549 485257491 /nfs/dbraw/zinc/25/74/91/485257491.db2.gz GAXNCESRHGFYID-IIAWOOMASA-N 2 0 352.479 -0.201 20 0 FBADRP C[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C[C@@H]1C[NH3+] ZINC000659738550 485256829 /nfs/dbraw/zinc/25/68/29/485256829.db2.gz GAXNCESRHGFYID-IJEWVQPXSA-N 2 0 352.479 -0.201 20 0 FBADRP C[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C[C@@H]1C[NH3+] ZINC000659738552 485257295 /nfs/dbraw/zinc/25/72/95/485257295.db2.gz GAXNCESRHGFYID-YCPHGPKFSA-N 2 0 352.479 -0.201 20 0 FBADRP CC(C)[C@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC[NH2+]1 ZINC000659738603 485256838 /nfs/dbraw/zinc/25/68/38/485256838.db2.gz GTSAHMNVEIAJKH-HZPDHXFCSA-N 2 0 352.479 -0.188 20 0 FBADRP CC(C)[C@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC[NH2+]1 ZINC000659738605 485257053 /nfs/dbraw/zinc/25/70/53/485257053.db2.gz GTSAHMNVEIAJKH-JKSUJKDBSA-N 2 0 352.479 -0.188 20 0 FBADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000659738632 485256989 /nfs/dbraw/zinc/25/69/89/485256989.db2.gz HHMFSBAPAOSMQB-OWCLPIDISA-N 2 0 350.463 -0.291 20 0 FBADRP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000659738633 485256819 /nfs/dbraw/zinc/25/68/19/485256819.db2.gz HHMFSBAPAOSMQB-XHSDSOJGSA-N 2 0 350.463 -0.291 20 0 FBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659738695 485257928 /nfs/dbraw/zinc/25/79/28/485257928.db2.gz INIMGIJRZCIPAP-CVEARBPZSA-N 2 0 352.479 -0.044 20 0 FBADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659738696 485258210 /nfs/dbraw/zinc/25/82/10/485258210.db2.gz INIMGIJRZCIPAP-HOTGVXAUSA-N 2 0 352.479 -0.044 20 0 FBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659738697 485258244 /nfs/dbraw/zinc/25/82/44/485258244.db2.gz INIMGIJRZCIPAP-HZPDHXFCSA-N 2 0 352.479 -0.044 20 0 FBADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659738698 485258664 /nfs/dbraw/zinc/25/86/64/485258664.db2.gz INIMGIJRZCIPAP-JKSUJKDBSA-N 2 0 352.479 -0.044 20 0 FBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000659738892 485258199 /nfs/dbraw/zinc/25/81/99/485258199.db2.gz KBLSJHKKTICFNL-CABCVRRESA-N 2 0 367.494 -0.567 20 0 FBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000659738893 485258489 /nfs/dbraw/zinc/25/84/89/485258489.db2.gz KBLSJHKKTICFNL-GJZGRUSLSA-N 2 0 367.494 -0.567 20 0 FBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000659738894 485258560 /nfs/dbraw/zinc/25/85/60/485258560.db2.gz KBLSJHKKTICFNL-HUUCEWRRSA-N 2 0 367.494 -0.567 20 0 FBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000659738895 485257992 /nfs/dbraw/zinc/25/79/92/485257992.db2.gz KBLSJHKKTICFNL-LSDHHAIUSA-N 2 0 367.494 -0.567 20 0 FBADRP CCO[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C[C@H]1C[NH3+] ZINC000659739329 485258525 /nfs/dbraw/zinc/25/85/25/485258525.db2.gz REBUBYSRDPFJHC-FVQBIDKESA-N 2 0 368.478 -0.822 20 0 FBADRP CCO[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C[C@H]1C[NH3+] ZINC000659739355 485258109 /nfs/dbraw/zinc/25/81/09/485258109.db2.gz REBUBYSRDPFJHC-VNQPRFMTSA-N 2 0 368.478 -0.822 20 0 FBADRP C[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)[C@H](C[NH3+])C1 ZINC000659739403 485258187 /nfs/dbraw/zinc/25/81/87/485258187.db2.gz SYWXKUOVAMAYOE-BMFZPTHFSA-N 2 0 352.479 -0.058 20 0 FBADRP C[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)[C@H](C[NH3+])C1 ZINC000659739404 485258296 /nfs/dbraw/zinc/25/82/96/485258296.db2.gz SYWXKUOVAMAYOE-KBMXLJTQSA-N 2 0 352.479 -0.058 20 0 FBADRP C[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)[C@H]1C[NH3+] ZINC000659739446 485258152 /nfs/dbraw/zinc/25/81/52/485258152.db2.gz UPOMEFAZZQJETA-BMFZPTHFSA-N 2 0 352.479 -0.058 20 0 FBADRP C[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)[C@@H]1C[NH3+] ZINC000659739447 485257891 /nfs/dbraw/zinc/25/78/91/485257891.db2.gz UPOMEFAZZQJETA-FVQBIDKESA-N 2 0 352.479 -0.058 20 0 FBADRP C[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)[C@H]1C[NH3+] ZINC000659739448 485258056 /nfs/dbraw/zinc/25/80/56/485258056.db2.gz UPOMEFAZZQJETA-KBMXLJTQSA-N 2 0 352.479 -0.058 20 0 FBADRP C[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)[C@@H]1C[NH3+] ZINC000659739449 485258136 /nfs/dbraw/zinc/25/81/36/485258136.db2.gz UPOMEFAZZQJETA-VNQPRFMTSA-N 2 0 352.479 -0.058 20 0 FBADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NC3CC[NH+]([C@H]4CCOC4)CC3)C[C@@H]21 ZINC000659739530 485258552 /nfs/dbraw/zinc/25/85/52/485258552.db2.gz WUMJJBDGFOIPNG-BSWAZPDLSA-N 2 0 364.490 -0.058 20 0 FBADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NC3CC[NH+]([C@@H]4CCOC4)CC3)C[C@H]21 ZINC000659739531 485258416 /nfs/dbraw/zinc/25/84/16/485258416.db2.gz WUMJJBDGFOIPNG-MWQQHZPXSA-N 2 0 364.490 -0.058 20 0 FBADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NC3CC[NH+]([C@@H]4CCOC4)CC3)C[C@@H]21 ZINC000659739532 485257941 /nfs/dbraw/zinc/25/79/41/485257941.db2.gz WUMJJBDGFOIPNG-MXASKKJJSA-N 2 0 364.490 -0.058 20 0 FBADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NC3CC[NH+]([C@H]4CCOC4)CC3)C[C@H]21 ZINC000659739533 485257848 /nfs/dbraw/zinc/25/78/48/485257848.db2.gz WUMJJBDGFOIPNG-XLNGHYISSA-N 2 0 364.490 -0.058 20 0 FBADRP CCCN(C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)[C@@H]1CC[NH2+]C1 ZINC000659739703 485258102 /nfs/dbraw/zinc/25/81/02/485258102.db2.gz YITWJBJMMQJRFN-CVEARBPZSA-N 2 0 352.479 -0.044 20 0 FBADRP CCCN(C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)[C@H]1CC[NH2+]C1 ZINC000659739704 485257983 /nfs/dbraw/zinc/25/79/83/485257983.db2.gz YITWJBJMMQJRFN-HOTGVXAUSA-N 2 0 352.479 -0.044 20 0 FBADRP CCCN(C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)[C@@H]1CC[NH2+]C1 ZINC000659739705 485258447 /nfs/dbraw/zinc/25/84/47/485258447.db2.gz YITWJBJMMQJRFN-HZPDHXFCSA-N 2 0 352.479 -0.044 20 0 FBADRP CCCN(C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)[C@H]1CC[NH2+]C1 ZINC000659739706 485258366 /nfs/dbraw/zinc/25/83/66/485258366.db2.gz YITWJBJMMQJRFN-JKSUJKDBSA-N 2 0 352.479 -0.044 20 0 FBADRP CN(C(=O)C(=O)NCC12CC(C1)C[NH2+]2)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000659740061 485258679 /nfs/dbraw/zinc/25/86/79/485258679.db2.gz JVOMPADNMRFFKH-NLGTXKQRSA-N 3 0 363.506 -0.519 20 0 FBADRP CN(C(=O)C(=O)NCC12CC(C1)C[NH2+]2)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000659740062 485258605 /nfs/dbraw/zinc/25/86/05/485258605.db2.gz JVOMPADNMRFFKH-RCDNUKIMSA-N 3 0 363.506 -0.519 20 0 FBADRP O=C(NCC12CC(C1)C[NH2+]2)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000659740132 485257842 /nfs/dbraw/zinc/25/78/42/485257842.db2.gz LGYRLFHNHWZCAE-UHFFFAOYSA-N 2 0 364.490 -0.042 20 0 FBADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659740540 485259318 /nfs/dbraw/zinc/25/93/18/485259318.db2.gz CUGJIILTOQPVLH-VNSJNIRKSA-N 2 0 350.463 -0.434 20 0 FBADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659740541 485259124 /nfs/dbraw/zinc/25/91/24/485259124.db2.gz CUGJIILTOQPVLH-WRSVWVKZSA-N 2 0 350.463 -0.434 20 0 FBADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659740774 485259686 /nfs/dbraw/zinc/25/96/86/485259686.db2.gz PABJXOSYILSMIG-UHFFFAOYSA-N 2 0 351.495 -0.661 20 0 FBADRP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000659740982 485258959 /nfs/dbraw/zinc/25/89/59/485258959.db2.gz IFKHMLYTPVIAAH-MRXNPFEDSA-N 2 0 355.527 -0.040 20 0 FBADRP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000659741033 485259415 /nfs/dbraw/zinc/25/94/15/485259415.db2.gz JEYLTGPNORDAAB-BBWFWOEESA-N 2 0 367.538 -0.040 20 0 FBADRP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000659741036 485259090 /nfs/dbraw/zinc/25/90/90/485259090.db2.gz JEYLTGPNORDAAB-BRWVUGGUSA-N 2 0 367.538 -0.040 20 0 FBADRP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000659741038 485259569 /nfs/dbraw/zinc/25/95/69/485259569.db2.gz JEYLTGPNORDAAB-GVDBMIGSSA-N 2 0 367.538 -0.040 20 0 FBADRP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000659741040 485259066 /nfs/dbraw/zinc/25/90/66/485259066.db2.gz JEYLTGPNORDAAB-ZACQAIPSSA-N 2 0 367.538 -0.040 20 0 FBADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659741112 485259239 /nfs/dbraw/zinc/25/92/39/485259239.db2.gz LGKJCFQWAWPBFY-GFCCVEGCSA-N 2 0 364.450 -0.506 20 0 FBADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659741113 485258938 /nfs/dbraw/zinc/25/89/38/485258938.db2.gz LGKJCFQWAWPBFY-LBPRGKRZSA-N 2 0 364.450 -0.506 20 0 FBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659741189 485258918 /nfs/dbraw/zinc/25/89/18/485258918.db2.gz HFIVJWUUBAOZGQ-KOHRHEQBSA-N 2 0 363.506 -0.517 20 0 FBADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659741192 485259404 /nfs/dbraw/zinc/25/94/04/485259404.db2.gz HFIVJWUUBAOZGQ-WUJZJPHMSA-N 2 0 363.506 -0.517 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)NCC34CC(C3)C[NH2+]4)CC2)c1 ZINC000659741215 485259110 /nfs/dbraw/zinc/25/91/10/485259110.db2.gz RTWDZCRXEPNFHL-UHFFFAOYSA-N 2 0 359.430 -0.393 20 0 FBADRP C[NH+](C)CCCOC1CCN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659742378 485259542 /nfs/dbraw/zinc/25/95/42/485259542.db2.gz GGJUMNRAGPMDSM-UHFFFAOYSA-N 2 0 352.479 -0.186 20 0 FBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659743237 485260599 /nfs/dbraw/zinc/26/05/99/485260599.db2.gz LQFNCBYLCDQLNI-CSLYMUCUSA-N 2 0 352.479 -0.186 20 0 FBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659743239 485260080 /nfs/dbraw/zinc/26/00/80/485260080.db2.gz LQFNCBYLCDQLNI-SWKXRBFHSA-N 2 0 352.479 -0.186 20 0 FBADRP CN1CC[NH+](CC2CCN(C(=O)C(=O)NCC34CC(C3)C[NH2+]4)CC2)CC1 ZINC000659743338 485260002 /nfs/dbraw/zinc/26/00/02/485260002.db2.gz MJSFQCFOBNJFHR-UHFFFAOYSA-N 2 0 363.506 -0.659 20 0 FBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659744452 485260559 /nfs/dbraw/zinc/26/05/59/485260559.db2.gz WGUOJAHPQRWIHV-UHFFFAOYSA-N 2 0 359.430 -0.393 20 0 FBADRP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000659744476 485260220 /nfs/dbraw/zinc/26/02/20/485260220.db2.gz LMBMPXKBJUVYGQ-HZPDHXFCSA-N 2 0 353.511 -0.286 20 0 FBADRP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000659744478 485260105 /nfs/dbraw/zinc/26/01/05/485260105.db2.gz LMBMPXKBJUVYGQ-JKSUJKDBSA-N 2 0 353.511 -0.286 20 0 FBADRP O=C(NCC12CC(C1)C[NH2+]2)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000659744610 485259974 /nfs/dbraw/zinc/25/99/74/485259974.db2.gz YLCOCMDRTJIXJP-KSTDHSDQSA-N 2 0 350.463 -0.575 20 0 FBADRP O=C(NCC12CC(C1)C[NH2+]2)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000659744848 485260291 /nfs/dbraw/zinc/26/02/91/485260291.db2.gz MGVFRZYXESUDKS-UHFFFAOYSA-N 2 0 350.463 -0.575 20 0 FBADRP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000659745603 485260436 /nfs/dbraw/zinc/26/04/36/485260436.db2.gz BJLQTFGGEBPNMN-OAHLLOKOSA-N 2 0 367.494 -0.757 20 0 FBADRP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C(=O)N2CCC([NH3+])CC2)C1 ZINC000659745790 485260633 /nfs/dbraw/zinc/26/06/33/485260633.db2.gz DXCCFFBBKOMSLI-GOSISDBHSA-N 2 0 373.501 -0.132 20 0 FBADRP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C(=O)N2CCC([NH3+])CC2)C1 ZINC000659745791 485260409 /nfs/dbraw/zinc/26/04/09/485260409.db2.gz DXCCFFBBKOMSLI-SFHVURJKSA-N 2 0 373.501 -0.132 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2Cc2ccccc2)C[C@H]1[NH3+] ZINC000659745814 485260042 /nfs/dbraw/zinc/26/00/42/485260042.db2.gz FZBUVCUQIARULR-BPQIPLTHSA-N 2 0 373.501 -0.276 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2Cc2ccccc2)C[C@H]1[NH3+] ZINC000659745815 485259862 /nfs/dbraw/zinc/25/98/62/485259862.db2.gz FZBUVCUQIARULR-KBAYOESNSA-N 2 0 373.501 -0.276 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCC[C@@H]([NH3+])C(C)C)CC1 ZINC000659746016 485260535 /nfs/dbraw/zinc/26/05/35/485260535.db2.gz GPWCMSZDZIUMEV-OAHLLOKOSA-N 2 0 369.510 -0.511 20 0 FBADRP O=C(NCC12CC(C1)C[NH2+]2)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000659746024 485259882 /nfs/dbraw/zinc/25/98/82/485259882.db2.gz YCCCXWIUPIHLSO-UHFFFAOYSA-N 2 0 350.463 -0.575 20 0 FBADRP O=C(NCC12CC(C1)C[NH2+]2)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000659746040 485261582 /nfs/dbraw/zinc/26/15/82/485261582.db2.gz YLCOCMDRTJIXJP-SYJJWHGVSA-N 2 0 350.463 -0.575 20 0 FBADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000659746335 485262177 /nfs/dbraw/zinc/26/21/77/485262177.db2.gz KHGBXKWZZCGOSD-DOTOQJQBSA-N 2 0 361.490 -0.276 20 0 FBADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000659746336 485261224 /nfs/dbraw/zinc/26/12/24/485261224.db2.gz KHGBXKWZZCGOSD-NVXWUHKLSA-N 2 0 361.490 -0.276 20 0 FBADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000659746337 485261512 /nfs/dbraw/zinc/26/15/12/485261512.db2.gz KHGBXKWZZCGOSD-RDJZCZTQSA-N 2 0 361.490 -0.276 20 0 FBADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000659746338 485262095 /nfs/dbraw/zinc/26/20/95/485262095.db2.gz KHGBXKWZZCGOSD-WBVHZDCISA-N 2 0 361.490 -0.276 20 0 FBADRP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C(=O)N2CCC[NH2+]CC2)C1 ZINC000659746354 485261247 /nfs/dbraw/zinc/26/12/47/485261247.db2.gz KZDJRUYMLXOQTH-GOSISDBHSA-N 2 0 373.501 -0.259 20 0 FBADRP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C(=O)N2CCC[NH2+]CC2)C1 ZINC000659746355 485261756 /nfs/dbraw/zinc/26/17/56/485261756.db2.gz KZDJRUYMLXOQTH-SFHVURJKSA-N 2 0 373.501 -0.259 20 0 FBADRP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000659746456 485261122 /nfs/dbraw/zinc/26/11/22/485261122.db2.gz LHYKYNBSAUBLBL-CABCVRRESA-N 2 0 367.494 -0.759 20 0 FBADRP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000659746457 485261279 /nfs/dbraw/zinc/26/12/79/485261279.db2.gz LHYKYNBSAUBLBL-HUUCEWRRSA-N 2 0 367.494 -0.759 20 0 FBADRP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000659746548 485261078 /nfs/dbraw/zinc/26/10/78/485261078.db2.gz NXHWAPBFMAABBA-MSOLQXFVSA-N 2 0 373.501 -0.132 20 0 FBADRP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000659746549 485262367 /nfs/dbraw/zinc/26/23/67/485262367.db2.gz NXHWAPBFMAABBA-QZTJIDSGSA-N 2 0 373.501 -0.132 20 0 FBADRP CN(CCC[NH3+])C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000659746894 485260918 /nfs/dbraw/zinc/26/09/18/485260918.db2.gz SMBZZPRRKCVBBZ-KRWDZBQOSA-N 2 0 361.490 -0.274 20 0 FBADRP CN(CCC[NH3+])C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000659746895 485261833 /nfs/dbraw/zinc/26/18/33/485261833.db2.gz SMBZZPRRKCVBBZ-QGZVFWFLSA-N 2 0 361.490 -0.274 20 0 FBADRP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C(=O)N2CC[C@H]([NH3+])C2)C1 ZINC000659746953 485261137 /nfs/dbraw/zinc/26/11/37/485261137.db2.gz UFNDKSOZUKGZAE-DLBZAZTESA-N 2 0 359.474 -0.522 20 0 FBADRP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)C1 ZINC000659746955 485261492 /nfs/dbraw/zinc/26/14/92/485261492.db2.gz UFNDKSOZUKGZAE-IAGOWNOFSA-N 2 0 359.474 -0.522 20 0 FBADRP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C(=O)N2CC[C@H]([NH3+])C2)C1 ZINC000659746956 485261668 /nfs/dbraw/zinc/26/16/68/485261668.db2.gz UFNDKSOZUKGZAE-IRXDYDNUSA-N 2 0 359.474 -0.522 20 0 FBADRP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)C1 ZINC000659746957 485261535 /nfs/dbraw/zinc/26/15/35/485261535.db2.gz UFNDKSOZUKGZAE-SJORKVTESA-N 2 0 359.474 -0.522 20 0 FBADRP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000659747082 485261862 /nfs/dbraw/zinc/26/18/62/485261862.db2.gz VCXAKNJFJOKYNS-ROUUACIJSA-N 2 0 373.501 -0.132 20 0 FBADRP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000659747083 485262288 /nfs/dbraw/zinc/26/22/88/485262288.db2.gz VCXAKNJFJOKYNS-ZWKOTPCHSA-N 2 0 373.501 -0.132 20 0 FBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2Cc2ccccc2)C1 ZINC000659747145 485261802 /nfs/dbraw/zinc/26/18/02/485261802.db2.gz XGYWFFYXLPDGJZ-MSOLQXFVSA-N 2 0 373.501 -0.261 20 0 FBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2Cc2ccccc2)C1 ZINC000659747146 485260860 /nfs/dbraw/zinc/26/08/60/485260860.db2.gz XGYWFFYXLPDGJZ-QZTJIDSGSA-N 2 0 373.501 -0.261 20 0 FBADRP C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2Cc2ccccc2)C1 ZINC000659747147 485262058 /nfs/dbraw/zinc/26/20/58/485262058.db2.gz XGYWFFYXLPDGJZ-ROUUACIJSA-N 2 0 373.501 -0.261 20 0 FBADRP C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2Cc2ccccc2)C1 ZINC000659747148 485261164 /nfs/dbraw/zinc/26/11/64/485261164.db2.gz XGYWFFYXLPDGJZ-ZWKOTPCHSA-N 2 0 373.501 -0.261 20 0 FBADRP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000659747270 485261621 /nfs/dbraw/zinc/26/16/21/485261621.db2.gz WQPPKCXSKLEGEV-QGZVFWFLSA-N 2 0 367.538 -0.038 20 0 FBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000659747285 485262243 /nfs/dbraw/zinc/26/22/43/485262243.db2.gz ADJVXCQANQTXRO-UHFFFAOYSA-N 2 0 371.401 -0.999 20 0 FBADRP CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000659747332 485261266 /nfs/dbraw/zinc/26/12/66/485261266.db2.gz BPHPXFCGTFTHLI-UHFFFAOYSA-N 2 0 364.450 -0.410 20 0 FBADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659747339 485261424 /nfs/dbraw/zinc/26/14/24/485261424.db2.gz BXJIASXYYVKARS-UHFFFAOYSA-N 2 0 352.439 -0.553 20 0 FBADRP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C(=O)N2CC[C@H](C[NH3+])C2)C1 ZINC000659747367 485261635 /nfs/dbraw/zinc/26/16/35/485261635.db2.gz YQGDMXKDMFKXMN-MSOLQXFVSA-N 2 0 373.501 -0.274 20 0 FBADRP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C(=O)N2CC[C@H](C[NH3+])C2)C1 ZINC000659747368 485261741 /nfs/dbraw/zinc/26/17/41/485261741.db2.gz YQGDMXKDMFKXMN-QZTJIDSGSA-N 2 0 373.501 -0.274 20 0 FBADRP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)C1 ZINC000659747370 485261998 /nfs/dbraw/zinc/26/19/98/485261998.db2.gz YQGDMXKDMFKXMN-ROUUACIJSA-N 2 0 373.501 -0.274 20 0 FBADRP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)C1 ZINC000659747371 485261846 /nfs/dbraw/zinc/26/18/46/485261846.db2.gz YQGDMXKDMFKXMN-ZWKOTPCHSA-N 2 0 373.501 -0.274 20 0 FBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000659747405 485262195 /nfs/dbraw/zinc/26/21/95/485262195.db2.gz ZOENZWHDCPNEMY-DOTOQJQBSA-N 2 0 361.490 -0.357 20 0 FBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000659747406 485261695 /nfs/dbraw/zinc/26/16/95/485261695.db2.gz ZOENZWHDCPNEMY-NVXWUHKLSA-N 2 0 361.490 -0.357 20 0 FBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000659747407 485261818 /nfs/dbraw/zinc/26/18/18/485261818.db2.gz ZOENZWHDCPNEMY-RDJZCZTQSA-N 2 0 361.490 -0.357 20 0 FBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000659747408 485261731 /nfs/dbraw/zinc/26/17/31/485261731.db2.gz ZOENZWHDCPNEMY-WBVHZDCISA-N 2 0 361.490 -0.357 20 0 FBADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000659747610 485262346 /nfs/dbraw/zinc/26/23/46/485262346.db2.gz GFXNJZVKVSZIDJ-UHFFFAOYSA-N 2 0 364.450 -0.410 20 0 FBADRP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659747627 485262340 /nfs/dbraw/zinc/26/23/40/485262340.db2.gz GWWMKOCLBSDLQX-RYUDHWBXSA-N 2 0 364.450 -0.364 20 0 FBADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659747628 485261775 /nfs/dbraw/zinc/26/17/75/485261775.db2.gz GWWMKOCLBSDLQX-TXEJJXNPSA-N 2 0 364.450 -0.364 20 0 FBADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659747629 485262143 /nfs/dbraw/zinc/26/21/43/485262143.db2.gz GWWMKOCLBSDLQX-VXGBXAGGSA-N 2 0 364.450 -0.364 20 0 FBADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659747676 485262150 /nfs/dbraw/zinc/26/21/50/485262150.db2.gz HUFBUZROLVQVHM-CYBMUJFWSA-N 2 0 364.450 -0.410 20 0 FBADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659747703 485261297 /nfs/dbraw/zinc/26/12/97/485261297.db2.gz HUFBUZROLVQVHM-ZDUSSCGKSA-N 2 0 364.450 -0.410 20 0 FBADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000659747704 485261180 /nfs/dbraw/zinc/26/11/80/485261180.db2.gz HYEUTGIJDAFPMT-UHFFFAOYSA-N 2 0 350.423 -0.800 20 0 FBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)n1 ZINC000659747753 485261455 /nfs/dbraw/zinc/26/14/55/485261455.db2.gz IVFAYTKCPJNJFN-CYBMUJFWSA-N 2 0 362.434 -0.656 20 0 FBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)n1 ZINC000659747754 485262252 /nfs/dbraw/zinc/26/22/52/485262252.db2.gz IVFAYTKCPJNJFN-ZDUSSCGKSA-N 2 0 362.434 -0.656 20 0 FBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)n1 ZINC000659747912 485263576 /nfs/dbraw/zinc/26/35/76/485263576.db2.gz ANZQRKYMYQNTOK-CYBMUJFWSA-N 2 0 362.434 -0.656 20 0 FBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)n1 ZINC000659747913 485263520 /nfs/dbraw/zinc/26/35/20/485263520.db2.gz ANZQRKYMYQNTOK-ZDUSSCGKSA-N 2 0 362.434 -0.656 20 0 FBADRP C[C@@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)[N@@H+]1CCC[C@@H](C)C1 ZINC000659747968 485262923 /nfs/dbraw/zinc/26/29/23/485262923.db2.gz BOWVHZKTLVFCEM-NEPJUHHUSA-N 2 0 364.450 -0.506 20 0 FBADRP C[C@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)[N@@H+]1CCC[C@H](C)C1 ZINC000659747970 485263613 /nfs/dbraw/zinc/26/36/13/485263613.db2.gz BOWVHZKTLVFCEM-NWDGAFQWSA-N 2 0 364.450 -0.506 20 0 FBADRP C[C@@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)[N@@H+]1CCC[C@H](C)C1 ZINC000659747972 485263801 /nfs/dbraw/zinc/26/38/01/485263801.db2.gz BOWVHZKTLVFCEM-RYUDHWBXSA-N 2 0 364.450 -0.506 20 0 FBADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659747973 485263515 /nfs/dbraw/zinc/26/35/15/485263515.db2.gz LXRWKBNXNKGLGN-UHFFFAOYSA-N 2 0 350.423 -0.799 20 0 FBADRP C[C@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)[N@@H+]1CCC[C@@H](C)C1 ZINC000659747974 485263601 /nfs/dbraw/zinc/26/36/01/485263601.db2.gz BOWVHZKTLVFCEM-VXGBXAGGSA-N 2 0 364.450 -0.506 20 0 FBADRP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)NCc3nc(C[NH3+])cc(=O)[nH]3)CC[C@@H]21 ZINC000659747989 485262856 /nfs/dbraw/zinc/26/28/56/485262856.db2.gz CAOBDAXNQJPXLE-AAEUAGOBSA-N 2 0 362.434 -0.800 20 0 FBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCc3nc(C[NH3+])cc(=O)[nH]3)CC[C@H]21 ZINC000659747990 485262971 /nfs/dbraw/zinc/26/29/71/485262971.db2.gz CAOBDAXNQJPXLE-DGCLKSJQSA-N 2 0 362.434 -0.800 20 0 FBADRP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)NCc3nc(C[NH3+])cc(=O)[nH]3)CC[C@H]21 ZINC000659747992 485263141 /nfs/dbraw/zinc/26/31/41/485263141.db2.gz CAOBDAXNQJPXLE-WCQYABFASA-N 2 0 362.434 -0.800 20 0 FBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCc3nc(C[NH3+])cc(=O)[nH]3)CC[C@@H]21 ZINC000659747993 485262758 /nfs/dbraw/zinc/26/27/58/485262758.db2.gz CAOBDAXNQJPXLE-YPMHNXCESA-N 2 0 362.434 -0.800 20 0 FBADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659747994 485263004 /nfs/dbraw/zinc/26/30/04/485263004.db2.gz MCJUXINGIJAGBX-UHFFFAOYSA-N 2 0 352.439 -0.697 20 0 FBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)n1 ZINC000659748025 485262894 /nfs/dbraw/zinc/26/28/94/485262894.db2.gz CHZKFSONLFCPLV-CYBMUJFWSA-N 2 0 362.434 -0.656 20 0 FBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)n1 ZINC000659748026 485263113 /nfs/dbraw/zinc/26/31/13/485263113.db2.gz CHZKFSONLFCPLV-ZDUSSCGKSA-N 2 0 362.434 -0.656 20 0 FBADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659748236 485263227 /nfs/dbraw/zinc/26/32/27/485263227.db2.gz QKFBXIAEUZDLHQ-UHFFFAOYSA-N 2 0 350.423 -0.800 20 0 FBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659748269 485263430 /nfs/dbraw/zinc/26/34/30/485263430.db2.gz RQZRXYPRPDLBFQ-GFCCVEGCSA-N 2 0 350.423 -0.800 20 0 FBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659748270 485263620 /nfs/dbraw/zinc/26/36/20/485263620.db2.gz RQZRXYPRPDLBFQ-LBPRGKRZSA-N 2 0 350.423 -0.800 20 0 FBADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659748271 485263402 /nfs/dbraw/zinc/26/34/02/485263402.db2.gz RRPIQOACVCPKJN-JTQLQIEISA-N 2 0 350.423 -0.754 20 0 FBADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659748272 485263551 /nfs/dbraw/zinc/26/35/51/485263551.db2.gz RRPIQOACVCPKJN-SNVBAGLBSA-N 2 0 350.423 -0.754 20 0 FBADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659748368 485262833 /nfs/dbraw/zinc/26/28/33/485262833.db2.gz UPZJOLZEAMLJDV-GFCCVEGCSA-N 2 0 364.450 -0.553 20 0 FBADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659748370 485262746 /nfs/dbraw/zinc/26/27/46/485262746.db2.gz UPZJOLZEAMLJDV-LBPRGKRZSA-N 2 0 364.450 -0.553 20 0 FBADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659748459 485262847 /nfs/dbraw/zinc/26/28/47/485262847.db2.gz WIJPQTHGANZORJ-OLZOCXBDSA-N 2 0 362.434 -0.658 20 0 FBADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659748566 485262899 /nfs/dbraw/zinc/26/28/99/485262899.db2.gz XOYDBKKAQFAHGB-UHFFFAOYSA-N 2 0 364.450 -0.409 20 0 FBADRP C[NH+](C)CCC1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000659748841 485263734 /nfs/dbraw/zinc/26/37/34/485263734.db2.gz MUOVWSWDALHLML-UHFFFAOYSA-N 2 0 364.450 -0.553 20 0 FBADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659748900 485264564 /nfs/dbraw/zinc/26/45/64/485264564.db2.gz OQTQHHIPEPSFMW-AAEUAGOBSA-N 2 0 362.434 -0.800 20 0 FBADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659748901 485264786 /nfs/dbraw/zinc/26/47/86/485264786.db2.gz OQTQHHIPEPSFMW-DGCLKSJQSA-N 2 0 362.434 -0.800 20 0 FBADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659748902 485264673 /nfs/dbraw/zinc/26/46/73/485264673.db2.gz OQTQHHIPEPSFMW-WCQYABFASA-N 2 0 362.434 -0.800 20 0 FBADRP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659748903 485264845 /nfs/dbraw/zinc/26/48/45/485264845.db2.gz OQTQHHIPEPSFMW-YPMHNXCESA-N 2 0 362.434 -0.800 20 0 FBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)n1 ZINC000659748918 485264743 /nfs/dbraw/zinc/26/47/43/485264743.db2.gz PFUUKNDHNSYPDB-UHFFFAOYSA-N 2 0 362.434 -0.656 20 0 FBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000659748991 485264590 /nfs/dbraw/zinc/26/45/90/485264590.db2.gz CYSNKXHSKKPKFG-HNNXBMFYSA-N 2 0 353.511 -0.273 20 0 FBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000659748992 485264477 /nfs/dbraw/zinc/26/44/77/485264477.db2.gz CYSNKXHSKKPKFG-OAHLLOKOSA-N 2 0 353.511 -0.273 20 0 FBADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659749034 485264317 /nfs/dbraw/zinc/26/43/17/485264317.db2.gz PXEFVLKAKZWCKS-LLVKDONJSA-N 2 0 350.423 -0.754 20 0 FBADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659749035 485265008 /nfs/dbraw/zinc/26/50/08/485265008.db2.gz PXEFVLKAKZWCKS-NSHDSACASA-N 2 0 350.423 -0.754 20 0 FBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC000659749195 485264814 /nfs/dbraw/zinc/26/48/14/485264814.db2.gz FRHGGUJCCADAFL-HNNXBMFYSA-N 2 0 353.511 -0.273 20 0 FBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC000659749196 485264985 /nfs/dbraw/zinc/26/49/85/485264985.db2.gz FRHGGUJCCADAFL-OAHLLOKOSA-N 2 0 353.511 -0.273 20 0 FBADRP C[C@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)C[NH+]1CCCCC1 ZINC000659749281 485264422 /nfs/dbraw/zinc/26/44/22/485264422.db2.gz UTCYTHXJCJGXTA-GFCCVEGCSA-N 2 0 364.450 -0.505 20 0 FBADRP C[C@@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)C[NH+]1CCCCC1 ZINC000659749282 485264692 /nfs/dbraw/zinc/26/46/92/485264692.db2.gz UTCYTHXJCJGXTA-LBPRGKRZSA-N 2 0 364.450 -0.505 20 0 FBADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659749292 485264730 /nfs/dbraw/zinc/26/47/30/485264730.db2.gz VCIKOZXRTRCBGC-GFCCVEGCSA-N 2 0 350.423 -0.802 20 0 FBADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659749294 485264736 /nfs/dbraw/zinc/26/47/36/485264736.db2.gz VCIKOZXRTRCBGC-LBPRGKRZSA-N 2 0 350.423 -0.802 20 0 FBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000659751840 485264767 /nfs/dbraw/zinc/26/47/67/485264767.db2.gz JSTTYVDIEPBJAR-HNNXBMFYSA-N 2 0 353.511 -0.413 20 0 FBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000659751846 485264638 /nfs/dbraw/zinc/26/46/38/485264638.db2.gz JSTTYVDIEPBJAR-OAHLLOKOSA-N 2 0 353.511 -0.413 20 0 FBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000659751949 485264612 /nfs/dbraw/zinc/26/46/12/485264612.db2.gz KEKDAWCPCRARHW-ARFHVFGLSA-N 2 0 353.511 -0.273 20 0 FBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000659751952 485264455 /nfs/dbraw/zinc/26/44/55/485264455.db2.gz KEKDAWCPCRARHW-HRCADAONSA-N 2 0 353.511 -0.273 20 0 FBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000659751953 485264493 /nfs/dbraw/zinc/26/44/93/485264493.db2.gz KEKDAWCPCRARHW-JYJNAYRXSA-N 2 0 353.511 -0.273 20 0 FBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000659751958 485264776 /nfs/dbraw/zinc/26/47/76/485264776.db2.gz KEKDAWCPCRARHW-OAGGEKHMSA-N 2 0 353.511 -0.273 20 0 FBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000659751963 485264604 /nfs/dbraw/zinc/26/46/04/485264604.db2.gz KEXWDUXWRCIQOQ-JZWPEALZSA-N 2 0 351.495 -0.520 20 0 FBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000659751968 485264708 /nfs/dbraw/zinc/26/47/08/485264708.db2.gz KEXWDUXWRCIQOQ-LSVZVQIISA-N 2 0 351.495 -0.520 20 0 FBADRP CN1CCN(C(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)[C@@H](C[NH3+])C1 ZINC000659753946 485265878 /nfs/dbraw/zinc/26/58/78/485265878.db2.gz BWXAZJCKNGQABB-INIZCTEOSA-N 2 0 351.495 -0.674 20 0 FBADRP CN1CCN(C(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)[C@H](C[NH3+])C1 ZINC000659753948 485265401 /nfs/dbraw/zinc/26/54/01/485265401.db2.gz BWXAZJCKNGQABB-MRXNPFEDSA-N 2 0 351.495 -0.674 20 0 FBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000659754203 485265751 /nfs/dbraw/zinc/26/57/51/485265751.db2.gz TWQKXEIZMMDCQP-HNNXBMFYSA-N 2 0 353.511 -0.223 20 0 FBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000659754205 485265702 /nfs/dbraw/zinc/26/57/02/485265702.db2.gz TWQKXEIZMMDCQP-OAHLLOKOSA-N 2 0 353.511 -0.223 20 0 FBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)CCO1 ZINC000659754277 485265865 /nfs/dbraw/zinc/26/58/65/485265865.db2.gz DCTPUSKNGYNAST-BBRMVZONSA-N 2 0 352.479 -0.201 20 0 FBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)CCO1 ZINC000659754278 485265470 /nfs/dbraw/zinc/26/54/70/485265470.db2.gz DCTPUSKNGYNAST-CJNGLKHVSA-N 2 0 352.479 -0.201 20 0 FBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)CCO1 ZINC000659754279 485265552 /nfs/dbraw/zinc/26/55/52/485265552.db2.gz DCTPUSKNGYNAST-CZUORRHYSA-N 2 0 352.479 -0.201 20 0 FBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)CCO1 ZINC000659754280 485265581 /nfs/dbraw/zinc/26/55/81/485265581.db2.gz DCTPUSKNGYNAST-XJKSGUPXSA-N 2 0 352.479 -0.201 20 0 FBADRP [NH3+]C[C@H]1CN(C(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)CCCO1 ZINC000659754309 485265685 /nfs/dbraw/zinc/26/56/85/485265685.db2.gz DQBVQJAMCFKGCZ-INIZCTEOSA-N 2 0 352.479 -0.199 20 0 FBADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)CCCO1 ZINC000659754310 485265557 /nfs/dbraw/zinc/26/55/57/485265557.db2.gz DQBVQJAMCFKGCZ-MRXNPFEDSA-N 2 0 352.479 -0.199 20 0 FBADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CCN(CCO)C(C)(C)C1 ZINC000660269639 484098129 /nfs/dbraw/zinc/09/81/29/484098129.db2.gz JVXSQLVAGHDFGJ-CABCVRRESA-N 2 0 354.495 -0.300 20 0 FBADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CCN(CCO)C(C)(C)C1 ZINC000660269640 484098462 /nfs/dbraw/zinc/09/84/62/484098462.db2.gz JVXSQLVAGHDFGJ-GJZGRUSLSA-N 2 0 354.495 -0.300 20 0 FBADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1CCN(CCO)C(C)(C)C1 ZINC000660269641 484098506 /nfs/dbraw/zinc/09/85/06/484098506.db2.gz JVXSQLVAGHDFGJ-HUUCEWRRSA-N 2 0 354.495 -0.300 20 0 FBADRP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)[NH+](C)C1 ZINC000660270586 485282186 /nfs/dbraw/zinc/28/21/86/485282186.db2.gz DQYFGYYQJPOIQE-UGUYLWEFSA-N 2 0 352.479 -0.141 20 0 FBADRP O[C@H](C[NH+]1CC[C@@H](Cn2ccnn2)C1)C[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000661143155 485305243 /nfs/dbraw/zinc/30/52/43/485305243.db2.gz BQKLEQWJKUYJGJ-BJWYYQGGSA-N 2 0 360.466 -0.426 20 0 FBADRP OC(C[NH+]1CC[C@H](Cn2ccnn2)C1)C[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000661143157 485305666 /nfs/dbraw/zinc/30/56/66/485305666.db2.gz BQKLEQWJKUYJGJ-HOTGVXAUSA-N 2 0 360.466 -0.426 20 0 FBADRP OC(C[NH+]1CC[C@@H](Cn2ccnn2)C1)C[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000661143159 485305592 /nfs/dbraw/zinc/30/55/92/485305592.db2.gz BQKLEQWJKUYJGJ-HZPDHXFCSA-N 2 0 360.466 -0.426 20 0 FBADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000661232656 485308795 /nfs/dbraw/zinc/30/87/95/485308795.db2.gz FYEYOFZUQWZTCM-OWCLPIDISA-N 2 0 352.479 -0.139 20 0 FBADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000661232658 485308723 /nfs/dbraw/zinc/30/87/23/485308723.db2.gz FYEYOFZUQWZTCM-PMPSAXMXSA-N 2 0 352.479 -0.139 20 0 FBADRP C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)N1CCN(C2CC2)CC1 ZINC000661277371 485309881 /nfs/dbraw/zinc/30/98/81/485309881.db2.gz VYDPGNYTQDLDAH-AWEZNQCLSA-N 2 0 352.479 -0.403 20 0 FBADRP C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)N1CCN(C2CC2)CC1 ZINC000661277373 485309190 /nfs/dbraw/zinc/30/91/90/485309190.db2.gz VYDPGNYTQDLDAH-CQSZACIVSA-N 2 0 352.479 -0.403 20 0 FBADRP CN(CC1C[NH+](C)C1)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000661313375 484061546 /nfs/dbraw/zinc/06/15/46/484061546.db2.gz WKXRANLUDRIQDP-UHFFFAOYSA-N 2 0 353.511 -0.014 20 0 FBADRP CO[C@]1(CO)CCC[N@H+](CCOCC[NH+]2CCC[C@](CO)(OC)C2)C1 ZINC000661391487 485312833 /nfs/dbraw/zinc/31/28/33/485312833.db2.gz GECJMYLNNSXBNX-HDICACEKSA-N 2 0 360.495 -0.050 20 0 FBADRP CO[C@]1(CO)CCC[NH+](CCOCC[N@H+]2CCC[C@@](CO)(OC)C2)C1 ZINC000661391488 485312643 /nfs/dbraw/zinc/31/26/43/485312643.db2.gz GECJMYLNNSXBNX-QZTJIDSGSA-N 2 0 360.495 -0.050 20 0 FBADRP CO[C@@]1(CO)CCC[NH+](CCOCC[N@H+]2CCC[C@](CO)(OC)C2)C1 ZINC000661391489 485313098 /nfs/dbraw/zinc/31/30/98/485313098.db2.gz GECJMYLNNSXBNX-ROUUACIJSA-N 2 0 360.495 -0.050 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH2+]C2(C(N)=O)CCOCC2)C1 ZINC000661594477 485317416 /nfs/dbraw/zinc/31/74/16/485317416.db2.gz OOFMWIIYBUHPPO-AWEZNQCLSA-N 2 0 356.467 -0.917 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+]C2(C(N)=O)CCOCC2)C1 ZINC000661594478 485317580 /nfs/dbraw/zinc/31/75/80/485317580.db2.gz OOFMWIIYBUHPPO-CQSZACIVSA-N 2 0 356.467 -0.917 20 0 FBADRP C[NH+](C)CCN1CCN(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1=O ZINC000661984159 485327782 /nfs/dbraw/zinc/32/77/82/485327782.db2.gz PCZPBIIUZIVGJK-INIZCTEOSA-N 2 0 367.494 -0.345 20 0 FBADRP C[NH+](C)CCN1CCN(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1=O ZINC000661984161 485327942 /nfs/dbraw/zinc/32/79/42/485327942.db2.gz PCZPBIIUZIVGJK-MRXNPFEDSA-N 2 0 367.494 -0.345 20 0 FBADRP CNS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000662242727 485332830 /nfs/dbraw/zinc/33/28/30/485332830.db2.gz HLUZHBKIGGIALP-AWEZNQCLSA-N 2 0 354.476 -0.118 20 0 FBADRP CNS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000662242728 485333054 /nfs/dbraw/zinc/33/30/54/485333054.db2.gz HLUZHBKIGGIALP-CQSZACIVSA-N 2 0 354.476 -0.118 20 0 FBADRP O=S(=O)([C@H]1CCC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1)N1CCOCC1 ZINC000662278737 485334272 /nfs/dbraw/zinc/33/42/72/485334272.db2.gz LTCVXWREVMYHOZ-CABCVRRESA-N 2 0 359.492 -0.366 20 0 FBADRP O=S(=O)([C@H]1CCC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1)N1CCOCC1 ZINC000662278738 485334647 /nfs/dbraw/zinc/33/46/47/485334647.db2.gz LTCVXWREVMYHOZ-GJZGRUSLSA-N 2 0 359.492 -0.366 20 0 FBADRP O=S(=O)([C@@H]1CCC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1)N1CCOCC1 ZINC000662278739 485334174 /nfs/dbraw/zinc/33/41/74/485334174.db2.gz LTCVXWREVMYHOZ-HUUCEWRRSA-N 2 0 359.492 -0.366 20 0 FBADRP O=S(=O)([C@@H]1CCC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1)N1CCOCC1 ZINC000662278740 485334838 /nfs/dbraw/zinc/33/48/38/485334838.db2.gz LTCVXWREVMYHOZ-LSDHHAIUSA-N 2 0 359.492 -0.366 20 0 FBADRP O=C(CNC1(CO)CC[NH2+]CC1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000662287228 485334894 /nfs/dbraw/zinc/33/48/94/485334894.db2.gz VQUPDYPABHDQQJ-UHFFFAOYSA-N 2 0 368.522 -0.158 20 0 FBADRP Cn1c(N)c(C(=O)C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c(=O)n(C)c1=O ZINC000662293090 485335444 /nfs/dbraw/zinc/33/54/44/485335444.db2.gz JQKTWQWXLXBZBL-CYBMUJFWSA-N 2 0 363.462 -0.440 20 0 FBADRP Cn1c(N)c(C(=O)C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c(=O)n(C)c1=O ZINC000662293093 485335570 /nfs/dbraw/zinc/33/55/70/485335570.db2.gz JQKTWQWXLXBZBL-ZDUSSCGKSA-N 2 0 363.462 -0.440 20 0 FBADRP O=C(CC[N@@H+]1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1)N1CC[NH2+]CC1 ZINC000662297703 485335247 /nfs/dbraw/zinc/33/52/47/485335247.db2.gz ISTNDGMPPPJBHU-CALCHBBNSA-N 2 0 370.453 -0.075 20 0 FBADRP C[C@@H]1CCC[N@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)[C@@H]1CCC[NH3+] ZINC000662314381 485336701 /nfs/dbraw/zinc/33/67/01/485336701.db2.gz CHYZWAFPJYQUEV-VXGBXAGGSA-N 2 0 351.451 -0.312 20 0 FBADRP NS(=O)(=O)c1ccc(CCNC(=O)CCN2CC[C@@H](F)[C@H]([NH3+])C2)cc1 ZINC000662321689 485336260 /nfs/dbraw/zinc/33/62/60/485336260.db2.gz PBGPCDJOJVDDOX-HUUCEWRRSA-N 2 0 372.466 -0.246 20 0 FBADRP O=C1CNC(=O)N1CC[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662337974 485336687 /nfs/dbraw/zinc/33/66/87/485336687.db2.gz OMRZSMQSYDZYBJ-CYBMUJFWSA-N 2 0 361.450 -0.450 20 0 FBADRP O=C1CNC(=O)N1CC[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662337976 485336305 /nfs/dbraw/zinc/33/63/05/485336305.db2.gz OMRZSMQSYDZYBJ-ZDUSSCGKSA-N 2 0 361.450 -0.450 20 0 FBADRP CNS(=O)(=O)CCC[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662338440 485336653 /nfs/dbraw/zinc/33/66/53/485336653.db2.gz RHHJPFLZLHXKRY-AWEZNQCLSA-N 2 0 370.523 -0.062 20 0 FBADRP CNS(=O)(=O)CCC[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662338441 485336498 /nfs/dbraw/zinc/33/64/98/485336498.db2.gz RHHJPFLZLHXKRY-CQSZACIVSA-N 2 0 370.523 -0.062 20 0 FBADRP CC[NH+]1CCN(c2ccc(CNC(=O)c3cn(CC[NH3+])nn3)cn2)CC1 ZINC000662387832 485337314 /nfs/dbraw/zinc/33/73/14/485337314.db2.gz XAKPMCCFXBNFQX-UHFFFAOYSA-N 2 0 358.450 -0.296 20 0 FBADRP O=C(c1c[nH]nc1[C@H]1CC[NH2+]C1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000662401423 485337753 /nfs/dbraw/zinc/33/77/53/485337753.db2.gz NAWILFKERGKLBU-KBPBESRZSA-N 2 0 360.462 -0.229 20 0 FBADRP O=C(c1c[nH]nc1[C@@H]1CC[NH2+]C1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000662401424 485338040 /nfs/dbraw/zinc/33/80/40/485338040.db2.gz NAWILFKERGKLBU-KGLIPLIRSA-N 2 0 360.462 -0.229 20 0 FBADRP O=C(c1c[nH]nc1[C@H]1CC[NH2+]C1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000662401425 485337821 /nfs/dbraw/zinc/33/78/21/485337821.db2.gz NAWILFKERGKLBU-UONOGXRCSA-N 2 0 360.462 -0.229 20 0 FBADRP O=C(c1c[nH]nc1[C@@H]1CC[NH2+]C1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000662401426 485337994 /nfs/dbraw/zinc/33/79/94/485337994.db2.gz NAWILFKERGKLBU-ZIAGYGMSSA-N 2 0 360.462 -0.229 20 0 FBADRP [NH3+]CCn1cc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)nn1 ZINC000662427328 485337911 /nfs/dbraw/zinc/33/79/11/485337911.db2.gz GAWSTGVYGUJISB-UHFFFAOYSA-N 3 0 358.450 -0.426 20 0 FBADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)CC1 ZINC000662444293 485338991 /nfs/dbraw/zinc/33/89/91/485338991.db2.gz HPYGCVBMIDRILH-AWEZNQCLSA-N 2 0 360.462 -0.133 20 0 FBADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)CC1 ZINC000662444297 485338720 /nfs/dbraw/zinc/33/87/20/485338720.db2.gz HPYGCVBMIDRILH-CQSZACIVSA-N 2 0 360.462 -0.133 20 0 FBADRP [NH3+]CCn1cc(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)nn1 ZINC000662446596 485339061 /nfs/dbraw/zinc/33/90/61/485339061.db2.gz YCNSEUACPIIDPH-UHFFFAOYSA-N 2 0 373.465 -0.641 20 0 FBADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)c2cn(CC[NH3+])nn2)CC1 ZINC000662492004 485339554 /nfs/dbraw/zinc/33/95/54/485339554.db2.gz CPUQMHHABOSUMU-UHFFFAOYSA-N 2 0 365.482 -0.407 20 0 FBADRP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)c2cn(CC[NH3+])nn2)cc1 ZINC000662529455 485339978 /nfs/dbraw/zinc/33/99/78/485339978.db2.gz XGAXAAFVGFFFCA-UHFFFAOYSA-N 2 0 359.434 -0.542 20 0 FBADRP [NH3+]CCn1cc(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000662577656 483904983 /nfs/dbraw/zinc/90/49/83/483904983.db2.gz YFLJQKMYKOPLLH-UHFFFAOYSA-N 3 0 357.462 -0.040 20 0 FBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000662660351 483906461 /nfs/dbraw/zinc/90/64/61/483906461.db2.gz USIBLVVBWOVZLM-HNNXBMFYSA-N 2 0 350.467 -0.100 20 0 FBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000662660352 483906400 /nfs/dbraw/zinc/90/64/00/483906400.db2.gz USIBLVVBWOVZLM-OAHLLOKOSA-N 2 0 350.467 -0.100 20 0 FBADRP O=C(N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1)C1(O)C[NH2+]C1 ZINC000662754696 483912099 /nfs/dbraw/zinc/91/20/99/483912099.db2.gz AERCCDHMABLGRL-INIZCTEOSA-N 2 0 359.474 -0.224 20 0 FBADRP O=C(N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1)C1(O)C[NH2+]C1 ZINC000662754697 483912348 /nfs/dbraw/zinc/91/23/48/483912348.db2.gz AERCCDHMABLGRL-MRXNPFEDSA-N 2 0 359.474 -0.224 20 0 FBADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000662756357 483911485 /nfs/dbraw/zinc/91/14/85/483911485.db2.gz DYRKMLYETQEDGO-CVEARBPZSA-N 2 0 362.478 -0.141 20 0 FBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000662756358 483912470 /nfs/dbraw/zinc/91/24/70/483912470.db2.gz DYRKMLYETQEDGO-HOTGVXAUSA-N 2 0 362.478 -0.141 20 0 FBADRP [NH3+]C[C@H]1OCC[C@H]1C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000662756359 483912441 /nfs/dbraw/zinc/91/24/41/483912441.db2.gz DYRKMLYETQEDGO-HZPDHXFCSA-N 2 0 362.478 -0.141 20 0 FBADRP [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000662756360 483911708 /nfs/dbraw/zinc/91/17/08/483911708.db2.gz DYRKMLYETQEDGO-JKSUJKDBSA-N 2 0 362.478 -0.141 20 0 FBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000662833190 483914713 /nfs/dbraw/zinc/91/47/13/483914713.db2.gz NEFOKUVSOKJMKG-CVEARBPZSA-N 2 0 352.479 -0.042 20 0 FBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000662833191 483914820 /nfs/dbraw/zinc/91/48/20/483914820.db2.gz NEFOKUVSOKJMKG-HOTGVXAUSA-N 2 0 352.479 -0.042 20 0 FBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000662833192 483915096 /nfs/dbraw/zinc/91/50/96/483915096.db2.gz NEFOKUVSOKJMKG-HZPDHXFCSA-N 2 0 352.479 -0.042 20 0 FBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000662833193 483914510 /nfs/dbraw/zinc/91/45/10/483914510.db2.gz NEFOKUVSOKJMKG-JKSUJKDBSA-N 2 0 352.479 -0.042 20 0 FBADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000662857585 483915703 /nfs/dbraw/zinc/91/57/03/483915703.db2.gz BKLUPHDGPVQIIK-DLBZAZTESA-N 2 0 360.458 -0.262 20 0 FBADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000662857586 483916268 /nfs/dbraw/zinc/91/62/68/483916268.db2.gz BKLUPHDGPVQIIK-IAGOWNOFSA-N 2 0 360.458 -0.262 20 0 FBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000662857588 483915517 /nfs/dbraw/zinc/91/55/17/483915517.db2.gz BKLUPHDGPVQIIK-IRXDYDNUSA-N 2 0 360.458 -0.262 20 0 FBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000662857590 483916073 /nfs/dbraw/zinc/91/60/73/483916073.db2.gz BKLUPHDGPVQIIK-SJORKVTESA-N 2 0 360.458 -0.262 20 0 FBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000662859742 483916552 /nfs/dbraw/zinc/91/65/52/483916552.db2.gz NZFVXGOAQBIARM-AEFFLSMTSA-N 2 0 362.474 -0.031 20 0 FBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000662859743 483916108 /nfs/dbraw/zinc/91/61/08/483916108.db2.gz NZFVXGOAQBIARM-WMZOPIPTSA-N 2 0 362.474 -0.031 20 0 FBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662874402 483916184 /nfs/dbraw/zinc/91/61/84/483916184.db2.gz NKAPCJHJNCIIGQ-AWEZNQCLSA-N 2 0 365.482 -0.315 20 0 FBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662874403 483915536 /nfs/dbraw/zinc/91/55/36/483915536.db2.gz NKAPCJHJNCIIGQ-CQSZACIVSA-N 2 0 365.482 -0.315 20 0 FBADRP [NH3+]CC12CC(C1)CN2C(=O)C[C@@]1(C(=O)N2CC3CC2(C[NH3+])C3)CC[NH2+]C1 ZINC000662874940 483915816 /nfs/dbraw/zinc/91/58/16/483915816.db2.gz FAYURIFBTYSTMT-BRGMLXMMSA-N 3 0 361.490 -0.744 20 0 FBADRP [NH3+]CC12CC(C1)CN2C(=O)C[C@]1(C(=O)N2CC3CC2(C[NH3+])C3)CC[NH2+]C1 ZINC000662874941 483916416 /nfs/dbraw/zinc/91/64/16/483916416.db2.gz FAYURIFBTYSTMT-GTHUJYKFSA-N 3 0 361.490 -0.744 20 0 FBADRP CN(C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662899389 483919116 /nfs/dbraw/zinc/91/91/16/483919116.db2.gz CKCLHXICNCTXCN-CVEARBPZSA-N 2 0 351.495 -0.519 20 0 FBADRP CN(C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662899391 483919487 /nfs/dbraw/zinc/91/94/87/483919487.db2.gz CKCLHXICNCTXCN-HOTGVXAUSA-N 2 0 351.495 -0.519 20 0 FBADRP CN(C(=O)CNC(=O)[C@H]1CCC[NH2+]1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662899393 483919405 /nfs/dbraw/zinc/91/94/05/483919405.db2.gz CKCLHXICNCTXCN-HZPDHXFCSA-N 2 0 351.495 -0.519 20 0 FBADRP CN(C(=O)CNC(=O)[C@H]1CCC[NH2+]1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662899394 483918584 /nfs/dbraw/zinc/91/85/84/483918584.db2.gz CKCLHXICNCTXCN-JKSUJKDBSA-N 2 0 351.495 -0.519 20 0 FBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662899791 483918547 /nfs/dbraw/zinc/91/85/47/483918547.db2.gz GXNHHXSLTTZSQP-RDJZCZTQSA-N 2 0 353.511 -0.287 20 0 FBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662899792 483919292 /nfs/dbraw/zinc/91/92/92/483919292.db2.gz GXNHHXSLTTZSQP-WBVHZDCISA-N 2 0 353.511 -0.287 20 0 FBADRP CN(C(=O)CN1CCCC[C@@H]([NH3+])C1=O)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662900744 483918392 /nfs/dbraw/zinc/91/83/92/483918392.db2.gz PNSJLJFLIYRBIJ-DLBZAZTESA-N 2 0 365.522 -0.047 20 0 FBADRP CN(C(=O)CN1CCCC[C@@H]([NH3+])C1=O)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662900745 483918749 /nfs/dbraw/zinc/91/87/49/483918749.db2.gz PNSJLJFLIYRBIJ-IAGOWNOFSA-N 2 0 365.522 -0.047 20 0 FBADRP CN(C(=O)CN1CCCC[C@H]([NH3+])C1=O)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662900746 483918494 /nfs/dbraw/zinc/91/84/94/483918494.db2.gz PNSJLJFLIYRBIJ-IRXDYDNUSA-N 2 0 365.522 -0.047 20 0 FBADRP CN(C(=O)CN1CCCC[C@H]([NH3+])C1=O)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662900747 483918666 /nfs/dbraw/zinc/91/86/66/483918666.db2.gz PNSJLJFLIYRBIJ-SJORKVTESA-N 2 0 365.522 -0.047 20 0 FBADRP CN(C(=O)CCNC(=O)[C@H]1CCC[NH2+]1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662900903 483918137 /nfs/dbraw/zinc/91/81/37/483918137.db2.gz PZNODPOEUGMGON-DLBZAZTESA-N 2 0 365.522 -0.128 20 0 FBADRP CN(C(=O)CCNC(=O)[C@H]1CCC[NH2+]1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662900907 483919225 /nfs/dbraw/zinc/91/92/25/483919225.db2.gz PZNODPOEUGMGON-IAGOWNOFSA-N 2 0 365.522 -0.128 20 0 FBADRP CN(C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662900909 483918292 /nfs/dbraw/zinc/91/82/92/483918292.db2.gz PZNODPOEUGMGON-IRXDYDNUSA-N 2 0 365.522 -0.128 20 0 FBADRP CN(C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662900912 483918815 /nfs/dbraw/zinc/91/88/15/483918815.db2.gz PZNODPOEUGMGON-SJORKVTESA-N 2 0 365.522 -0.128 20 0 FBADRP O=C(C[C@@]1(C(=O)NCC23CC(C2)C[NH2+]3)CC[NH2+]C1)NCC12CC(C1)C[NH2+]2 ZINC000662921920 483925531 /nfs/dbraw/zinc/92/55/31/483925531.db2.gz FJDVUDAWBANJQZ-BRGMLXMMSA-N 3 0 361.490 -0.907 20 0 FBADRP O=C(C[C@]1(C(=O)NCC23CC(C2)C[NH2+]3)CC[NH2+]C1)NCC12CC(C1)C[NH2+]2 ZINC000662921922 483926578 /nfs/dbraw/zinc/92/65/78/483926578.db2.gz FJDVUDAWBANJQZ-GTHUJYKFSA-N 3 0 361.490 -0.907 20 0 FBADRP [NH3+][C@@H]1CN(C(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)CC[C@H]1F ZINC000662924664 483926619 /nfs/dbraw/zinc/92/66/19/483926619.db2.gz GIZRUEYXSQRMSR-HUUCEWRRSA-N 2 0 356.442 -0.545 20 0 FBADRP [NH3+]CC12CC(C1)CN2C(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000662925138 483925489 /nfs/dbraw/zinc/92/54/89/483925489.db2.gz NFNKBFLMUXBYAK-UHFFFAOYSA-N 2 0 350.463 -0.493 20 0 FBADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662925553 483928563 /nfs/dbraw/zinc/92/85/63/483928563.db2.gz CFQXMYVARRXKDZ-HUUCEWRRSA-N 2 0 357.474 -0.632 20 0 FBADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662925895 483928496 /nfs/dbraw/zinc/92/84/96/483928496.db2.gz DVTCMGPMGXXJMG-UHFFFAOYSA-N 2 0 351.495 -0.580 20 0 FBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000662927893 483927406 /nfs/dbraw/zinc/92/74/06/483927406.db2.gz IBCZWSZIEVMDSQ-UHFFFAOYSA-N 2 0 353.511 -0.332 20 0 FBADRP CN1CC[NH+](CC2CCN(C(=O)C(=O)N3CC4CC3(C[NH3+])C4)CC2)CC1 ZINC000662928769 483928081 /nfs/dbraw/zinc/92/80/81/483928081.db2.gz UIGPUKWDOGADKU-UHFFFAOYSA-N 2 0 363.506 -0.578 20 0 FBADRP CN1CC[NH+](CC2CCN(C(=O)C(=O)N3CC[C@@H](F)[C@H]([NH3+])C3)CC2)CC1 ZINC000662929133 483927604 /nfs/dbraw/zinc/92/76/04/483927604.db2.gz ZHJDHOYVTDDWIV-HZPDHXFCSA-N 2 0 369.485 -0.630 20 0 FBADRP CN(C(=O)C(=O)N1CC2CC1(C[NH3+])C2)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662929680 483928398 /nfs/dbraw/zinc/92/83/98/483928398.db2.gz DXGHSPDRILSCPX-NLGTXKQRSA-N 2 0 363.506 -0.437 20 0 FBADRP CN(C(=O)C(=O)N1CC2CC1(C[NH3+])C2)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662929681 483927281 /nfs/dbraw/zinc/92/72/81/483927281.db2.gz DXGHSPDRILSCPX-RCDNUKIMSA-N 2 0 363.506 -0.437 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC4CC3(C[NH3+])C4)CC2)c1 ZINC000662929911 483928654 /nfs/dbraw/zinc/92/86/54/483928654.db2.gz JIUAWRWKLCOAQS-UHFFFAOYSA-N 2 0 359.430 -0.312 20 0 FBADRP CN(C(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662930022 483928518 /nfs/dbraw/zinc/92/85/18/483928518.db2.gz LHVNKDZOGGZTBT-ARFHVFGLSA-N 2 0 369.485 -0.489 20 0 FBADRP CN(C(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662930023 483927753 /nfs/dbraw/zinc/92/77/53/483927753.db2.gz LHVNKDZOGGZTBT-BZUAXINKSA-N 2 0 369.485 -0.489 20 0 FBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@@H](F)[C@H]([NH3+])C3)CC2)c1 ZINC000662930038 483928307 /nfs/dbraw/zinc/92/83/07/483928307.db2.gz LSVCBJIQFQEKRX-ZIAGYGMSSA-N 2 0 365.409 -0.364 20 0 FBADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N(C)CCC[NH3+])CC1 ZINC000662930243 483928005 /nfs/dbraw/zinc/92/80/05/483928005.db2.gz NGTWZEJIYUPZGE-HOTGVXAUSA-N 2 0 353.511 -0.189 20 0 FBADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N(C)CCC[NH3+])CC1 ZINC000662930244 483927811 /nfs/dbraw/zinc/92/78/11/483927811.db2.gz NGTWZEJIYUPZGE-HZPDHXFCSA-N 2 0 353.511 -0.189 20 0 FBADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N(C)CCC[NH3+])CC1 ZINC000662930245 483928459 /nfs/dbraw/zinc/92/84/59/483928459.db2.gz NGTWZEJIYUPZGE-IYBDPMFKSA-N 2 0 353.511 -0.189 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N(C)CC(C)(C)[NH3+])CC1 ZINC000662930340 483928252 /nfs/dbraw/zinc/92/82/52/483928252.db2.gz OLOBGCXSLOKXGH-UHFFFAOYSA-N 2 0 355.483 -0.805 20 0 FBADRP [NH3+]CC12CC(C1)CN2C(=O)C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000662930376 483928335 /nfs/dbraw/zinc/92/83/35/483928335.db2.gz PIQNXSFKPKPHRF-UHFFFAOYSA-N 2 0 364.490 -0.103 20 0 FBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662930468 483927229 /nfs/dbraw/zinc/92/72/29/483927229.db2.gz QTWQLSRFFLYQSM-HNNXBMFYSA-N 2 0 353.511 -0.191 20 0 FBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662930470 483928189 /nfs/dbraw/zinc/92/81/89/483928189.db2.gz QTWQLSRFFLYQSM-OAHLLOKOSA-N 2 0 353.511 -0.191 20 0 FBADRP [NH3+][C@@H]1CN(C(=O)C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)CC[C@H]1F ZINC000662930888 483689521 /nfs/dbraw/zinc/68/95/21/483689521.db2.gz XDZKZKHFBJPWGY-HZPDHXFCSA-N 2 0 370.469 -0.155 20 0 FBADRP [NH3+]CC12CC(C1)CN2C(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000662931148 483928146 /nfs/dbraw/zinc/92/81/46/483928146.db2.gz BLTZOEOQXCSMSR-UHFFFAOYSA-N 2 0 350.463 -0.493 20 0 FBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CC[C@@H](F)[C@H]([NH3+])C3)CC2)C1 ZINC000662931184 483927467 /nfs/dbraw/zinc/92/74/67/483927467.db2.gz AFULIVFXVAXHSA-RBSFLKMASA-N 2 0 355.458 -0.878 20 0 FBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CC[C@@H](F)[C@H]([NH3+])C3)CC2)C1 ZINC000662931185 483927649 /nfs/dbraw/zinc/92/76/49/483927649.db2.gz AFULIVFXVAXHSA-RRFJBIMHSA-N 2 0 355.458 -0.878 20 0 FBADRP [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)CC[C@H]1F ZINC000662931497 483928053 /nfs/dbraw/zinc/92/80/53/483928053.db2.gz DNNMCVOEDIQTHF-HUUCEWRRSA-N 2 0 356.442 -0.545 20 0 FBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000662931941 483928119 /nfs/dbraw/zinc/92/81/19/483928119.db2.gz JNLLGIVZFFCWHY-HNNXBMFYSA-N 2 0 353.511 -0.189 20 0 FBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000662931942 483928450 /nfs/dbraw/zinc/92/84/50/483928450.db2.gz JNLLGIVZFFCWHY-OAHLLOKOSA-N 2 0 353.511 -0.189 20 0 FBADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000662932695 483930060 /nfs/dbraw/zinc/93/00/60/483930060.db2.gz SVWFUIHRETVZAL-ARFHVFGLSA-N 2 0 369.485 -0.487 20 0 FBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000662932696 483929807 /nfs/dbraw/zinc/92/98/07/483929807.db2.gz SVWFUIHRETVZAL-BZUAXINKSA-N 2 0 369.485 -0.487 20 0 FBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000662933246 483929793 /nfs/dbraw/zinc/92/97/93/483929793.db2.gz WWOLWJOETHMRET-KOHRHEQBSA-N 2 0 363.506 -0.435 20 0 FBADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000662933248 483930135 /nfs/dbraw/zinc/93/01/35/483930135.db2.gz WWOLWJOETHMRET-WUJZJPHMSA-N 2 0 363.506 -0.435 20 0 FBADRP [NH3+]CC12CC(C1)CN2C(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000662936734 483929085 /nfs/dbraw/zinc/92/90/85/483929085.db2.gz BLSJKJBSIWAXPT-KSTDHSDQSA-N 2 0 350.463 -0.493 20 0 FBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000662936740 483929332 /nfs/dbraw/zinc/92/93/32/483929332.db2.gz BSMHHAHININGCY-CHWSQXEVSA-N 2 0 365.409 -0.364 20 0 FBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000662937426 483930174 /nfs/dbraw/zinc/93/01/74/483930174.db2.gz HILDHDFQWDSTPG-UHFFFAOYSA-N 2 0 359.430 -0.312 20 0 FBADRP [NH3+][C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CC[C@H]1F ZINC000662939003 483929998 /nfs/dbraw/zinc/92/99/98/483929998.db2.gz QZPOEYPJAAKPFB-RBSFLKMASA-N 2 0 356.442 -0.545 20 0 FBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000662939065 483929753 /nfs/dbraw/zinc/92/97/53/483929753.db2.gz ASFIWUVLEPHZTE-XYPWUTKMSA-N 2 0 365.522 -0.049 20 0 FBADRP CN(CCC[NH3+])C(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000662939171 483932514 /nfs/dbraw/zinc/93/25/14/483932514.db2.gz DJSJICAZAUKBPC-XYPWUTKMSA-N 2 0 351.495 -0.437 20 0 FBADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662939279 483930314 /nfs/dbraw/zinc/93/03/14/483930314.db2.gz TYOAADTYGWDADZ-VNSJNIRKSA-N 2 0 350.463 -0.352 20 0 FBADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662939280 483932027 /nfs/dbraw/zinc/93/20/27/483932027.db2.gz TYOAADTYGWDADZ-WRSVWVKZSA-N 2 0 350.463 -0.352 20 0 FBADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662939870 483931841 /nfs/dbraw/zinc/93/18/41/483931841.db2.gz XJASOBUONDGMMZ-BPLDGKMQSA-N 2 0 356.442 -0.404 20 0 FBADRP [NH3+][C@@H]1CN(C(=O)C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)CC[C@H]1F ZINC000662939923 483932542 /nfs/dbraw/zinc/93/25/42/483932542.db2.gz QTFROAMYPHXAEV-HZPDHXFCSA-N 2 0 370.469 -0.013 20 0 FBADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662940077 483932386 /nfs/dbraw/zinc/93/23/86/483932386.db2.gz XJASOBUONDGMMZ-NWANDNLSSA-N 2 0 356.442 -0.404 20 0 FBADRP C[NH+](C)CCCOC1CCN(C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000662940897 483932492 /nfs/dbraw/zinc/93/24/92/483932492.db2.gz PWSDPRFDQLKZLT-HUUCEWRRSA-N 2 0 358.458 -0.157 20 0 FBADRP C[NH+](C)CCCOC1CCN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000662941045 483932575 /nfs/dbraw/zinc/93/25/75/483932575.db2.gz RYSUKZNJRDQJEU-UHFFFAOYSA-N 2 0 352.479 -0.105 20 0 FBADRP CN(CCC[NH3+])C(=O)C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000662941429 483931081 /nfs/dbraw/zinc/93/10/81/483931081.db2.gz PLIYTUMPLAWMDM-UHFFFAOYSA-N 2 0 353.511 -0.330 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000662941883 483931230 /nfs/dbraw/zinc/93/12/30/483931230.db2.gz RPBCCNSLBJRVED-FPCVCCKLSA-N 2 0 369.485 -0.632 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000662941884 483931661 /nfs/dbraw/zinc/93/16/61/483931661.db2.gz RPBCCNSLBJRVED-JJXSEGSLSA-N 2 0 369.485 -0.632 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000662941885 483931720 /nfs/dbraw/zinc/93/17/20/483931720.db2.gz RPBCCNSLBJRVED-KLHDSHLOSA-N 2 0 369.485 -0.632 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000662941886 483931969 /nfs/dbraw/zinc/93/19/69/483931969.db2.gz RPBCCNSLBJRVED-ZJIFWQFVSA-N 2 0 369.485 -0.632 20 0 FBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC000662941893 483932629 /nfs/dbraw/zinc/93/26/29/483932629.db2.gz RRTLQDZWDRJYGB-RBSFLKMASA-N 2 0 358.458 -0.157 20 0 FBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC000662941894 483932159 /nfs/dbraw/zinc/93/21/59/483932159.db2.gz RRTLQDZWDRJYGB-RRFJBIMHSA-N 2 0 358.458 -0.157 20 0 FBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000662942053 483931021 /nfs/dbraw/zinc/93/10/21/483931021.db2.gz TZAGIXKJGDIMCA-CSLYMUCUSA-N 2 0 352.479 -0.105 20 0 FBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000662942060 483932317 /nfs/dbraw/zinc/93/23/17/483932317.db2.gz TZAGIXKJGDIMCA-SWKXRBFHSA-N 2 0 352.479 -0.105 20 0 FBADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N(C)CCC[NH3+])CC2)CC1 ZINC000662942448 483931603 /nfs/dbraw/zinc/93/16/03/483931603.db2.gz HJKCUPHGXIGFAU-UHFFFAOYSA-N 2 0 353.511 -0.189 20 0 FBADRP [NH3+]CC12CC(C1)CN2C(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000662944927 483934017 /nfs/dbraw/zinc/93/40/17/483934017.db2.gz BLSJKJBSIWAXPT-SYJJWHGVSA-N 2 0 350.463 -0.493 20 0 FBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)CC[NH+]2CCN(c3ccccn3)CC2)n1 ZINC000662945379 483933960 /nfs/dbraw/zinc/93/39/60/483933960.db2.gz ALXUQQFLBIHRCH-UHFFFAOYSA-N 2 0 371.445 -0.136 20 0 FBADRP [NH3+][C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC[C@H]1F ZINC000662945548 483934089 /nfs/dbraw/zinc/93/40/89/483934089.db2.gz QZPOEYPJAAKPFB-RRFJBIMHSA-N 2 0 356.442 -0.545 20 0 FBADRP [NH3+][C@@H]1CN(C(=O)C[C@]2(C(=O)N3CC[C@@H](F)[C@H]([NH3+])C3)CC[NH2+]C2)CC[C@H]1F ZINC000662945557 483933596 /nfs/dbraw/zinc/93/35/96/483933596.db2.gz REEGOGTYIGAFAM-CVXDVXMKSA-N 3 0 373.448 -0.848 20 0 FBADRP [NH3+][C@@H]1CN(C(=O)C[C@@]2(C(=O)N3CC[C@@H](F)[C@H]([NH3+])C3)CC[NH2+]C2)CC[C@H]1F ZINC000662945562 483934292 /nfs/dbraw/zinc/93/42/92/483934292.db2.gz REEGOGTYIGAFAM-LYUDMSCLSA-N 3 0 373.448 -0.848 20 0 FBADRP C[NH+]1CCN(c2cc(C(=O)NCc3nc(C[NH3+])cc(=O)[nH]3)ccn2)CC1 ZINC000662945812 483933294 /nfs/dbraw/zinc/93/32/94/483933294.db2.gz ITBAEKPAETVBSA-UHFFFAOYSA-N 2 0 357.418 -0.282 20 0 FBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)CCO1 ZINC000662949222 483935765 /nfs/dbraw/zinc/93/57/65/483935765.db2.gz AQHQMFRVERUEHO-KKUMJFAQSA-N 2 0 356.467 -0.870 20 0 FBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)CCO1 ZINC000662949223 483935806 /nfs/dbraw/zinc/93/58/06/483935806.db2.gz AQHQMFRVERUEHO-RRFJBIMHSA-N 2 0 356.467 -0.870 20 0 FBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)CCO1 ZINC000662949224 483935852 /nfs/dbraw/zinc/93/58/52/483935852.db2.gz AQHQMFRVERUEHO-SOUVJXGZSA-N 2 0 356.467 -0.870 20 0 FBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)CCO1 ZINC000662949225 483935566 /nfs/dbraw/zinc/93/55/66/483935566.db2.gz AQHQMFRVERUEHO-ZNMIVQPWSA-N 2 0 356.467 -0.870 20 0 FBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000662950844 483935837 /nfs/dbraw/zinc/93/58/37/483935837.db2.gz DDTYLQALUPWLRS-OWCLPIDISA-N 2 0 352.479 -0.092 20 0 FBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000662950845 483935746 /nfs/dbraw/zinc/93/57/46/483935746.db2.gz DDTYLQALUPWLRS-PMPSAXMXSA-N 2 0 352.479 -0.092 20 0 FBADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000662953060 483935154 /nfs/dbraw/zinc/93/51/54/483935154.db2.gz KEGZGXYHFRPPOS-MSOLQXFVSA-N 2 0 374.485 -0.052 20 0 FBADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000662953071 483937015 /nfs/dbraw/zinc/93/70/15/483937015.db2.gz KEGZGXYHFRPPOS-QZTJIDSGSA-N 2 0 374.485 -0.052 20 0 FBADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000662953075 483936925 /nfs/dbraw/zinc/93/69/25/483936925.db2.gz KEGZGXYHFRPPOS-ROUUACIJSA-N 2 0 374.485 -0.052 20 0 FBADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000662953079 483936986 /nfs/dbraw/zinc/93/69/86/483936986.db2.gz KEGZGXYHFRPPOS-ZWKOTPCHSA-N 2 0 374.485 -0.052 20 0 FBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)CCO1 ZINC000662959224 483937338 /nfs/dbraw/zinc/93/73/38/483937338.db2.gz HJCYDFQEKDAHGK-CABCVRRESA-N 2 0 356.467 -0.868 20 0 FBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)CCO1 ZINC000662959225 483936839 /nfs/dbraw/zinc/93/68/39/483936839.db2.gz HJCYDFQEKDAHGK-GJZGRUSLSA-N 2 0 356.467 -0.868 20 0 FBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)CCO1 ZINC000662959226 483936759 /nfs/dbraw/zinc/93/67/59/483936759.db2.gz HJCYDFQEKDAHGK-HUUCEWRRSA-N 2 0 356.467 -0.868 20 0 FBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)CCO1 ZINC000662959227 483937099 /nfs/dbraw/zinc/93/70/99/483937099.db2.gz HJCYDFQEKDAHGK-LSDHHAIUSA-N 2 0 356.467 -0.868 20 0 FBADRP C[C@@H]1CCN(C(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)C[C@H]1C[NH3+] ZINC000662961172 483938129 /nfs/dbraw/zinc/93/81/29/483938129.db2.gz UKYMHWMVPICTFA-BZUAXINKSA-N 2 0 354.495 -0.001 20 0 FBADRP C[C@@H]1CCN(C(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)C[C@H]1C[NH3+] ZINC000662961173 483938766 /nfs/dbraw/zinc/93/87/66/483938766.db2.gz UKYMHWMVPICTFA-OAGGEKHMSA-N 2 0 354.495 -0.001 20 0 FBADRP C[C@@H]1CCN(C(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)C[C@@H]1C[NH3+] ZINC000662961174 483938104 /nfs/dbraw/zinc/93/81/04/483938104.db2.gz UKYMHWMVPICTFA-OWCLPIDISA-N 2 0 354.495 -0.001 20 0 FBADRP C[C@@H]1CCN(C(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)C[C@@H]1C[NH3+] ZINC000662961176 483938805 /nfs/dbraw/zinc/93/88/05/483938805.db2.gz UKYMHWMVPICTFA-PMPSAXMXSA-N 2 0 354.495 -0.001 20 0 FBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CCC3(CC[NH2+]3)CC2)CCO1 ZINC000662962232 483938871 /nfs/dbraw/zinc/93/88/71/483938871.db2.gz IKRCMIRHQRAETE-HNNXBMFYSA-N 2 0 352.479 -0.090 20 0 FBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CCC3(CC[NH2+]3)CC2)CCO1 ZINC000662962233 483938027 /nfs/dbraw/zinc/93/80/27/483938027.db2.gz IKRCMIRHQRAETE-OAHLLOKOSA-N 2 0 352.479 -0.090 20 0 FBADRP CCO[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)C[C@H]1C[NH3+] ZINC000662962741 483938338 /nfs/dbraw/zinc/93/83/38/483938338.db2.gz ISXYNNDOVQXYDD-BZUAXINKSA-N 2 0 370.494 -0.622 20 0 FBADRP CCO[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)C[C@H]1C[NH3+] ZINC000662962744 483938112 /nfs/dbraw/zinc/93/81/12/483938112.db2.gz ISXYNNDOVQXYDD-OWCLPIDISA-N 2 0 370.494 -0.622 20 0 FBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CCO1 ZINC000662964809 483938958 /nfs/dbraw/zinc/93/89/58/483938958.db2.gz ADUOFNBQBSEYKN-ARFHVFGLSA-N 2 0 352.479 -0.234 20 0 FBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)CCO1 ZINC000662964811 483938288 /nfs/dbraw/zinc/93/82/88/483938288.db2.gz ADUOFNBQBSEYKN-BZUAXINKSA-N 2 0 352.479 -0.234 20 0 FBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)CCO1 ZINC000662964815 483938158 /nfs/dbraw/zinc/93/81/58/483938158.db2.gz ADUOFNBQBSEYKN-OAGGEKHMSA-N 2 0 352.479 -0.234 20 0 FBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)CCO1 ZINC000662964819 483938139 /nfs/dbraw/zinc/93/81/39/483938139.db2.gz ADUOFNBQBSEYKN-XHSDSOJGSA-N 2 0 352.479 -0.234 20 0 FBADRP O=C(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662965187 483938493 /nfs/dbraw/zinc/93/84/93/483938493.db2.gz IHIRIYKMTDUFCR-IXDOHACOSA-N 2 0 364.490 -0.498 20 0 FBADRP O=C(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662965190 483938296 /nfs/dbraw/zinc/93/82/96/483938296.db2.gz IHIRIYKMTDUFCR-YESZJQIVSA-N 2 0 364.490 -0.498 20 0 FBADRP O=C(C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000662965478 483938466 /nfs/dbraw/zinc/93/84/66/483938466.db2.gz LOWJKFOVRWSIGG-IXDOHACOSA-N 2 0 364.490 -0.498 20 0 FBADRP O=C(C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000662965479 483937936 /nfs/dbraw/zinc/93/79/36/483937936.db2.gz LOWJKFOVRWSIGG-YESZJQIVSA-N 2 0 364.490 -0.498 20 0 FBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CCO1 ZINC000662971312 483938851 /nfs/dbraw/zinc/93/88/51/483938851.db2.gz RSECPJFKFLPXCO-CRAIPNDOSA-N 2 0 352.479 -0.232 20 0 FBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CCO1 ZINC000662971313 483937927 /nfs/dbraw/zinc/93/79/27/483937927.db2.gz RSECPJFKFLPXCO-MAUKXSAKSA-N 2 0 352.479 -0.232 20 0 FBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CCO1 ZINC000662971314 483938823 /nfs/dbraw/zinc/93/88/23/483938823.db2.gz RSECPJFKFLPXCO-QAPCUYQASA-N 2 0 352.479 -0.232 20 0 FBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CCO1 ZINC000662971315 483937971 /nfs/dbraw/zinc/93/79/71/483937971.db2.gz RSECPJFKFLPXCO-YJBOKZPZSA-N 2 0 352.479 -0.232 20 0 FBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CCO1 ZINC000662971391 483938558 /nfs/dbraw/zinc/93/85/58/483938558.db2.gz SNUJNCTWSPVWDN-OWCLPIDISA-N 2 0 352.479 -0.092 20 0 FBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CCO1 ZINC000662971392 483938837 /nfs/dbraw/zinc/93/88/37/483938837.db2.gz SNUJNCTWSPVWDN-XHSDSOJGSA-N 2 0 352.479 -0.092 20 0 FBADRP C[C@@H]1CCN(C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C)[C@H](C[NH3+])C1 ZINC000662983241 483941543 /nfs/dbraw/zinc/94/15/43/483941543.db2.gz ITYGLPQLIPUMFH-CVEARBPZSA-N 2 0 355.527 -0.086 20 0 FBADRP C[C@@H]1CCN(C(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)[C@H](C[NH3+])C1 ZINC000662985135 483942024 /nfs/dbraw/zinc/94/20/24/483942024.db2.gz ROQQLFZKXQYMQQ-IKGGRYGDSA-N 2 0 365.522 -0.189 20 0 FBADRP C[C@@H]1CCN(C(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)[C@H](C[NH3+])C1 ZINC000662985138 483942096 /nfs/dbraw/zinc/94/20/96/483942096.db2.gz ROQQLFZKXQYMQQ-ZACQAIPSSA-N 2 0 365.522 -0.189 20 0 FBADRP C[C@@H]1CCN(C(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)[C@H](C[NH3+])C1 ZINC000662985164 483941671 /nfs/dbraw/zinc/94/16/71/483941671.db2.gz SCHVVTDUJVBYTI-ZBFHGGJFSA-N 2 0 354.495 -0.123 20 0 FBADRP C[C@@H]1CCN(C(=O)C(=O)N(C)CCCN2CC[NH+](C)CC2)[C@H](C[NH3+])C1 ZINC000662985341 483941594 /nfs/dbraw/zinc/94/15/94/483941594.db2.gz UQWFVTNTXOQRGM-CVEARBPZSA-N 2 0 353.511 -0.332 20 0 FBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CCO1 ZINC000662992797 483943062 /nfs/dbraw/zinc/94/30/62/483943062.db2.gz ITPCZVCILBNNBS-ARFHVFGLSA-N 2 0 352.479 -0.234 20 0 FBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CCO1 ZINC000662992799 483943461 /nfs/dbraw/zinc/94/34/61/483943461.db2.gz ITPCZVCILBNNBS-BZUAXINKSA-N 2 0 352.479 -0.234 20 0 FBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CCO1 ZINC000662992800 483943388 /nfs/dbraw/zinc/94/33/88/483943388.db2.gz ITPCZVCILBNNBS-OAGGEKHMSA-N 2 0 352.479 -0.234 20 0 FBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CCO1 ZINC000662992802 483944632 /nfs/dbraw/zinc/94/46/32/483944632.db2.gz ITPCZVCILBNNBS-XHSDSOJGSA-N 2 0 352.479 -0.234 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)C[C@@]1(C)C[NH3+] ZINC000662992892 483944653 /nfs/dbraw/zinc/94/46/53/483944653.db2.gz KSJMTUBNIKPRCR-IIDMSEBBSA-N 2 0 354.495 -0.001 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)C[C@@]1(C)C[NH3+] ZINC000662992893 483944151 /nfs/dbraw/zinc/94/41/51/483944151.db2.gz KSJMTUBNIKPRCR-RVKKMQEKSA-N 2 0 354.495 -0.001 20 0 FBADRP O=C(C[C@H]1C[NH2+]CCO1)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663013791 483944575 /nfs/dbraw/zinc/94/45/75/483944575.db2.gz AKVUZBZAQZHUKN-CABCVRRESA-N 2 0 362.478 -0.096 20 0 FBADRP O=C(C[C@H]1C[NH2+]CCO1)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663013792 483944672 /nfs/dbraw/zinc/94/46/72/483944672.db2.gz AKVUZBZAQZHUKN-GJZGRUSLSA-N 2 0 362.478 -0.096 20 0 FBADRP O=C(C[C@@H]1C[NH2+]CCO1)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663013793 483944316 /nfs/dbraw/zinc/94/43/16/483944316.db2.gz AKVUZBZAQZHUKN-HUUCEWRRSA-N 2 0 362.478 -0.096 20 0 FBADRP O=C(C[C@@H]1C[NH2+]CCO1)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663013794 483944277 /nfs/dbraw/zinc/94/42/77/483944277.db2.gz AKVUZBZAQZHUKN-LSDHHAIUSA-N 2 0 362.478 -0.096 20 0 FBADRP COCC[NH2+]CC(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663014602 483944254 /nfs/dbraw/zinc/94/42/54/483944254.db2.gz MHDYBENYOBDWNM-AWEZNQCLSA-N 2 0 350.467 -0.239 20 0 FBADRP COCC[NH2+]CC(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663014603 483943997 /nfs/dbraw/zinc/94/39/97/483943997.db2.gz MHDYBENYOBDWNM-CQSZACIVSA-N 2 0 350.467 -0.239 20 0 FBADRP O=C(N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000663016156 483946160 /nfs/dbraw/zinc/94/61/60/483946160.db2.gz ASGRSSWBPNHREZ-DOXZYTNZSA-N 2 0 374.489 -0.239 20 0 FBADRP O=C(N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000663016157 483945971 /nfs/dbraw/zinc/94/59/71/483945971.db2.gz ASGRSSWBPNHREZ-VCBZYWHSSA-N 2 0 374.489 -0.239 20 0 FBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663016445 483946655 /nfs/dbraw/zinc/94/66/55/483946655.db2.gz DLROKNZAIWIPTQ-DZKIICNBSA-N 2 0 362.478 -0.111 20 0 FBADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663016446 483946459 /nfs/dbraw/zinc/94/64/59/483946459.db2.gz DLROKNZAIWIPTQ-FMKPAKJESA-N 2 0 362.478 -0.111 20 0 FBADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663016448 483945839 /nfs/dbraw/zinc/94/58/39/483945839.db2.gz DLROKNZAIWIPTQ-LZWOXQAQSA-N 2 0 362.478 -0.111 20 0 FBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663016449 483945457 /nfs/dbraw/zinc/94/54/57/483945457.db2.gz DLROKNZAIWIPTQ-YCPHGPKFSA-N 2 0 362.478 -0.111 20 0 FBADRP CO[C@H](C[NH3+])CC(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663016491 483946061 /nfs/dbraw/zinc/94/60/61/483946061.db2.gz BXVJJJAFLCYCEF-KBPBESRZSA-N 2 0 350.467 -0.111 20 0 FBADRP CO[C@H](C[NH3+])CC(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663016492 483945813 /nfs/dbraw/zinc/94/58/13/483945813.db2.gz BXVJJJAFLCYCEF-KGLIPLIRSA-N 2 0 350.467 -0.111 20 0 FBADRP CO[C@@H](C[NH3+])CC(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663016500 483946075 /nfs/dbraw/zinc/94/60/75/483946075.db2.gz BXVJJJAFLCYCEF-UONOGXRCSA-N 2 0 350.467 -0.111 20 0 FBADRP CO[C@@H](C[NH3+])CC(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663016502 483946315 /nfs/dbraw/zinc/94/63/15/483946315.db2.gz BXVJJJAFLCYCEF-ZIAGYGMSSA-N 2 0 350.467 -0.111 20 0 FBADRP O=C(CCOC1C[NH2+]C1)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663016560 483945883 /nfs/dbraw/zinc/94/58/83/483945883.db2.gz CLJACSIHOWVFEZ-AWEZNQCLSA-N 2 0 362.478 -0.096 20 0 FBADRP O=C(CCOC1C[NH2+]C1)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663016562 483946138 /nfs/dbraw/zinc/94/61/38/483946138.db2.gz CLJACSIHOWVFEZ-CQSZACIVSA-N 2 0 362.478 -0.096 20 0 FBADRP O=C(C[C@H]1COCC[NH2+]1)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663018067 483945788 /nfs/dbraw/zinc/94/57/88/483945788.db2.gz NHIJZXHXYYMXCH-CABCVRRESA-N 2 0 362.478 -0.096 20 0 FBADRP O=C(C[C@H]1COCC[NH2+]1)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663018068 483945400 /nfs/dbraw/zinc/94/54/00/483945400.db2.gz NHIJZXHXYYMXCH-GJZGRUSLSA-N 2 0 362.478 -0.096 20 0 FBADRP O=C(C[C@@H]1COCC[NH2+]1)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663018069 483946095 /nfs/dbraw/zinc/94/60/95/483946095.db2.gz NHIJZXHXYYMXCH-HUUCEWRRSA-N 2 0 362.478 -0.096 20 0 FBADRP O=C(C[C@@H]1COCC[NH2+]1)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663018070 483946530 /nfs/dbraw/zinc/94/65/30/483946530.db2.gz NHIJZXHXYYMXCH-LSDHHAIUSA-N 2 0 362.478 -0.096 20 0 FBADRP CC1(OCC(=O)N2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C[NH2+]C1 ZINC000663020107 483946435 /nfs/dbraw/zinc/94/64/35/483946435.db2.gz WRJVRTWKHGZKRU-AWEZNQCLSA-N 2 0 362.478 -0.096 20 0 FBADRP CC1(OCC(=O)N2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C[NH2+]C1 ZINC000663020108 483946627 /nfs/dbraw/zinc/94/66/27/483946627.db2.gz WRJVRTWKHGZKRU-CQSZACIVSA-N 2 0 362.478 -0.096 20 0 FBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)CC1 ZINC000663364932 483959060 /nfs/dbraw/zinc/95/90/60/483959060.db2.gz MYLLMISKQQRXKW-KZNAEPCWSA-N 2 0 352.523 -0.172 20 0 FBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)CC1 ZINC000663364934 483959430 /nfs/dbraw/zinc/95/94/30/483959430.db2.gz MYLLMISKQQRXKW-RCCFBDPRSA-N 2 0 352.523 -0.172 20 0 FBADRP C[NH+]1CCN(CCNc2cnc(NCCN3CC[NH+](C)CC3)cn2)CC1 ZINC000663373894 483959151 /nfs/dbraw/zinc/95/91/51/483959151.db2.gz HMHABDPQINZGLC-UHFFFAOYSA-N 2 0 362.526 -0.205 20 0 FBADRP OCCC[NH+]1CCN(c2cnc(N3CC[NH+](CCCO)CC3)cn2)CC1 ZINC000663485473 483962656 /nfs/dbraw/zinc/96/26/56/483962656.db2.gz RLTBPSFMEQUPRI-UHFFFAOYSA-N 2 0 364.494 -0.515 20 0 FBADRP C[C@H](O)C[NH+]1CCN(c2cnc(N3CC[NH+](C[C@H](C)O)CC3)cn2)CC1 ZINC000663536648 483963089 /nfs/dbraw/zinc/96/30/89/483963089.db2.gz BLFANYURJHAXTI-HOTGVXAUSA-N 2 0 364.494 -0.518 20 0 FBADRP C[C@@H](O)C[NH+]1CCN(c2cnc(N3CC[NH+](C[C@@H](C)O)CC3)cn2)CC1 ZINC000663536649 483962959 /nfs/dbraw/zinc/96/29/59/483962959.db2.gz BLFANYURJHAXTI-HZPDHXFCSA-N 2 0 364.494 -0.518 20 0 FBADRP C[C@@H](O)C[NH+]1CCN(c2cnc(N3CC[NH+](C[C@H](C)O)CC3)cn2)CC1 ZINC000663536650 483962369 /nfs/dbraw/zinc/96/23/69/483962369.db2.gz BLFANYURJHAXTI-IYBDPMFKSA-N 2 0 364.494 -0.518 20 0 FBADRP OCC[NH+]1CCCN(c2cnc(N3CCC[N@@H+](CCO)CC3)cn2)CC1 ZINC000663549810 483964889 /nfs/dbraw/zinc/96/48/89/483964889.db2.gz YKKHHLYKGQLPSY-UHFFFAOYSA-N 2 0 364.494 -0.515 20 0 FBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000663578525 483966880 /nfs/dbraw/zinc/96/68/80/483966880.db2.gz DWYUHFNKAFJRIG-UHFFFAOYSA-N 2 0 370.542 -0.326 20 0 FBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCCCC[NH+]1CCOCC1 ZINC000663653886 483897271 /nfs/dbraw/zinc/89/72/71/483897271.db2.gz IXYCIJHWMQORSU-UHFFFAOYSA-N 2 0 357.499 -0.240 20 0 FBADRP C[C@H]1CN(c2cnc(N3CC[N@H+](CCO)[C@@H](C)C3)cn2)CC[NH+]1CCO ZINC000663823267 483983480 /nfs/dbraw/zinc/98/34/80/483983480.db2.gz OGQFKMMXAIGKKJ-HOTGVXAUSA-N 2 0 364.494 -0.518 20 0 FBADRP C[C@@H]1CN(c2cnc(N3CC[N@H+](CCO)[C@H](C)C3)cn2)CC[NH+]1CCO ZINC000663823268 483983558 /nfs/dbraw/zinc/98/35/58/483983558.db2.gz OGQFKMMXAIGKKJ-HZPDHXFCSA-N 2 0 364.494 -0.518 20 0 FBADRP COCC[NH+]1CCC(NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)CC1 ZINC000663824702 483982462 /nfs/dbraw/zinc/98/24/62/483982462.db2.gz FSOZFWMPXMQGCA-UHFFFAOYSA-N 2 0 357.499 -0.241 20 0 FBADRP CN1CCC([NH+]2CCC(NC(=O)N3C[C@H](O)[C@@H]([NH+](C)C)C3)CC2)CC1 ZINC000663876111 483984247 /nfs/dbraw/zinc/98/42/47/483984247.db2.gz AEBGYXSRCZJDKH-IRXDYDNUSA-N 2 0 353.511 -0.139 20 0 FBADRP C[C@H]1C[NH+](CCO)CCN1c1cnc(N2CC[N@@H+](CCO)C[C@@H]2C)cn1 ZINC000663990679 483988581 /nfs/dbraw/zinc/98/85/81/483988581.db2.gz UNSPGQNQHGMKPG-HOTGVXAUSA-N 2 0 364.494 -0.518 20 0 FBADRP C[C@@H]1C[NH+](CCO)CCN1c1cnc(N2CC[N@@H+](CCO)C[C@H]2C)cn1 ZINC000663990683 483988707 /nfs/dbraw/zinc/98/87/07/483988707.db2.gz UNSPGQNQHGMKPG-HZPDHXFCSA-N 2 0 364.494 -0.518 20 0 FBADRP C[C@@H]1C[NH+](CCO)CCN1c1cnc(N2CC[N@@H+](CCO)C[C@@H]2C)cn1 ZINC000663990685 483989468 /nfs/dbraw/zinc/98/94/68/483989468.db2.gz UNSPGQNQHGMKPG-IYBDPMFKSA-N 2 0 364.494 -0.518 20 0 FBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000664024481 483990491 /nfs/dbraw/zinc/99/04/91/483990491.db2.gz DXHGPHXZIXDWKS-HNNXBMFYSA-N 2 0 356.515 -0.716 20 0 FBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000664024482 483990527 /nfs/dbraw/zinc/99/05/27/483990527.db2.gz DXHGPHXZIXDWKS-OAHLLOKOSA-N 2 0 356.515 -0.716 20 0 FBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)CC1 ZINC000664052415 483991231 /nfs/dbraw/zinc/99/12/31/483991231.db2.gz ZSCSXPFOWLMOOB-GJZGRUSLSA-N 2 0 355.483 -0.755 20 0 FBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000664064472 483993155 /nfs/dbraw/zinc/99/31/55/483993155.db2.gz BEMNGHMMBXGPMX-HNNXBMFYSA-N 2 0 357.499 -0.241 20 0 FBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000664064474 483993446 /nfs/dbraw/zinc/99/34/46/483993446.db2.gz BEMNGHMMBXGPMX-OAHLLOKOSA-N 2 0 357.499 -0.241 20 0 FBADRP Cc1c(N2CC([NH+]3CC[C@@H](O)C3)C2)ncnc1N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000664068341 483992356 /nfs/dbraw/zinc/99/23/56/483992356.db2.gz RWHMUOVZUBFQRB-IAGOWNOFSA-N 2 0 374.489 -0.705 20 0 FBADRP Cc1c(N2CC[NH+]3C[C@H](O)C[C@H]3C2)ncnc1N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000664074895 483993587 /nfs/dbraw/zinc/99/35/87/483993587.db2.gz CAAOKBFIEYKIPK-MWDXBVQZSA-N 2 0 374.489 -0.705 20 0 FBADRP CN(CCC[NH+](C)C)CCNC(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000664158760 483997042 /nfs/dbraw/zinc/99/70/42/483997042.db2.gz FHVVDFHGUPLQMF-HNNXBMFYSA-N 2 0 365.482 -0.292 20 0 FBADRP CN(CCC[NH+](C)C)CCNC(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000664158761 483997103 /nfs/dbraw/zinc/99/71/03/483997103.db2.gz FHVVDFHGUPLQMF-OAHLLOKOSA-N 2 0 365.482 -0.292 20 0 FBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000664176344 483998887 /nfs/dbraw/zinc/99/88/87/483998887.db2.gz VBKXYFRKZYCVBU-UHFFFAOYSA-N 2 0 370.542 -0.325 20 0 FBADRP C[C@@H](CNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)C[NH+]1CCN(C)CC1 ZINC000664221467 484000681 /nfs/dbraw/zinc/00/06/81/484000681.db2.gz PYQJQYWIJYYWOH-INIZCTEOSA-N 2 0 370.542 -0.469 20 0 FBADRP C[C@H](CNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)C[NH+]1CCN(C)CC1 ZINC000664221470 484001003 /nfs/dbraw/zinc/00/10/03/484001003.db2.gz PYQJQYWIJYYWOH-MRXNPFEDSA-N 2 0 370.542 -0.469 20 0 FBADRP CN(CCC[NH+](C)C)CCNC(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000664517400 484012183 /nfs/dbraw/zinc/01/21/83/484012183.db2.gz DAAIMOZHOYCEND-AWEZNQCLSA-N 2 0 363.528 -0.549 20 0 FBADRP CN(CCC[NH+](C)C)CCNC(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000664517401 484011971 /nfs/dbraw/zinc/01/19/71/484011971.db2.gz DAAIMOZHOYCEND-CQSZACIVSA-N 2 0 363.528 -0.549 20 0 FBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000664537872 484015596 /nfs/dbraw/zinc/01/55/96/484015596.db2.gz RXOCTVJXNZEGPT-UHFFFAOYSA-N 2 0 370.542 -0.326 20 0 FBADRP C[NH+](C)CCOc1cc(CNC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)ccn1 ZINC000664550643 484015426 /nfs/dbraw/zinc/01/54/26/484015426.db2.gz HOARLQTYIHHYER-GJZGRUSLSA-N 2 0 351.451 -0.162 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCOC3(C[NH2+]C3)C2)CC1=O ZINC000664724293 484024504 /nfs/dbraw/zinc/02/45/04/484024504.db2.gz HENBPQJFUUSUPP-CABCVRRESA-N 2 0 350.463 -0.480 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCOC3(C[NH2+]C3)C2)CC1=O ZINC000664724300 484024040 /nfs/dbraw/zinc/02/40/40/484024040.db2.gz HENBPQJFUUSUPP-GJZGRUSLSA-N 2 0 350.463 -0.480 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCOC3(C[NH2+]C3)C2)CC1=O ZINC000664724303 484023502 /nfs/dbraw/zinc/02/35/02/484023502.db2.gz HENBPQJFUUSUPP-HUUCEWRRSA-N 2 0 350.463 -0.480 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCOC3(C[NH2+]C3)C2)CC1=O ZINC000664724306 484024220 /nfs/dbraw/zinc/02/42/20/484024220.db2.gz HENBPQJFUUSUPP-LSDHHAIUSA-N 2 0 350.463 -0.480 20 0 FBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000664815399 484027456 /nfs/dbraw/zinc/02/74/56/484027456.db2.gz PDAJLGHQBYWVPI-UHFFFAOYSA-N 2 0 370.542 -0.326 20 0 FBADRP C[NH+](C)[C@H]1CN(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)C[C@@H]1O ZINC000665129625 484051874 /nfs/dbraw/zinc/05/18/74/484051874.db2.gz WMYVLSLHBMNYQZ-HOTGVXAUSA-N 2 0 369.510 -0.901 20 0 FBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000666186365 484561170 /nfs/dbraw/zinc/56/11/70/484561170.db2.gz YACCOTKGQJGFBM-UHFFFAOYSA-N 2 0 353.471 -0.072 20 0 FBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000666238821 484563826 /nfs/dbraw/zinc/56/38/26/484563826.db2.gz FXRFDBOGFJQQCS-UHFFFAOYSA-N 2 0 353.471 -0.072 20 0 FBADRP C[C@H](CNC(=O)c1cc(=O)cc(C(=O)NC[C@H](C)[NH+](C)C)o1)[NH+](C)C ZINC000666244387 484563860 /nfs/dbraw/zinc/56/38/60/484563860.db2.gz VVUNXVKWGZTROA-TXEJJXNPSA-N 2 0 352.435 0.000 20 0 FBADRP C[C@H](CNC(=O)c1cc(=O)cc(C(=O)NC[C@@H](C)[NH+](C)C)o1)[NH+](C)C ZINC000666244389 484563333 /nfs/dbraw/zinc/56/33/33/484563333.db2.gz VVUNXVKWGZTROA-VXGBXAGGSA-N 2 0 352.435 0.000 20 0 FBADRP [NH3+]Cc1cccc(NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000666752827 484576357 /nfs/dbraw/zinc/57/63/57/484576357.db2.gz NPIUPJBYWBKSAN-UHFFFAOYSA-N 2 0 373.457 -0.150 20 0 FBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000666906866 484579582 /nfs/dbraw/zinc/57/95/82/484579582.db2.gz LOJWTQHGYMZJLA-INIZCTEOSA-N 2 0 373.457 -0.151 20 0 FBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000666906867 484579558 /nfs/dbraw/zinc/57/95/58/484579558.db2.gz LOJWTQHGYMZJLA-MRXNPFEDSA-N 2 0 373.457 -0.151 20 0 FBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000666979968 484580360 /nfs/dbraw/zinc/58/03/60/484580360.db2.gz LYARCTJACLXPAS-INIZCTEOSA-N 2 0 369.510 -0.099 20 0 FBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000666979969 484580346 /nfs/dbraw/zinc/58/03/46/484580346.db2.gz LYARCTJACLXPAS-MRXNPFEDSA-N 2 0 369.510 -0.099 20 0 FBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)Nc1ccnn1CC[NH+](C)C ZINC000667152420 484583998 /nfs/dbraw/zinc/58/39/98/484583998.db2.gz NHVUBGJNPXWGPD-UHFFFAOYSA-N 2 0 353.471 -0.072 20 0 FBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CC(=O)NC(=O)N1 ZINC000667680297 484592420 /nfs/dbraw/zinc/59/24/20/484592420.db2.gz CHUYAKGGHYXFPK-AWEZNQCLSA-N 2 0 360.418 -0.692 20 0 FBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C1(n2cnnn2)CC1 ZINC000667680324 484591917 /nfs/dbraw/zinc/59/19/17/484591917.db2.gz CVSJVQIRFJYNGD-UHFFFAOYSA-N 2 0 356.434 -0.114 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cnn(C[C@@H](O)CO)c1 ZINC000667812110 484595609 /nfs/dbraw/zinc/59/56/09/484595609.db2.gz DTFXVVLGHBLJLL-DLBZAZTESA-N 2 0 367.494 -0.276 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cnn(C[C@@H](O)CO)c1 ZINC000667812111 484595713 /nfs/dbraw/zinc/59/57/13/484595713.db2.gz DTFXVVLGHBLJLL-IAGOWNOFSA-N 2 0 367.494 -0.276 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cnn(C[C@H](O)CO)c1 ZINC000667812112 484596763 /nfs/dbraw/zinc/59/67/63/484596763.db2.gz DTFXVVLGHBLJLL-IRXDYDNUSA-N 2 0 367.494 -0.276 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cnn(C[C@H](O)CO)c1 ZINC000667812113 484596479 /nfs/dbraw/zinc/59/64/79/484596479.db2.gz DTFXVVLGHBLJLL-SJORKVTESA-N 2 0 367.494 -0.276 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CNS(=O)(=O)N(C)C ZINC000667812271 484596710 /nfs/dbraw/zinc/59/67/10/484596710.db2.gz ILZWCVMKENLQDK-AWEZNQCLSA-N 2 0 363.528 -0.743 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CNS(=O)(=O)N(C)C ZINC000667812272 484596987 /nfs/dbraw/zinc/59/69/87/484596987.db2.gz ILZWCVMKENLQDK-CQSZACIVSA-N 2 0 363.528 -0.743 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC000667812369 484597008 /nfs/dbraw/zinc/59/70/08/484597008.db2.gz KTBRMSHFGOSFQH-QBPKDAKJSA-N 2 0 355.479 -0.726 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC000667812370 484596938 /nfs/dbraw/zinc/59/69/38/484596938.db2.gz KTBRMSHFGOSFQH-YLFCFFPRSA-N 2 0 355.479 -0.726 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CC1(n2cnnn2)CCOCC1 ZINC000668303089 483517241 /nfs/dbraw/zinc/51/72/41/483517241.db2.gz YWXVCELVUIWHAM-UHFFFAOYSA-N 2 0 353.471 -0.479 20 0 FBADRP C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[C@H](C(=O)N[C@@H]3CCC[N@@H+](C)C3)O2)C1 ZINC000668330180 483521830 /nfs/dbraw/zinc/52/18/30/483521830.db2.gz NCHFXNFGAIWZHS-FPCVCCKLSA-N 2 0 352.479 -0.045 20 0 FBADRP C[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)N[C@H]3CCC[N@@H+](C)C3)O2)C1 ZINC000668330181 483521095 /nfs/dbraw/zinc/52/10/95/483521095.db2.gz NCHFXNFGAIWZHS-GEEKYZPCSA-N 2 0 352.479 -0.045 20 0 FBADRP C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[C@H](C(=O)N[C@H]3CCC[N@@H+](C)C3)O2)C1 ZINC000668330182 483520924 /nfs/dbraw/zinc/52/09/24/483520924.db2.gz NCHFXNFGAIWZHS-SYMSYNOKSA-N 2 0 352.479 -0.045 20 0 FBADRP C[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N[C@H]3CCC[N@@H+](C)C3)O2)C1 ZINC000668330183 483522022 /nfs/dbraw/zinc/52/20/22/483522022.db2.gz NCHFXNFGAIWZHS-YHUYYLMFSA-N 2 0 352.479 -0.045 20 0 FBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)C1 ZINC000668435620 483682598 /nfs/dbraw/zinc/68/25/98/483682598.db2.gz KHRHBWDNFWJYMK-DLBZAZTESA-N 2 0 367.538 -0.025 20 0 FBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)C1 ZINC000668435621 483682633 /nfs/dbraw/zinc/68/26/33/483682633.db2.gz KHRHBWDNFWJYMK-IAGOWNOFSA-N 2 0 367.538 -0.025 20 0 FBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)C1 ZINC000668435622 483683144 /nfs/dbraw/zinc/68/31/44/483683144.db2.gz KHRHBWDNFWJYMK-IRXDYDNUSA-N 2 0 367.538 -0.025 20 0 FBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)C1 ZINC000668435623 483683224 /nfs/dbraw/zinc/68/32/24/483683224.db2.gz KHRHBWDNFWJYMK-SJORKVTESA-N 2 0 367.538 -0.025 20 0 FBADRP CCN(C(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1)[C@H]1CC[N@H+](C)C1 ZINC000668465112 660017180 /nfs/dbraw/zinc/01/71/80/660017180.db2.gz UJTRLODQWDQSBQ-INIZCTEOSA-N 2 0 353.511 -0.319 20 0 FBADRP CCN(C(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000668465113 660017241 /nfs/dbraw/zinc/01/72/41/660017241.db2.gz UJTRLODQWDQSBQ-MRXNPFEDSA-N 2 0 353.511 -0.319 20 0 FBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)C1 ZINC000668465812 660017660 /nfs/dbraw/zinc/01/76/60/660017660.db2.gz KVJJCPUICUWPEX-INIZCTEOSA-N 2 0 353.511 -0.271 20 0 FBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)C1 ZINC000668465813 660017744 /nfs/dbraw/zinc/01/77/44/660017744.db2.gz KVJJCPUICUWPEX-MRXNPFEDSA-N 2 0 353.511 -0.271 20 0 FBADRP CC1CC[NH+](CCNC(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000668499024 483752806 /nfs/dbraw/zinc/75/28/06/483752806.db2.gz ZVLNPJRNIVFTTC-KRWDZBQOSA-N 2 0 366.506 -0.108 20 0 FBADRP CC1CC[NH+](CCNC(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000668499025 483752527 /nfs/dbraw/zinc/75/25/27/483752527.db2.gz ZVLNPJRNIVFTTC-QGZVFWFLSA-N 2 0 366.506 -0.108 20 0 FBADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)C1 ZINC000668499135 483752880 /nfs/dbraw/zinc/75/28/80/483752880.db2.gz AJKQKAFLCVBPLJ-DOTOQJQBSA-N 2 0 366.506 -0.108 20 0 FBADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)C1 ZINC000668499136 483752688 /nfs/dbraw/zinc/75/26/88/483752688.db2.gz AJKQKAFLCVBPLJ-NVXWUHKLSA-N 2 0 366.506 -0.108 20 0 FBADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)C1 ZINC000668499137 483752712 /nfs/dbraw/zinc/75/27/12/483752712.db2.gz AJKQKAFLCVBPLJ-RDJZCZTQSA-N 2 0 366.506 -0.108 20 0 FBADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)C1 ZINC000668499138 483752947 /nfs/dbraw/zinc/75/29/47/483752947.db2.gz AJKQKAFLCVBPLJ-WBVHZDCISA-N 2 0 366.506 -0.108 20 0 FBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)C1 ZINC000668510867 483765689 /nfs/dbraw/zinc/76/56/89/483765689.db2.gz CJPNQUCIQJRWQU-INIZCTEOSA-N 2 0 353.511 -0.269 20 0 FBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)C1 ZINC000668510868 483765816 /nfs/dbraw/zinc/76/58/16/483765816.db2.gz CJPNQUCIQJRWQU-MRXNPFEDSA-N 2 0 353.511 -0.269 20 0 FBADRP CCN(C(=O)C(=O)NCCCC[NH+]1CCN(C)CC1)[C@H]1CC[N@H+](C)C1 ZINC000668512465 483767444 /nfs/dbraw/zinc/76/74/44/483767444.db2.gz RTGMFZBNZHJMGQ-INIZCTEOSA-N 2 0 353.511 -0.317 20 0 FBADRP CCN(C(=O)C(=O)NCCCC[NH+]1CCN(C)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000668512468 483767547 /nfs/dbraw/zinc/76/75/47/483767547.db2.gz RTGMFZBNZHJMGQ-MRXNPFEDSA-N 2 0 353.511 -0.317 20 0 FBADRP COCC[N@H+](C)CCCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000668557735 483826260 /nfs/dbraw/zinc/82/62/60/483826260.db2.gz MNLMURWPTWTGSQ-INIZCTEOSA-N 2 0 370.494 -0.560 20 0 FBADRP COCC[N@H+](C)CCCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000668557736 483826550 /nfs/dbraw/zinc/82/65/50/483826550.db2.gz MNLMURWPTWTGSQ-MRXNPFEDSA-N 2 0 370.494 -0.560 20 0 FBADRP C[C@H](CNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)C[NH+]1CCN(C)CC1 ZINC000668581453 483836818 /nfs/dbraw/zinc/83/68/18/483836818.db2.gz DTZBFCSPSUKMPF-CVEARBPZSA-N 2 0 367.538 -0.025 20 0 FBADRP C[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)C[NH+]1CCN(C)CC1 ZINC000668581454 483836499 /nfs/dbraw/zinc/83/64/99/483836499.db2.gz DTZBFCSPSUKMPF-HOTGVXAUSA-N 2 0 367.538 -0.025 20 0 FBADRP C[C@H](CNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)C[NH+]1CCN(C)CC1 ZINC000668581455 483836629 /nfs/dbraw/zinc/83/66/29/483836629.db2.gz DTZBFCSPSUKMPF-HZPDHXFCSA-N 2 0 367.538 -0.025 20 0 FBADRP C[C@@H](CNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)C[NH+]1CCN(C)CC1 ZINC000668581456 483836329 /nfs/dbraw/zinc/83/63/29/483836329.db2.gz DTZBFCSPSUKMPF-JKSUJKDBSA-N 2 0 367.538 -0.025 20 0 FBADRP C[C@@H](CNC(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)C[NH+]1CCCC1 ZINC000668581504 483836746 /nfs/dbraw/zinc/83/67/46/483836746.db2.gz FNWICWRHARDNJR-DOTOQJQBSA-N 2 0 366.506 -0.108 20 0 FBADRP C[C@H](CNC(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)C[NH+]1CCCC1 ZINC000668581505 483836378 /nfs/dbraw/zinc/83/63/78/483836378.db2.gz FNWICWRHARDNJR-NVXWUHKLSA-N 2 0 366.506 -0.108 20 0 FBADRP C[C@@H](CNC(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)C[NH+]1CCCC1 ZINC000668581506 483836606 /nfs/dbraw/zinc/83/66/06/483836606.db2.gz FNWICWRHARDNJR-RDJZCZTQSA-N 2 0 366.506 -0.108 20 0 FBADRP C[C@H](CNC(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)C[NH+]1CCCC1 ZINC000668581507 483836749 /nfs/dbraw/zinc/83/67/49/483836749.db2.gz FNWICWRHARDNJR-WBVHZDCISA-N 2 0 366.506 -0.108 20 0 FBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000668581514 483836475 /nfs/dbraw/zinc/83/64/75/483836475.db2.gz FQVVFLKKTHRBLJ-CVEARBPZSA-N 2 0 353.511 -0.413 20 0 FBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000668581515 483836433 /nfs/dbraw/zinc/83/64/33/483836433.db2.gz FQVVFLKKTHRBLJ-HOTGVXAUSA-N 2 0 353.511 -0.413 20 0 FBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000668581516 483836309 /nfs/dbraw/zinc/83/63/09/483836309.db2.gz FQVVFLKKTHRBLJ-HZPDHXFCSA-N 2 0 353.511 -0.413 20 0 FBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000668581517 483836537 /nfs/dbraw/zinc/83/65/37/483836537.db2.gz FQVVFLKKTHRBLJ-JKSUJKDBSA-N 2 0 353.511 -0.413 20 0 FBADRP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)C[NH+]1CCN(C)CC1 ZINC000668581606 483836453 /nfs/dbraw/zinc/83/64/53/483836453.db2.gz HSQFMKZZVQYZST-CVEARBPZSA-N 2 0 367.538 -0.025 20 0 FBADRP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)C[NH+]1CCN(C)CC1 ZINC000668581607 483836575 /nfs/dbraw/zinc/83/65/75/483836575.db2.gz HSQFMKZZVQYZST-HOTGVXAUSA-N 2 0 367.538 -0.025 20 0 FBADRP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)C[NH+]1CCN(C)CC1 ZINC000668581608 483836364 /nfs/dbraw/zinc/83/63/64/483836364.db2.gz HSQFMKZZVQYZST-HZPDHXFCSA-N 2 0 367.538 -0.025 20 0 FBADRP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)C[NH+]1CCN(C)CC1 ZINC000668581609 483836690 /nfs/dbraw/zinc/83/66/90/483836690.db2.gz HSQFMKZZVQYZST-JKSUJKDBSA-N 2 0 367.538 -0.025 20 0 FBADRP CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1)[C@H]1CC[N@H+](C)C1 ZINC000668582074 483837066 /nfs/dbraw/zinc/83/70/66/483837066.db2.gz QZTBSKSXGKLSQD-CVEARBPZSA-N 2 0 353.511 -0.461 20 0 FBADRP CCN(C(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)[C@H]1CC[N@H+](C)C1 ZINC000668582075 483837258 /nfs/dbraw/zinc/83/72/58/483837258.db2.gz QZTBSKSXGKLSQD-HOTGVXAUSA-N 2 0 353.511 -0.461 20 0 FBADRP CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000668582076 483837294 /nfs/dbraw/zinc/83/72/94/483837294.db2.gz QZTBSKSXGKLSQD-HZPDHXFCSA-N 2 0 353.511 -0.461 20 0 FBADRP CCN(C(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000668582077 483837242 /nfs/dbraw/zinc/83/72/42/483837242.db2.gz QZTBSKSXGKLSQD-JKSUJKDBSA-N 2 0 353.511 -0.461 20 0 FBADRP CCN(C(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)[C@@H]1CC[N@H+](CC)C1 ZINC000668582316 483837161 /nfs/dbraw/zinc/83/71/61/483837161.db2.gz VFDGECRDFUDBKP-DLBZAZTESA-N 2 0 367.538 -0.071 20 0 FBADRP CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1)[C@@H]1CC[N@H+](CC)C1 ZINC000668582317 483837223 /nfs/dbraw/zinc/83/72/23/483837223.db2.gz VFDGECRDFUDBKP-IAGOWNOFSA-N 2 0 367.538 -0.071 20 0 FBADRP CCN(C(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)[C@H]1CC[N@H+](CC)C1 ZINC000668582318 483837083 /nfs/dbraw/zinc/83/70/83/483837083.db2.gz VFDGECRDFUDBKP-IRXDYDNUSA-N 2 0 367.538 -0.071 20 0 FBADRP CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1)[C@H]1CC[N@H+](CC)C1 ZINC000668582319 483836943 /nfs/dbraw/zinc/83/69/43/483836943.db2.gz VFDGECRDFUDBKP-SJORKVTESA-N 2 0 367.538 -0.071 20 0 FBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H](C)C[NH+]2CCN(CC)CC2)C1 ZINC000668583002 483837873 /nfs/dbraw/zinc/83/78/73/483837873.db2.gz JTMBUQQFPNHXSQ-DLBZAZTESA-N 2 0 367.538 -0.023 20 0 FBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(CC)CC2)C1 ZINC000668583003 483837835 /nfs/dbraw/zinc/83/78/35/483837835.db2.gz JTMBUQQFPNHXSQ-IAGOWNOFSA-N 2 0 367.538 -0.023 20 0 FBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H](C)C[NH+]2CCN(CC)CC2)C1 ZINC000668583004 483837765 /nfs/dbraw/zinc/83/77/65/483837765.db2.gz JTMBUQQFPNHXSQ-IRXDYDNUSA-N 2 0 367.538 -0.023 20 0 FBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(CC)CC2)C1 ZINC000668583005 483837489 /nfs/dbraw/zinc/83/74/89/483837489.db2.gz JTMBUQQFPNHXSQ-SJORKVTESA-N 2 0 367.538 -0.023 20 0 FBADRP CCN(C(=O)C(=O)NC[C@H](C)C[NH+]1CCN(CC)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000668584492 483837822 /nfs/dbraw/zinc/83/78/22/483837822.db2.gz YADULLDWVURNTB-DLBZAZTESA-N 2 0 367.538 -0.071 20 0 FBADRP CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(CC)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000668584497 483837684 /nfs/dbraw/zinc/83/76/84/483837684.db2.gz YADULLDWVURNTB-IAGOWNOFSA-N 2 0 367.538 -0.071 20 0 FBADRP CCN(C(=O)C(=O)NC[C@H](C)C[NH+]1CCN(CC)CC1)[C@H]1CC[N@H+](C)C1 ZINC000668584500 483837732 /nfs/dbraw/zinc/83/77/32/483837732.db2.gz YADULLDWVURNTB-IRXDYDNUSA-N 2 0 367.538 -0.071 20 0 FBADRP CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(CC)CC1)[C@H]1CC[N@H+](C)C1 ZINC000668584504 483837806 /nfs/dbraw/zinc/83/78/06/483837806.db2.gz YADULLDWVURNTB-SJORKVTESA-N 2 0 367.538 -0.071 20 0 FBADRP O=C(N[C@@H]1CC[NH+]2CCCC[C@@H]12)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000668585039 483837796 /nfs/dbraw/zinc/83/77/96/483837796.db2.gz HTOVCSRIGZBCJS-BBWFWOEESA-N 2 0 364.490 -0.213 20 0 FBADRP O=C(N[C@@H]1CC[NH+]2CCCC[C@H]12)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000668585042 483837674 /nfs/dbraw/zinc/83/76/74/483837674.db2.gz HTOVCSRIGZBCJS-BRWVUGGUSA-N 2 0 364.490 -0.213 20 0 FBADRP O=C(N[C@@H]1CC[NH+]2CCCC[C@H]12)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000668585044 483837621 /nfs/dbraw/zinc/83/76/21/483837621.db2.gz HTOVCSRIGZBCJS-GVDBMIGSSA-N 2 0 364.490 -0.213 20 0 FBADRP O=C(N[C@@H]1CC[NH+]2CCCC[C@@H]12)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000668585047 483837520 /nfs/dbraw/zinc/83/75/20/483837520.db2.gz HTOVCSRIGZBCJS-ZACQAIPSSA-N 2 0 364.490 -0.213 20 0 FBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000668625280 483867881 /nfs/dbraw/zinc/86/78/81/483867881.db2.gz LKZMCCFCEISNRR-GDBMZVCRSA-N 2 0 354.495 -0.110 20 0 FBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000668625281 483867709 /nfs/dbraw/zinc/86/77/09/483867709.db2.gz LKZMCCFCEISNRR-GOEBONIOSA-N 2 0 354.495 -0.110 20 0 FBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000668625282 483867981 /nfs/dbraw/zinc/86/79/81/483867981.db2.gz LKZMCCFCEISNRR-HOCLYGCPSA-N 2 0 354.495 -0.110 20 0 FBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000668625283 483867896 /nfs/dbraw/zinc/86/78/96/483867896.db2.gz LKZMCCFCEISNRR-ZBFHGGJFSA-N 2 0 354.495 -0.110 20 0 FBADRP CC[NH+]1CCC(CNC(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000668634861 483874967 /nfs/dbraw/zinc/87/49/67/483874967.db2.gz DMYQBVGTFIYNAC-KRWDZBQOSA-N 2 0 366.506 -0.108 20 0 FBADRP CC[NH+]1CCC(CNC(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000668634862 483874879 /nfs/dbraw/zinc/87/48/79/483874879.db2.gz DMYQBVGTFIYNAC-QGZVFWFLSA-N 2 0 366.506 -0.108 20 0 FBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CCO1 ZINC000668670618 483903774 /nfs/dbraw/zinc/90/37/74/483903774.db2.gz JOPCKVBINAENOP-GDBMZVCRSA-N 2 0 352.479 -0.092 20 0 FBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CCO1 ZINC000668670620 483903870 /nfs/dbraw/zinc/90/38/70/483903870.db2.gz JOPCKVBINAENOP-GOEBONIOSA-N 2 0 352.479 -0.092 20 0 FBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CCO1 ZINC000668670622 483904224 /nfs/dbraw/zinc/90/42/24/483904224.db2.gz JOPCKVBINAENOP-HOCLYGCPSA-N 2 0 352.479 -0.092 20 0 FBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CCO1 ZINC000668670623 483903560 /nfs/dbraw/zinc/90/35/60/483903560.db2.gz JOPCKVBINAENOP-ZBFHGGJFSA-N 2 0 352.479 -0.092 20 0 FBADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000668670811 483905607 /nfs/dbraw/zinc/90/56/07/483905607.db2.gz MCNIWOYTSWAUPI-GDBMZVCRSA-N 2 0 350.463 -0.291 20 0 FBADRP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000668670813 483905419 /nfs/dbraw/zinc/90/54/19/483905419.db2.gz MCNIWOYTSWAUPI-GOEBONIOSA-N 2 0 350.463 -0.291 20 0 FBADRP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000668670814 483905234 /nfs/dbraw/zinc/90/52/34/483905234.db2.gz MCNIWOYTSWAUPI-HOCLYGCPSA-N 2 0 350.463 -0.291 20 0 FBADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000668670815 483904632 /nfs/dbraw/zinc/90/46/32/483904632.db2.gz MCNIWOYTSWAUPI-ZBFHGGJFSA-N 2 0 350.463 -0.291 20 0 FBADRP O=C(N[C@H]1CC[NH+](C2CC2)C1)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000668671305 483904656 /nfs/dbraw/zinc/90/46/56/483904656.db2.gz RRASXOLWCIEHIZ-BBRMVZONSA-N 2 0 350.463 -0.603 20 0 FBADRP O=C(N[C@@H]1CC[NH+](C2CC2)C1)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000668671306 483904720 /nfs/dbraw/zinc/90/47/20/483904720.db2.gz RRASXOLWCIEHIZ-CJNGLKHVSA-N 2 0 350.463 -0.603 20 0 FBADRP O=C(N[C@@H]1CC[NH+](C2CC2)C1)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000668671307 483905528 /nfs/dbraw/zinc/90/55/28/483905528.db2.gz RRASXOLWCIEHIZ-CZUORRHYSA-N 2 0 350.463 -0.603 20 0 FBADRP O=C(N[C@H]1CC[NH+](C2CC2)C1)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000668671309 483905497 /nfs/dbraw/zinc/90/54/97/483905497.db2.gz RRASXOLWCIEHIZ-XJKSGUPXSA-N 2 0 350.463 -0.603 20 0 FBADRP C[NH+]1CCC(CCNC(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000668682431 483933583 /nfs/dbraw/zinc/93/35/83/483933583.db2.gz GWWCTMYWZRUDAT-KRWDZBQOSA-N 2 0 366.506 -0.108 20 0 FBADRP C[NH+]1CCC(CCNC(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000668682432 483932835 /nfs/dbraw/zinc/93/28/35/483932835.db2.gz GWWCTMYWZRUDAT-QGZVFWFLSA-N 2 0 366.506 -0.108 20 0 FBADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000668731723 484023825 /nfs/dbraw/zinc/02/38/25/484023825.db2.gz PUNHKDYPUCSNQT-INIZCTEOSA-N 2 0 354.495 -0.108 20 0 FBADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000668731724 484025243 /nfs/dbraw/zinc/02/52/43/484025243.db2.gz PUNHKDYPUCSNQT-MRXNPFEDSA-N 2 0 354.495 -0.108 20 0 FBADRP CCN(C(=O)C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1)[C@H]1CC[N@H+](C)C1 ZINC000668744554 484072162 /nfs/dbraw/zinc/07/21/62/484072162.db2.gz PVKOFOLKUHDUHU-CABCVRRESA-N 2 0 367.494 -0.757 20 0 FBADRP CCN(C(=O)C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1)[C@H]1CC[N@H+](C)C1 ZINC000668744556 484072090 /nfs/dbraw/zinc/07/20/90/484072090.db2.gz PVKOFOLKUHDUHU-GJZGRUSLSA-N 2 0 367.494 -0.757 20 0 FBADRP CCN(C(=O)C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1)[C@@H]1CC[N@H+](C)C1 ZINC000668744558 484071310 /nfs/dbraw/zinc/07/13/10/484071310.db2.gz PVKOFOLKUHDUHU-HUUCEWRRSA-N 2 0 367.494 -0.757 20 0 FBADRP CCN(C(=O)C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1)[C@@H]1CC[N@H+](C)C1 ZINC000668744559 484072210 /nfs/dbraw/zinc/07/22/10/484072210.db2.gz PVKOFOLKUHDUHU-LSDHHAIUSA-N 2 0 367.494 -0.757 20 0 FBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000668745176 484074809 /nfs/dbraw/zinc/07/48/09/484074809.db2.gz WSWOASLBNMYENH-CABCVRRESA-N 2 0 367.494 -0.710 20 0 FBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000668745177 484073989 /nfs/dbraw/zinc/07/39/89/484073989.db2.gz WSWOASLBNMYENH-GJZGRUSLSA-N 2 0 367.494 -0.710 20 0 FBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000668745178 484074059 /nfs/dbraw/zinc/07/40/59/484074059.db2.gz WSWOASLBNMYENH-HUUCEWRRSA-N 2 0 367.494 -0.710 20 0 FBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000668745179 484074234 /nfs/dbraw/zinc/07/42/34/484074234.db2.gz WSWOASLBNMYENH-LSDHHAIUSA-N 2 0 367.494 -0.710 20 0 FBADRP COCC[N@H+](C)CCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000668750507 484104509 /nfs/dbraw/zinc/10/45/09/484104509.db2.gz IBOYQTKUPNNANS-HNNXBMFYSA-N 2 0 356.467 -0.950 20 0 FBADRP COCC[N@H+](C)CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000668750510 484104700 /nfs/dbraw/zinc/10/47/00/484104700.db2.gz IBOYQTKUPNNANS-OAHLLOKOSA-N 2 0 356.467 -0.950 20 0 FBADRP CC[N@H+](CCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)C1CC1 ZINC000668776611 484158265 /nfs/dbraw/zinc/15/82/65/484158265.db2.gz DOJKWTCRZYIKAE-INIZCTEOSA-N 2 0 352.479 -0.044 20 0 FBADRP CC[N@H+](CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)C1CC1 ZINC000668776612 484157797 /nfs/dbraw/zinc/15/77/97/484157797.db2.gz DOJKWTCRZYIKAE-MRXNPFEDSA-N 2 0 352.479 -0.044 20 0 FBADRP CC[N@H+](CCNC(=O)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1)C1CC1 ZINC000668777586 484160893 /nfs/dbraw/zinc/16/08/93/484160893.db2.gz RAWCZRGVSYWAMT-INIZCTEOSA-N 2 0 352.479 -0.356 20 0 FBADRP CC[N@H+](CCNC(=O)C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1)C1CC1 ZINC000668777587 484161399 /nfs/dbraw/zinc/16/13/99/484161399.db2.gz RAWCZRGVSYWAMT-MRXNPFEDSA-N 2 0 352.479 -0.356 20 0 FBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000668777610 484161868 /nfs/dbraw/zinc/16/18/68/484161868.db2.gz RSRYMGAIBAOFIQ-GDBMZVCRSA-N 2 0 354.495 -0.110 20 0 FBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000668777611 484160933 /nfs/dbraw/zinc/16/09/33/484160933.db2.gz RSRYMGAIBAOFIQ-GOEBONIOSA-N 2 0 354.495 -0.110 20 0 FBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000668777612 484161964 /nfs/dbraw/zinc/16/19/64/484161964.db2.gz RSRYMGAIBAOFIQ-HOCLYGCPSA-N 2 0 354.495 -0.110 20 0 FBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000668777613 484161623 /nfs/dbraw/zinc/16/16/23/484161623.db2.gz RSRYMGAIBAOFIQ-ZBFHGGJFSA-N 2 0 354.495 -0.110 20 0 FBADRP C[C@@H](CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)[N@H+](C)C1CC1 ZINC000668794307 484208601 /nfs/dbraw/zinc/20/86/01/484208601.db2.gz FMPMBBJWTMKXKD-BBRMVZONSA-N 2 0 352.479 -0.045 20 0 FBADRP C[C@H](CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)[N@H+](C)C1CC1 ZINC000668794308 484208713 /nfs/dbraw/zinc/20/87/13/484208713.db2.gz FMPMBBJWTMKXKD-CJNGLKHVSA-N 2 0 352.479 -0.045 20 0 FBADRP C[C@H](CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)[N@H+](C)C1CC1 ZINC000668794309 484208852 /nfs/dbraw/zinc/20/88/52/484208852.db2.gz FMPMBBJWTMKXKD-CZUORRHYSA-N 2 0 352.479 -0.045 20 0 FBADRP C[C@@H](CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)[N@H+](C)C1CC1 ZINC000668794310 484209160 /nfs/dbraw/zinc/20/91/60/484209160.db2.gz FMPMBBJWTMKXKD-XJKSGUPXSA-N 2 0 352.479 -0.045 20 0 FBADRP C[C@@H](CNC(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)[NH+](C)C1CC1 ZINC000668795995 484211830 /nfs/dbraw/zinc/21/18/30/484211830.db2.gz MDCJMLYOHNONDB-BBRMVZONSA-N 2 0 352.479 -0.357 20 0 FBADRP C[C@H](CNC(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)[NH+](C)C1CC1 ZINC000668795996 484212166 /nfs/dbraw/zinc/21/21/66/484212166.db2.gz MDCJMLYOHNONDB-CJNGLKHVSA-N 2 0 352.479 -0.357 20 0 FBADRP C[C@H](CNC(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)[NH+](C)C1CC1 ZINC000668795997 484214353 /nfs/dbraw/zinc/21/43/53/484214353.db2.gz MDCJMLYOHNONDB-CZUORRHYSA-N 2 0 352.479 -0.357 20 0 FBADRP C[C@@H](CNC(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)[NH+](C)C1CC1 ZINC000668795998 484213692 /nfs/dbraw/zinc/21/36/92/484213692.db2.gz MDCJMLYOHNONDB-XJKSGUPXSA-N 2 0 352.479 -0.357 20 0 FBADRP O=C(N[C@H]1CC[NH+](CC2CC2)C1)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000668826692 484298039 /nfs/dbraw/zinc/29/80/39/484298039.db2.gz JEHBGDJKKFPIKP-DOTOQJQBSA-N 2 0 364.490 -0.356 20 0 FBADRP O=C(N[C@@H]1CC[NH+](CC2CC2)C1)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000668826693 484299033 /nfs/dbraw/zinc/29/90/33/484299033.db2.gz JEHBGDJKKFPIKP-NVXWUHKLSA-N 2 0 364.490 -0.356 20 0 FBADRP O=C(N[C@H]1CC[NH+](CC2CC2)C1)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000668826694 484299095 /nfs/dbraw/zinc/29/90/95/484299095.db2.gz JEHBGDJKKFPIKP-RDJZCZTQSA-N 2 0 364.490 -0.356 20 0 FBADRP O=C(N[C@@H]1CC[NH+](CC2CC2)C1)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000668826695 484299202 /nfs/dbraw/zinc/29/92/02/484299202.db2.gz JEHBGDJKKFPIKP-WBVHZDCISA-N 2 0 364.490 -0.356 20 0 FBADRP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000668827310 484300221 /nfs/dbraw/zinc/30/02/21/484300221.db2.gz UCCQKGHZCXSMHM-DLBZAZTESA-N 2 0 364.490 -0.044 20 0 FBADRP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000668827311 484300710 /nfs/dbraw/zinc/30/07/10/484300710.db2.gz UCCQKGHZCXSMHM-IAGOWNOFSA-N 2 0 364.490 -0.044 20 0 FBADRP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000668827312 484299870 /nfs/dbraw/zinc/29/98/70/484299870.db2.gz UCCQKGHZCXSMHM-IRXDYDNUSA-N 2 0 364.490 -0.044 20 0 FBADRP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000668827313 484300481 /nfs/dbraw/zinc/30/04/81/484300481.db2.gz UCCQKGHZCXSMHM-SJORKVTESA-N 2 0 364.490 -0.044 20 0 FBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)C1 ZINC000668840163 484364676 /nfs/dbraw/zinc/36/46/76/484364676.db2.gz FCDVKMPXMCMUGD-CVEARBPZSA-N 2 0 370.494 -0.608 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)C1 ZINC000668840165 484365089 /nfs/dbraw/zinc/36/50/89/484365089.db2.gz FCDVKMPXMCMUGD-HOTGVXAUSA-N 2 0 370.494 -0.608 20 0 FBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)C1 ZINC000668840166 484364512 /nfs/dbraw/zinc/36/45/12/484364512.db2.gz FCDVKMPXMCMUGD-HZPDHXFCSA-N 2 0 370.494 -0.608 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)C1 ZINC000668840168 484365063 /nfs/dbraw/zinc/36/50/63/484365063.db2.gz FCDVKMPXMCMUGD-JKSUJKDBSA-N 2 0 370.494 -0.608 20 0 FBADRP CCN(C(=O)C(=O)NC1CCN(CC(=O)N(C)C)CC1)[C@H]1CC[N@H+](C)C1 ZINC000668862890 484420102 /nfs/dbraw/zinc/42/01/02/484420102.db2.gz DYWOHJAFWVRQQJ-HNNXBMFYSA-N 2 0 367.494 -0.792 20 0 FBADRP CCN(C(=O)C(=O)NC1CCN(CC(=O)N(C)C)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000668862903 484419505 /nfs/dbraw/zinc/41/95/05/484419505.db2.gz DYWOHJAFWVRQQJ-OAHLLOKOSA-N 2 0 367.494 -0.792 20 0 FBADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000668891383 483479638 /nfs/dbraw/zinc/47/96/38/483479638.db2.gz BKIOGNDGVRSINK-CVEARBPZSA-N 2 0 353.511 -0.415 20 0 FBADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000668891388 483479068 /nfs/dbraw/zinc/47/90/68/483479068.db2.gz BKIOGNDGVRSINK-HOTGVXAUSA-N 2 0 353.511 -0.415 20 0 FBADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000668891389 483478811 /nfs/dbraw/zinc/47/88/11/483478811.db2.gz BKIOGNDGVRSINK-HZPDHXFCSA-N 2 0 353.511 -0.415 20 0 FBADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000668891393 483478793 /nfs/dbraw/zinc/47/87/93/483478793.db2.gz BKIOGNDGVRSINK-JKSUJKDBSA-N 2 0 353.511 -0.415 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000668892271 483481976 /nfs/dbraw/zinc/48/19/76/483481976.db2.gz GATCOIWHSCKXQN-KRWDZBQOSA-N 2 0 365.522 -0.413 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000668892272 483481881 /nfs/dbraw/zinc/48/18/81/483481881.db2.gz GATCOIWHSCKXQN-QGZVFWFLSA-N 2 0 365.522 -0.413 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000668892918 483484748 /nfs/dbraw/zinc/48/47/48/483484748.db2.gz KZXQEQIGRCTRNO-DOTOQJQBSA-N 2 0 365.522 -0.128 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000668892919 483484800 /nfs/dbraw/zinc/48/48/00/483484800.db2.gz KZXQEQIGRCTRNO-NVXWUHKLSA-N 2 0 365.522 -0.128 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000668892920 483485037 /nfs/dbraw/zinc/48/50/37/483485037.db2.gz KZXQEQIGRCTRNO-RDJZCZTQSA-N 2 0 365.522 -0.128 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000668892921 483484706 /nfs/dbraw/zinc/48/47/06/483484706.db2.gz KZXQEQIGRCTRNO-WBVHZDCISA-N 2 0 365.522 -0.128 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NCc1cccnc1N1CCCC1 ZINC000668893642 483485799 /nfs/dbraw/zinc/48/57/99/483485799.db2.gz QRJNZEDAWNASPG-INIZCTEOSA-N 2 0 374.489 -0.340 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NCc1cccnc1N1CCCC1 ZINC000668893643 483486219 /nfs/dbraw/zinc/48/62/19/483486219.db2.gz QRJNZEDAWNASPG-MRXNPFEDSA-N 2 0 374.489 -0.340 20 0 FBADRP CCN(C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)[C@@H]1CC[N@H+](C)C1 ZINC000668910139 483523130 /nfs/dbraw/zinc/52/31/30/483523130.db2.gz DVRIGYKKUPMKLZ-DOTOQJQBSA-N 2 0 365.522 -0.176 20 0 FBADRP CCN(C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)[C@@H]1CC[N@H+](C)C1 ZINC000668910140 483521934 /nfs/dbraw/zinc/52/19/34/483521934.db2.gz DVRIGYKKUPMKLZ-NVXWUHKLSA-N 2 0 365.522 -0.176 20 0 FBADRP CCN(C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)[C@H]1CC[N@H+](C)C1 ZINC000668910141 483522107 /nfs/dbraw/zinc/52/21/07/483522107.db2.gz DVRIGYKKUPMKLZ-RDJZCZTQSA-N 2 0 365.522 -0.176 20 0 FBADRP CCN(C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)[C@H]1CC[N@H+](C)C1 ZINC000668910142 483522508 /nfs/dbraw/zinc/52/25/08/483522508.db2.gz DVRIGYKKUPMKLZ-WBVHZDCISA-N 2 0 365.522 -0.176 20 0 FBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000668911264 483527176 /nfs/dbraw/zinc/52/71/76/483527176.db2.gz QQZPNBMIOHQPLS-CVEARBPZSA-N 2 0 365.522 -0.128 20 0 FBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000668911266 483525545 /nfs/dbraw/zinc/52/55/45/483525545.db2.gz QQZPNBMIOHQPLS-HOTGVXAUSA-N 2 0 365.522 -0.128 20 0 FBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000668911269 483526566 /nfs/dbraw/zinc/52/65/66/483526566.db2.gz QQZPNBMIOHQPLS-HZPDHXFCSA-N 2 0 365.522 -0.128 20 0 FBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000668911270 483526194 /nfs/dbraw/zinc/52/61/94/483526194.db2.gz QQZPNBMIOHQPLS-JKSUJKDBSA-N 2 0 365.522 -0.128 20 0 FBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)C1 ZINC000668991707 483700907 /nfs/dbraw/zinc/70/09/07/483700907.db2.gz HMOPPCTTZKPXRR-HNNXBMFYSA-N 2 0 353.511 -0.271 20 0 FBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)C1 ZINC000668991714 483701312 /nfs/dbraw/zinc/70/13/12/483701312.db2.gz HMOPPCTTZKPXRR-OAHLLOKOSA-N 2 0 353.511 -0.271 20 0 FBADRP CCN(C(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1)[C@H]1CC[N@H+](C)C1 ZINC000668992552 483701617 /nfs/dbraw/zinc/70/16/17/483701617.db2.gz QHKHZZMMMHBJMQ-HNNXBMFYSA-N 2 0 353.511 -0.319 20 0 FBADRP CCN(C(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1)[C@@H]1CC[N@H+](C)C1 ZINC000668992553 483701258 /nfs/dbraw/zinc/70/12/58/483701258.db2.gz QHKHZZMMMHBJMQ-OAHLLOKOSA-N 2 0 353.511 -0.319 20 0 FBADRP CN1CCN(C(=O)NCC2(NS(C)(=O)=O)CCCCC2)[C@H](C[NH3+])C1 ZINC000669017325 483747967 /nfs/dbraw/zinc/74/79/67/483747967.db2.gz COCWNIZCAHCCCD-CYBMUJFWSA-N 2 0 361.512 -0.477 20 0 FBADRP CN1CCN(C(=O)NCC2(NS(C)(=O)=O)CCCCC2)[C@@H](C[NH3+])C1 ZINC000669017326 483748466 /nfs/dbraw/zinc/74/84/66/483748466.db2.gz COCWNIZCAHCCCD-ZDUSSCGKSA-N 2 0 361.512 -0.477 20 0 FBADRP C[NH+](C)C1(CNC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CCC1 ZINC000669026437 483752552 /nfs/dbraw/zinc/75/25/52/483752552.db2.gz HCTLNMCULKQTDH-HNNXBMFYSA-N 2 0 352.479 -0.044 20 0 FBADRP C[NH+](C)C1(CNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CCC1 ZINC000669026438 483752445 /nfs/dbraw/zinc/75/24/45/483752445.db2.gz HCTLNMCULKQTDH-OAHLLOKOSA-N 2 0 352.479 -0.044 20 0 FBADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)CCC1 ZINC000669027550 483752413 /nfs/dbraw/zinc/75/24/13/483752413.db2.gz OPYWZFPCBAGZAE-HNNXBMFYSA-N 2 0 352.479 -0.356 20 0 FBADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CCC1 ZINC000669027554 483752230 /nfs/dbraw/zinc/75/22/30/483752230.db2.gz OPYWZFPCBAGZAE-OAHLLOKOSA-N 2 0 352.479 -0.356 20 0 FBADRP COCCC[N@H+](C)CCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000669103385 483818405 /nfs/dbraw/zinc/81/84/05/483818405.db2.gz BLLZXIIWTQIUHA-INIZCTEOSA-N 2 0 370.494 -0.560 20 0 FBADRP COCCC[N@H+](C)CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000669103386 483818371 /nfs/dbraw/zinc/81/83/71/483818371.db2.gz BLLZXIIWTQIUHA-MRXNPFEDSA-N 2 0 370.494 -0.560 20 0 FBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000669103474 483818711 /nfs/dbraw/zinc/81/87/11/483818711.db2.gz QXBNAHJVPHSQFZ-INIZCTEOSA-N 2 0 370.494 -0.872 20 0 FBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000669103475 483818787 /nfs/dbraw/zinc/81/87/87/483818787.db2.gz QXBNAHJVPHSQFZ-MRXNPFEDSA-N 2 0 370.494 -0.872 20 0 FBADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000669221532 483899615 /nfs/dbraw/zinc/89/96/15/483899615.db2.gz SOUFFOZBPUCXFV-INIZCTEOSA-N 2 0 354.495 -0.108 20 0 FBADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000669221533 483900067 /nfs/dbraw/zinc/90/00/67/483900067.db2.gz SOUFFOZBPUCXFV-MRXNPFEDSA-N 2 0 354.495 -0.108 20 0 FBADRP CN1CCC(CNC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)([NH+]2CCCCC2)CC1 ZINC000669253144 483926043 /nfs/dbraw/zinc/92/60/43/483926043.db2.gz WDUDGFQNZMVSCT-BRWVUGGUSA-N 2 0 367.490 -0.534 20 0 FBADRP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000669486483 484091723 /nfs/dbraw/zinc/09/17/23/484091723.db2.gz PIJDCJIIIPLHEP-BBWFWOEESA-N 2 0 351.495 -0.071 20 0 FBADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000669486484 484091132 /nfs/dbraw/zinc/09/11/32/484091132.db2.gz PIJDCJIIIPLHEP-IXDOHACOSA-N 2 0 351.495 -0.071 20 0 FBADRP CC[NH+](CC)CCNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000670471504 485043527 /nfs/dbraw/zinc/04/35/27/485043527.db2.gz BXZYSHWZMRIIMG-HNNXBMFYSA-N 2 0 353.511 -0.271 20 0 FBADRP CC[NH+](CC)CCNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000670471505 485044096 /nfs/dbraw/zinc/04/40/96/485044096.db2.gz BXZYSHWZMRIIMG-OAHLLOKOSA-N 2 0 353.511 -0.271 20 0 FBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000670473024 485061153 /nfs/dbraw/zinc/06/11/53/485061153.db2.gz WDHLSKPFODVLRU-INIZCTEOSA-N 2 0 353.511 -0.317 20 0 FBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000670473039 485061549 /nfs/dbraw/zinc/06/15/49/485061549.db2.gz WDHLSKPFODVLRU-MRXNPFEDSA-N 2 0 353.511 -0.317 20 0 FBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCCCn3ccnc3)CC2)C1 ZINC000670479244 485098669 /nfs/dbraw/zinc/09/86/69/485098669.db2.gz BEWQTKVLLVRXDX-INIZCTEOSA-N 2 0 362.478 -0.372 20 0 FBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCCCn3ccnc3)CC2)C1 ZINC000670479245 485099228 /nfs/dbraw/zinc/09/92/28/485099228.db2.gz BEWQTKVLLVRXDX-MRXNPFEDSA-N 2 0 362.478 -0.372 20 0 FBADRP C[NH+]1CCC(NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000670545963 483467887 /nfs/dbraw/zinc/46/78/87/483467887.db2.gz FJGZISUTLLOIKQ-INIZCTEOSA-N 2 0 351.495 -0.565 20 0 FBADRP C[NH+]1CCC(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000670545964 483466993 /nfs/dbraw/zinc/46/69/93/483466993.db2.gz FJGZISUTLLOIKQ-MRXNPFEDSA-N 2 0 351.495 -0.565 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H](C)[C@H]2CN(C)CCO2)C1 ZINC000670671723 483828064 /nfs/dbraw/zinc/82/80/64/483828064.db2.gz WUIOMZJTNARRBL-ARFHVFGLSA-N 2 0 370.494 -0.705 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H](C)[C@H]2CN(C)CCO2)C1 ZINC000670671724 483828416 /nfs/dbraw/zinc/82/84/16/483828416.db2.gz WUIOMZJTNARRBL-BZUAXINKSA-N 2 0 370.494 -0.705 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H](C)[C@@H]2CN(C)CCO2)C1 ZINC000670671725 483828454 /nfs/dbraw/zinc/82/84/54/483828454.db2.gz WUIOMZJTNARRBL-OAGGEKHMSA-N 2 0 370.494 -0.705 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]2CN(C)CCO2)C1 ZINC000670671726 483828433 /nfs/dbraw/zinc/82/84/33/483828433.db2.gz WUIOMZJTNARRBL-XHSDSOJGSA-N 2 0 370.494 -0.705 20 0 FBADRP C[N@@H+]1CCC[C@H](NC(=O)C(=O)NCc2ccc(N3CCOCC3)nc2)C1 ZINC000670770918 484128020 /nfs/dbraw/zinc/12/80/20/484128020.db2.gz HXHZPKGJRKOPLJ-HNNXBMFYSA-N 2 0 361.446 -0.255 20 0 FBADRP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NCc2ccc(N3CCOCC3)nc2)C1 ZINC000670770919 484128216 /nfs/dbraw/zinc/12/82/16/484128216.db2.gz HXHZPKGJRKOPLJ-OAHLLOKOSA-N 2 0 361.446 -0.255 20 0 FBADRP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3CCC[N@H+](C)C3)cn2)CC1 ZINC000670786772 484236146 /nfs/dbraw/zinc/23/61/46/484236146.db2.gz DULGKMNZCZUFQE-INIZCTEOSA-N 2 0 374.489 -0.340 20 0 FBADRP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CCC[N@H+](C)C3)cn2)CC1 ZINC000670786773 484234390 /nfs/dbraw/zinc/23/43/90/484234390.db2.gz DULGKMNZCZUFQE-MRXNPFEDSA-N 2 0 374.489 -0.340 20 0 FBADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000670877861 484281468 /nfs/dbraw/zinc/28/14/68/484281468.db2.gz MHZFQUXPSKQVTB-KRWDZBQOSA-N 2 0 365.522 -0.271 20 0 FBADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000670877862 484281911 /nfs/dbraw/zinc/28/19/11/484281911.db2.gz MHZFQUXPSKQVTB-QGZVFWFLSA-N 2 0 365.522 -0.271 20 0 FBADRP C[C@H](NC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1)C1CC[NH+](C)CC1 ZINC000670878267 484282209 /nfs/dbraw/zinc/28/22/09/484282209.db2.gz DCNHLTCKUBIXAQ-HNNXBMFYSA-N 2 0 367.538 -0.025 20 0 FBADRP C[C@@H](NC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1)C1CC[NH+](C)CC1 ZINC000670878268 484282235 /nfs/dbraw/zinc/28/22/35/484282235.db2.gz DCNHLTCKUBIXAQ-OAHLLOKOSA-N 2 0 367.538 -0.025 20 0 FBADRP C[NH+]1CCN(c2cc(CNC(=O)C(=O)N[C@H]3CCC[N@H+](C)C3)ccn2)CC1 ZINC000670892434 484314885 /nfs/dbraw/zinc/31/48/85/484314885.db2.gz XMALWHZCETXXCN-INIZCTEOSA-N 2 0 374.489 -0.340 20 0 FBADRP C[NH+]1CCN(c2cc(CNC(=O)C(=O)N[C@@H]3CCC[N@H+](C)C3)ccn2)CC1 ZINC000670892435 484315573 /nfs/dbraw/zinc/31/55/73/484315573.db2.gz XMALWHZCETXXCN-MRXNPFEDSA-N 2 0 374.489 -0.340 20 0 FBADRP O=C(NCCCC[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000671032009 484552459 /nfs/dbraw/zinc/55/24/59/484552459.db2.gz UDLTYZQNWAWNKG-INIZCTEOSA-N 2 0 352.479 -0.185 20 0 FBADRP O=C(NCCCC[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000671032010 484552500 /nfs/dbraw/zinc/55/25/00/484552500.db2.gz UDLTYZQNWAWNKG-MRXNPFEDSA-N 2 0 352.479 -0.185 20 0 FBADRP O=C(NCCCC[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671032143 484550765 /nfs/dbraw/zinc/55/07/65/484550765.db2.gz DUHWCBOOKVSQOQ-CVEARBPZSA-N 2 0 352.479 -0.042 20 0 FBADRP O=C(NCCCC[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671032144 484550374 /nfs/dbraw/zinc/55/03/74/484550374.db2.gz DUHWCBOOKVSQOQ-HOTGVXAUSA-N 2 0 352.479 -0.042 20 0 FBADRP O=C(NCCCC[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671032145 484550502 /nfs/dbraw/zinc/55/05/02/484550502.db2.gz DUHWCBOOKVSQOQ-HZPDHXFCSA-N 2 0 352.479 -0.042 20 0 FBADRP O=C(NCCCC[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671032146 484551009 /nfs/dbraw/zinc/55/10/09/484551009.db2.gz DUHWCBOOKVSQOQ-JKSUJKDBSA-N 2 0 352.479 -0.042 20 0 FBADRP CN1CC[NH+](CCCCNC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000671032974 484555604 /nfs/dbraw/zinc/55/56/04/484555604.db2.gz VUYZKSIHBLFKNQ-KRWDZBQOSA-N 2 0 365.522 -0.269 20 0 FBADRP CN1CC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000671032975 484556581 /nfs/dbraw/zinc/55/65/81/484556581.db2.gz VUYZKSIHBLFKNQ-QGZVFWFLSA-N 2 0 365.522 -0.269 20 0 FBADRP CC1=CC[N@H+](CCNC(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)CC1 ZINC000671033280 484556298 /nfs/dbraw/zinc/55/62/98/484556298.db2.gz HKWKWZLANBGMEY-UHFFFAOYSA-N 2 0 365.522 -0.102 20 0 FBADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N[C@@H]3CCc4n[nH]cc4C3)C2)CC1 ZINC000671094170 484236177 /nfs/dbraw/zinc/23/61/77/484236177.db2.gz VUGSAXUHPDOZLW-CABCVRRESA-N 2 0 374.489 -0.332 20 0 FBADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N[C@H]3CCc4n[nH]cc4C3)C2)CC1 ZINC000671094171 484235501 /nfs/dbraw/zinc/23/55/01/484235501.db2.gz VUGSAXUHPDOZLW-GJZGRUSLSA-N 2 0 374.489 -0.332 20 0 FBADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCc4n[nH]cc4C3)C2)CC1 ZINC000671094172 484235113 /nfs/dbraw/zinc/23/51/13/484235113.db2.gz VUGSAXUHPDOZLW-HUUCEWRRSA-N 2 0 374.489 -0.332 20 0 FBADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N[C@H]3CCc4n[nH]cc4C3)C2)CC1 ZINC000671094173 484236220 /nfs/dbraw/zinc/23/62/20/484236220.db2.gz VUGSAXUHPDOZLW-LSDHHAIUSA-N 2 0 374.489 -0.332 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671100366 484243155 /nfs/dbraw/zinc/24/31/55/484243155.db2.gz LGURZGPRHXINTQ-CVEARBPZSA-N 3 0 353.511 -0.319 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671100368 484244086 /nfs/dbraw/zinc/24/40/86/484244086.db2.gz LGURZGPRHXINTQ-HOTGVXAUSA-N 3 0 353.511 -0.319 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671100370 484244347 /nfs/dbraw/zinc/24/43/47/484244347.db2.gz LGURZGPRHXINTQ-HZPDHXFCSA-N 3 0 353.511 -0.319 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671100371 484244000 /nfs/dbraw/zinc/24/40/00/484244000.db2.gz LGURZGPRHXINTQ-JKSUJKDBSA-N 3 0 353.511 -0.319 20 0 FBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000671101773 484244180 /nfs/dbraw/zinc/24/41/80/484244180.db2.gz LJBIGVKAIANGGB-ARFHVFGLSA-N 2 0 352.479 -0.044 20 0 FBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000671101775 484244057 /nfs/dbraw/zinc/24/40/57/484244057.db2.gz LJBIGVKAIANGGB-BZUAXINKSA-N 2 0 352.479 -0.044 20 0 FBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000671101778 484244118 /nfs/dbraw/zinc/24/41/18/484244118.db2.gz LJBIGVKAIANGGB-HRCADAONSA-N 2 0 352.479 -0.044 20 0 FBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000671101780 484243317 /nfs/dbraw/zinc/24/33/17/484243317.db2.gz LJBIGVKAIANGGB-OWCLPIDISA-N 2 0 352.479 -0.044 20 0 FBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N[C@@H]2CC[NH+]3CCC[C@H]3C2)CC1(C)C ZINC000671107060 484250476 /nfs/dbraw/zinc/25/04/76/484250476.db2.gz MDUOIFGAKBJUMJ-CVEARBPZSA-N 2 0 365.522 -0.128 20 0 FBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N[C@H]2CC[NH+]3CCC[C@H]3C2)CC1(C)C ZINC000671107061 484250139 /nfs/dbraw/zinc/25/01/39/484250139.db2.gz MDUOIFGAKBJUMJ-HOTGVXAUSA-N 2 0 365.522 -0.128 20 0 FBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N[C@@H]2CC[NH+]3CCC[C@@H]3C2)CC1(C)C ZINC000671107062 484250386 /nfs/dbraw/zinc/25/03/86/484250386.db2.gz MDUOIFGAKBJUMJ-HZPDHXFCSA-N 2 0 365.522 -0.128 20 0 FBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N[C@H]2CC[NH+]3CCC[C@@H]3C2)CC1(C)C ZINC000671107063 484249204 /nfs/dbraw/zinc/24/92/04/484249204.db2.gz MDUOIFGAKBJUMJ-JKSUJKDBSA-N 2 0 365.522 -0.128 20 0 FBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000671134661 484525772 /nfs/dbraw/zinc/52/57/72/484525772.db2.gz HDZVINGGLUCPLC-UHFFFAOYSA-N 2 0 363.462 -0.185 20 0 FBADRP Cn1ncc2c1CCC[C@@H]2NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000671144691 484550412 /nfs/dbraw/zinc/55/04/12/484550412.db2.gz PNDQZGKORGZXDQ-HNNXBMFYSA-N 2 0 364.494 -0.135 20 0 FBADRP Cn1ncc2c1CCC[C@H]2NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000671144692 484549635 /nfs/dbraw/zinc/54/96/35/484549635.db2.gz PNDQZGKORGZXDQ-OAHLLOKOSA-N 2 0 364.494 -0.135 20 0 FBADRP C[C@H](CNC(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1)C[NH+]1CCN(C)CC1 ZINC000671172654 484593375 /nfs/dbraw/zinc/59/33/75/484593375.db2.gz HLXUGGPYGCWDPZ-CVEARBPZSA-N 2 0 367.538 -0.167 20 0 FBADRP C[C@@H](CNC(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1)C[NH+]1CCN(C)CC1 ZINC000671172655 484594005 /nfs/dbraw/zinc/59/40/05/484594005.db2.gz HLXUGGPYGCWDPZ-HOTGVXAUSA-N 2 0 367.538 -0.167 20 0 FBADRP C[C@H](CNC(=O)C(=O)N[C@H](C)C1CC[NH+](C)CC1)C[NH+]1CCN(C)CC1 ZINC000671172656 484592705 /nfs/dbraw/zinc/59/27/05/484592705.db2.gz HLXUGGPYGCWDPZ-HZPDHXFCSA-N 2 0 367.538 -0.167 20 0 FBADRP C[C@@H](NC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)C1CC[NH+](C)CC1 ZINC000671172657 484593186 /nfs/dbraw/zinc/59/31/86/484593186.db2.gz HLXUGGPYGCWDPZ-JKSUJKDBSA-N 2 0 367.538 -0.167 20 0 FBADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000671172718 484592933 /nfs/dbraw/zinc/59/29/33/484592933.db2.gz YGGBTCKBHQEVCI-DLBZAZTESA-N 2 0 367.538 -0.214 20 0 FBADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000671172719 484592973 /nfs/dbraw/zinc/59/29/73/484592973.db2.gz YGGBTCKBHQEVCI-IAGOWNOFSA-N 2 0 367.538 -0.214 20 0 FBADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000671172720 484592889 /nfs/dbraw/zinc/59/28/89/484592889.db2.gz YGGBTCKBHQEVCI-IRXDYDNUSA-N 2 0 367.538 -0.214 20 0 FBADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000671172721 484593858 /nfs/dbraw/zinc/59/38/58/484593858.db2.gz YGGBTCKBHQEVCI-SJORKVTESA-N 2 0 367.538 -0.214 20 0 FBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N(C)CC[N@H+](C)C2CC2)CC1 ZINC000671173520 484595294 /nfs/dbraw/zinc/59/52/94/484595294.db2.gz ZGHVWDXFZVYOEK-INIZCTEOSA-N 2 0 367.538 -0.071 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N(C)CC[N@H+](C)C2CC2)CC1 ZINC000671173521 484595469 /nfs/dbraw/zinc/59/54/69/484595469.db2.gz ZGHVWDXFZVYOEK-MRXNPFEDSA-N 2 0 367.538 -0.071 20 0 FBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCC[N@H+](CC)CC2)CC1 ZINC000671173841 484596716 /nfs/dbraw/zinc/59/67/16/484596716.db2.gz NQXIQJHJPNRGNN-KRWDZBQOSA-N 2 0 367.538 -0.070 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCC[N@H+](CC)CC2)CC1 ZINC000671173842 484596505 /nfs/dbraw/zinc/59/65/05/484596505.db2.gz NQXIQJHJPNRGNN-QGZVFWFLSA-N 2 0 367.538 -0.070 20 0 FBADRP CN1CC[NH+](CCCCNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000671182750 484599549 /nfs/dbraw/zinc/59/95/49/484599549.db2.gz SRRKNACHARDTNF-DLBZAZTESA-N 2 0 365.522 -0.127 20 0 FBADRP CN1CC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000671182751 484599274 /nfs/dbraw/zinc/59/92/74/484599274.db2.gz SRRKNACHARDTNF-IAGOWNOFSA-N 2 0 365.522 -0.127 20 0 FBADRP CN1CC[NH+](CCCCNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000671182752 484598841 /nfs/dbraw/zinc/59/88/41/484598841.db2.gz SRRKNACHARDTNF-IRXDYDNUSA-N 2 0 365.522 -0.127 20 0 FBADRP CN1CC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000671182753 484599165 /nfs/dbraw/zinc/59/91/65/484599165.db2.gz SRRKNACHARDTNF-SJORKVTESA-N 2 0 365.522 -0.127 20 0 FBADRP COCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000671373639 484545318 /nfs/dbraw/zinc/54/53/18/484545318.db2.gz XWEOGNLUALKVLK-INIZCTEOSA-N 2 0 352.479 -0.186 20 0 FBADRP COCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000671373640 484546213 /nfs/dbraw/zinc/54/62/13/484546213.db2.gz XWEOGNLUALKVLK-MRXNPFEDSA-N 2 0 352.479 -0.186 20 0 FBADRP C[C@@H](NC(=O)C(=O)NCCN1Cc2ccccc2C1)[C@@H]1CN(C)CCO1 ZINC000671399328 484868896 /nfs/dbraw/zinc/86/88/96/484868896.db2.gz XVDIIPVAOSYGQK-PBHICJAKSA-N 2 0 360.458 -0.046 20 0 FBADRP C[C@@H](NC(=O)C(=O)NCCN1Cc2ccccc2C1)[C@H]1CN(C)CCO1 ZINC000671399329 484869251 /nfs/dbraw/zinc/86/92/51/484869251.db2.gz XVDIIPVAOSYGQK-RHSMWYFYSA-N 2 0 360.458 -0.046 20 0 FBADRP C[C@H](NC(=O)C(=O)NCCN1Cc2ccccc2C1)[C@H]1CN(C)CCO1 ZINC000671399330 484869858 /nfs/dbraw/zinc/86/98/58/484869858.db2.gz XVDIIPVAOSYGQK-WMLDXEAASA-N 2 0 360.458 -0.046 20 0 FBADRP C[C@H](NC(=O)C(=O)NCCN1Cc2ccccc2C1)[C@@H]1CN(C)CCO1 ZINC000671399331 484869774 /nfs/dbraw/zinc/86/97/74/484869774.db2.gz XVDIIPVAOSYGQK-YOEHRIQHSA-N 2 0 360.458 -0.046 20 0 FBADRP C[N@H+](CCNC(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1)C1CC1 ZINC000671418585 484891685 /nfs/dbraw/zinc/89/16/85/484891685.db2.gz BEWRMALOFNTKHC-INIZCTEOSA-N 2 0 351.495 -0.565 20 0 FBADRP C[N@H+](CCNC(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1)C1CC1 ZINC000671418586 484890606 /nfs/dbraw/zinc/89/06/06/484890606.db2.gz BEWRMALOFNTKHC-MRXNPFEDSA-N 2 0 351.495 -0.565 20 0 FBADRP CN(C(=O)C(=O)NCC[N@H+](C)C1CC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671418591 484891098 /nfs/dbraw/zinc/89/10/98/484891098.db2.gz DTQYIHGYMNXTIJ-KRWDZBQOSA-N 2 0 365.522 -0.176 20 0 FBADRP CN(C(=O)C(=O)NCC[N@H+](C)C1CC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671418592 484890970 /nfs/dbraw/zinc/89/09/70/484890970.db2.gz DTQYIHGYMNXTIJ-QGZVFWFLSA-N 2 0 365.522 -0.176 20 0 FBADRP C[N@H+](CCNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)C1CC1 ZINC000671418636 484891160 /nfs/dbraw/zinc/89/11/60/484891160.db2.gz ZDAXRJHCFPCZEC-AWEZNQCLSA-N 2 0 351.495 -0.519 20 0 FBADRP C[N@H+](CCNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)C1CC1 ZINC000671418637 484890826 /nfs/dbraw/zinc/89/08/26/484890826.db2.gz ZDAXRJHCFPCZEC-CQSZACIVSA-N 2 0 351.495 -0.519 20 0 FBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N[C@H]3CC[NH+](C4CC4)C3)CC2)C1 ZINC000671816963 483443035 /nfs/dbraw/zinc/44/30/35/483443035.db2.gz HWPLXWBWSIGMSG-DOTOQJQBSA-N 2 0 363.506 -0.422 20 0 FBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N[C@@H]3CC[NH+](C4CC4)C3)CC2)C1 ZINC000671816964 483446218 /nfs/dbraw/zinc/44/62/18/483446218.db2.gz HWPLXWBWSIGMSG-NVXWUHKLSA-N 2 0 363.506 -0.422 20 0 FBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@H]3CC[NH+](C4CC4)C3)CC2)C1 ZINC000671816965 483446245 /nfs/dbraw/zinc/44/62/45/483446245.db2.gz HWPLXWBWSIGMSG-RDJZCZTQSA-N 2 0 363.506 -0.422 20 0 FBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@@H]3CC[NH+](C4CC4)C3)CC2)C1 ZINC000671816966 483445591 /nfs/dbraw/zinc/44/55/91/483445591.db2.gz HWPLXWBWSIGMSG-WBVHZDCISA-N 2 0 363.506 -0.422 20 0 FBADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)C2)CC1 ZINC000671817001 483470413 /nfs/dbraw/zinc/47/04/13/483470413.db2.gz LJXQRFOJFZCKGB-CABCVRRESA-N 2 0 363.506 -0.376 20 0 FBADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)C2)CC1 ZINC000671817006 483470497 /nfs/dbraw/zinc/47/04/97/483470497.db2.gz LJXQRFOJFZCKGB-GJZGRUSLSA-N 2 0 363.506 -0.376 20 0 FBADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)C2)CC1 ZINC000671817007 483471695 /nfs/dbraw/zinc/47/16/95/483471695.db2.gz LJXQRFOJFZCKGB-HUUCEWRRSA-N 2 0 363.506 -0.376 20 0 FBADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)C2)CC1 ZINC000671817008 483471797 /nfs/dbraw/zinc/47/17/97/483471797.db2.gz LJXQRFOJFZCKGB-LSDHHAIUSA-N 2 0 363.506 -0.376 20 0 FBADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000671817112 483593233 /nfs/dbraw/zinc/59/32/33/483593233.db2.gz VXELNYRRWVLAKU-AWEZNQCLSA-N 2 0 352.479 -0.092 20 0 FBADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000671817113 483594313 /nfs/dbraw/zinc/59/43/13/483594313.db2.gz VXELNYRRWVLAKU-CQSZACIVSA-N 2 0 352.479 -0.092 20 0 FBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671820617 484484741 /nfs/dbraw/zinc/48/47/41/484484741.db2.gz RWSVKRFUIYNQRU-CABCVRRESA-N 2 0 353.511 -0.273 20 0 FBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671820618 484484554 /nfs/dbraw/zinc/48/45/54/484484554.db2.gz RWSVKRFUIYNQRU-GJZGRUSLSA-N 2 0 353.511 -0.273 20 0 FBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671820619 484484405 /nfs/dbraw/zinc/48/44/05/484484405.db2.gz RWSVKRFUIYNQRU-HUUCEWRRSA-N 2 0 353.511 -0.273 20 0 FBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671820620 484484444 /nfs/dbraw/zinc/48/44/44/484484444.db2.gz RWSVKRFUIYNQRU-LSDHHAIUSA-N 2 0 353.511 -0.273 20 0 FBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000671820659 484485498 /nfs/dbraw/zinc/48/54/98/484485498.db2.gz ZKGHZKNOBOWIGG-CVEARBPZSA-N 2 0 353.511 -0.319 20 0 FBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000671820660 484485404 /nfs/dbraw/zinc/48/54/04/484485404.db2.gz ZKGHZKNOBOWIGG-HOTGVXAUSA-N 2 0 353.511 -0.319 20 0 FBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000671820661 484486227 /nfs/dbraw/zinc/48/62/27/484486227.db2.gz ZKGHZKNOBOWIGG-HZPDHXFCSA-N 2 0 353.511 -0.319 20 0 FBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000671820662 484485748 /nfs/dbraw/zinc/48/57/48/484485748.db2.gz ZKGHZKNOBOWIGG-JKSUJKDBSA-N 2 0 353.511 -0.319 20 0 FBADRP COc1cccc(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)n1 ZINC000671918844 484604661 /nfs/dbraw/zinc/60/46/61/484604661.db2.gz GLFSUKVLDFZAGZ-UHFFFAOYSA-N 2 0 351.451 -0.342 20 0 FBADRP CN1CCC([NH+]2CCC(NC(=O)C(=O)N[C@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000671950802 483472953 /nfs/dbraw/zinc/47/29/53/483472953.db2.gz YHTIXKIXAQVGSB-INIZCTEOSA-N 2 0 365.522 -0.128 20 0 FBADRP CN1CCC([NH+]2CCC(NC(=O)C(=O)N[C@@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000671950803 483472987 /nfs/dbraw/zinc/47/29/87/483472987.db2.gz YHTIXKIXAQVGSB-MRXNPFEDSA-N 2 0 365.522 -0.128 20 0 FBADRP Cc1nccn1CCNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671962641 483578844 /nfs/dbraw/zinc/57/88/44/483578844.db2.gz ZCURTOWBPFYXPR-HNNXBMFYSA-N 3 0 362.478 -0.408 20 0 FBADRP Cc1nccn1CCNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671962642 483579326 /nfs/dbraw/zinc/57/93/26/483579326.db2.gz ZCURTOWBPFYXPR-OAHLLOKOSA-N 3 0 362.478 -0.408 20 0 FBADRP CCCC[N@H+](C)CCNC(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000671963338 484607290 /nfs/dbraw/zinc/60/72/90/484607290.db2.gz SCAGWTXFOHYFPU-UHFFFAOYSA-N 2 0 355.527 -0.023 20 0 FBADRP C[C@H](O)CN(C)C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000672001871 484610909 /nfs/dbraw/zinc/61/09/09/484610909.db2.gz XCGQPCFVPCJMKN-HNNXBMFYSA-N 2 0 363.462 -0.451 20 0 FBADRP C[C@@H](O)CN(C)C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000672001872 484610074 /nfs/dbraw/zinc/61/00/74/484610074.db2.gz XCGQPCFVPCJMKN-OAHLLOKOSA-N 2 0 363.462 -0.451 20 0 FBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@H]1CCOC1 ZINC000672001910 484610262 /nfs/dbraw/zinc/61/02/62/484610262.db2.gz YXXQBOGYYSTNGY-HNNXBMFYSA-N 2 0 361.446 -0.385 20 0 FBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@@H]1CCOC1 ZINC000672001911 484611029 /nfs/dbraw/zinc/61/10/29/484611029.db2.gz YXXQBOGYYSTNGY-OAHLLOKOSA-N 2 0 361.446 -0.385 20 0 FBADRP C[C@H](NC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C1CC[NH+](C)CC1 ZINC000672009855 483952216 /nfs/dbraw/zinc/95/22/16/483952216.db2.gz SFPVEEKKSPEHFZ-HNNXBMFYSA-N 2 0 367.538 -0.025 20 0 FBADRP C[C@@H](NC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C1CC[NH+](C)CC1 ZINC000672009858 483952918 /nfs/dbraw/zinc/95/29/18/483952918.db2.gz SFPVEEKKSPEHFZ-OAHLLOKOSA-N 2 0 367.538 -0.025 20 0 FBADRP C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000672011456 484611961 /nfs/dbraw/zinc/61/19/61/484611961.db2.gz SXMGBNYPMARIIT-HNNXBMFYSA-N 3 0 355.527 -0.215 20 0 FBADRP C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000672011457 484612028 /nfs/dbraw/zinc/61/20/28/484612028.db2.gz SXMGBNYPMARIIT-OAHLLOKOSA-N 3 0 355.527 -0.215 20 0 FBADRP CC[N@H+](CCNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)C1CC1 ZINC000672100589 484280060 /nfs/dbraw/zinc/28/00/60/484280060.db2.gz ADCNUGMIMQJJGK-HNNXBMFYSA-N 2 0 365.522 -0.128 20 0 FBADRP CC[N@H+](CCNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)C1CC1 ZINC000672100590 484280439 /nfs/dbraw/zinc/28/04/39/484280439.db2.gz ADCNUGMIMQJJGK-OAHLLOKOSA-N 2 0 365.522 -0.128 20 0 FBADRP CC[N@H+](CCNC(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1)C1CC1 ZINC000672100623 484282184 /nfs/dbraw/zinc/28/21/84/484282184.db2.gz MKQMWGCJCXILSO-KRWDZBQOSA-N 2 0 365.522 -0.175 20 0 FBADRP CC[N@H+](CCNC(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1)C1CC1 ZINC000672100624 484282257 /nfs/dbraw/zinc/28/22/57/484282257.db2.gz MKQMWGCJCXILSO-QGZVFWFLSA-N 2 0 365.522 -0.175 20 0 FBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000672111598 484616750 /nfs/dbraw/zinc/61/67/50/484616750.db2.gz GMTMLSIINAJPNM-CABCVRRESA-N 2 0 367.494 -0.744 20 0 FBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N[C@H]1CCC[NH+](C)C1 ZINC000672111599 484618084 /nfs/dbraw/zinc/61/80/84/484618084.db2.gz GMTMLSIINAJPNM-GJZGRUSLSA-N 2 0 367.494 -0.744 20 0 FBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000672111600 484616645 /nfs/dbraw/zinc/61/66/45/484616645.db2.gz GMTMLSIINAJPNM-HUUCEWRRSA-N 2 0 367.494 -0.744 20 0 FBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N[C@H]1CCC[NH+](C)C1 ZINC000672111601 484617223 /nfs/dbraw/zinc/61/72/23/484617223.db2.gz GMTMLSIINAJPNM-LSDHHAIUSA-N 2 0 367.494 -0.744 20 0 FBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000672164367 485197346 /nfs/dbraw/zinc/19/73/46/485197346.db2.gz DREIVEVXHZYNJL-CVEARBPZSA-N 2 0 352.479 -0.186 20 0 FBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000672164368 485197135 /nfs/dbraw/zinc/19/71/35/485197135.db2.gz DREIVEVXHZYNJL-HOTGVXAUSA-N 2 0 352.479 -0.186 20 0 FBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000672164369 485197273 /nfs/dbraw/zinc/19/72/73/485197273.db2.gz DREIVEVXHZYNJL-HZPDHXFCSA-N 2 0 352.479 -0.186 20 0 FBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000672164370 485197679 /nfs/dbraw/zinc/19/76/79/485197679.db2.gz DREIVEVXHZYNJL-JKSUJKDBSA-N 2 0 352.479 -0.186 20 0 FBADRP C[C@@H](O)C[NH+]1CCN(c2cncc(N3CC[NH+](C[C@@H](C)O)CC3)n2)CC1 ZINC000672207081 484621423 /nfs/dbraw/zinc/62/14/23/484621423.db2.gz VLBCWZCXWPQYHG-HZPDHXFCSA-N 2 0 364.494 -0.518 20 0 FBADRP C[C@@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)[NH+](C)C1CC1 ZINC000672207633 484620721 /nfs/dbraw/zinc/62/07/21/484620721.db2.gz MJAIUOWMZXCJJI-DOTOQJQBSA-N 2 0 365.522 -0.176 20 0 FBADRP C[C@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)[NH+](C)C1CC1 ZINC000672207634 484621175 /nfs/dbraw/zinc/62/11/75/484621175.db2.gz MJAIUOWMZXCJJI-NVXWUHKLSA-N 2 0 365.522 -0.176 20 0 FBADRP C[C@@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)[NH+](C)C1CC1 ZINC000672207635 484621447 /nfs/dbraw/zinc/62/14/47/484621447.db2.gz MJAIUOWMZXCJJI-RDJZCZTQSA-N 2 0 365.522 -0.176 20 0 FBADRP C[C@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)[NH+](C)C1CC1 ZINC000672207636 484620669 /nfs/dbraw/zinc/62/06/69/484620669.db2.gz MJAIUOWMZXCJJI-WBVHZDCISA-N 2 0 365.522 -0.176 20 0 FBADRP C[C@H](CNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)[N@H+](C)C1CC1 ZINC000672207688 484620520 /nfs/dbraw/zinc/62/05/20/484620520.db2.gz UUVIQCKKCYDIQQ-CABCVRRESA-N 2 0 365.522 -0.130 20 0 FBADRP C[C@@H](CNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)[N@H+](C)C1CC1 ZINC000672207689 484621293 /nfs/dbraw/zinc/62/12/93/484621293.db2.gz UUVIQCKKCYDIQQ-GJZGRUSLSA-N 2 0 365.522 -0.130 20 0 FBADRP C[C@H](CNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)[N@H+](C)C1CC1 ZINC000672207690 484620395 /nfs/dbraw/zinc/62/03/95/484620395.db2.gz UUVIQCKKCYDIQQ-HUUCEWRRSA-N 2 0 365.522 -0.130 20 0 FBADRP C[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)[N@H+](C)C1CC1 ZINC000672207691 484621336 /nfs/dbraw/zinc/62/13/36/484621336.db2.gz UUVIQCKKCYDIQQ-LSDHHAIUSA-N 2 0 365.522 -0.130 20 0 FBADRP COCC[NH+](CCOC)C1CCN(C(=O)CN2CCN(C)CC2)CC1 ZINC000672256847 484622039 /nfs/dbraw/zinc/62/20/39/484622039.db2.gz SAPYESYRTPNMOL-UHFFFAOYSA-N 2 0 356.511 -0.180 20 0 FBADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)N[C@H]2CC[NH+](CC3CC3)C2)CC1 ZINC000672304835 485137108 /nfs/dbraw/zinc/13/71/08/485137108.db2.gz MZXHXYWIPKZLQH-INIZCTEOSA-N 2 0 366.506 -0.108 20 0 FBADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)CC1 ZINC000672304836 485136822 /nfs/dbraw/zinc/13/68/22/485136822.db2.gz MZXHXYWIPKZLQH-MRXNPFEDSA-N 2 0 366.506 -0.108 20 0 FBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N[C@H]2CC[NH+](CC3CC3)C2)CC1(C)C ZINC000672305158 484627512 /nfs/dbraw/zinc/62/75/12/484627512.db2.gz DMZWPMVKVDMYHX-INIZCTEOSA-N 2 0 365.522 -0.271 20 0 FBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)CC1(C)C ZINC000672305159 484626416 /nfs/dbraw/zinc/62/64/16/484626416.db2.gz DMZWPMVKVDMYHX-MRXNPFEDSA-N 2 0 365.522 -0.271 20 0 FBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000672305466 484627173 /nfs/dbraw/zinc/62/71/73/484627173.db2.gz QILOFAFCUQLMBO-KRWDZBQOSA-N 2 0 365.522 -0.317 20 0 FBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000672305467 484626350 /nfs/dbraw/zinc/62/63/50/484626350.db2.gz QILOFAFCUQLMBO-QGZVFWFLSA-N 2 0 365.522 -0.317 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000672309856 484630390 /nfs/dbraw/zinc/63/03/90/484630390.db2.gz YBSUYTRKTNXOCA-INIZCTEOSA-N 3 0 353.511 -0.461 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000672309857 484630125 /nfs/dbraw/zinc/63/01/25/484630125.db2.gz YBSUYTRKTNXOCA-MRXNPFEDSA-N 3 0 353.511 -0.461 20 0 FBADRP C[N@@H+]1CCC[C@H](NC(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000672313487 484630216 /nfs/dbraw/zinc/63/02/16/484630216.db2.gz YJVMXTJGQLKACZ-HNNXBMFYSA-N 2 0 352.479 -0.042 20 0 FBADRP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000672313488 484628896 /nfs/dbraw/zinc/62/88/96/484628896.db2.gz YJVMXTJGQLKACZ-OAHLLOKOSA-N 2 0 352.479 -0.042 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000672358152 484633785 /nfs/dbraw/zinc/63/37/85/484633785.db2.gz QCLKXLIKEWKQDF-HNNXBMFYSA-N 2 0 361.446 -0.433 20 0 FBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000672358153 484633603 /nfs/dbraw/zinc/63/36/03/484633603.db2.gz QCLKXLIKEWKQDF-OAHLLOKOSA-N 2 0 361.446 -0.433 20 0 FBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000672358488 484634484 /nfs/dbraw/zinc/63/44/84/484634484.db2.gz HKPIUBICBGZMAC-CVEARBPZSA-N 2 0 352.479 -0.090 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000672358489 484634001 /nfs/dbraw/zinc/63/40/01/484634001.db2.gz HKPIUBICBGZMAC-HOTGVXAUSA-N 2 0 352.479 -0.090 20 0 FBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000672358490 484634146 /nfs/dbraw/zinc/63/41/46/484634146.db2.gz HKPIUBICBGZMAC-HZPDHXFCSA-N 2 0 352.479 -0.090 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000672358491 484634507 /nfs/dbraw/zinc/63/45/07/484634507.db2.gz HKPIUBICBGZMAC-JKSUJKDBSA-N 2 0 352.479 -0.090 20 0 FBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[N@H+](C)C2)CC1 ZINC000672513271 484655657 /nfs/dbraw/zinc/65/56/57/484655657.db2.gz INPCTWRWLUWUJC-HNNXBMFYSA-N 2 0 367.494 -0.744 20 0 FBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000672513272 484655341 /nfs/dbraw/zinc/65/53/41/484655341.db2.gz INPCTWRWLUWUJC-OAHLLOKOSA-N 2 0 367.494 -0.744 20 0 FBADRP Cc1cc(CNC(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)[nH]n1 ZINC000672540562 484657789 /nfs/dbraw/zinc/65/77/89/484657789.db2.gz NDJNYVQHVROXMS-UHFFFAOYSA-N 2 0 350.467 -0.181 20 0 FBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000672594171 484660983 /nfs/dbraw/zinc/66/09/83/484660983.db2.gz LZLWSFOOWBDUEZ-BZUAXINKSA-N 2 0 365.522 -0.130 20 0 FBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000672594172 484661234 /nfs/dbraw/zinc/66/12/34/484661234.db2.gz LZLWSFOOWBDUEZ-OAGGEKHMSA-N 2 0 365.522 -0.130 20 0 FBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000672594173 484661672 /nfs/dbraw/zinc/66/16/72/484661672.db2.gz LZLWSFOOWBDUEZ-OWCLPIDISA-N 2 0 365.522 -0.130 20 0 FBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000672594174 484662086 /nfs/dbraw/zinc/66/20/86/484662086.db2.gz LZLWSFOOWBDUEZ-PMPSAXMXSA-N 2 0 365.522 -0.130 20 0 FBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN([C@@H]3CCC[NH+](C)C3)CC2)CC[N@@H+]1C ZINC000672594323 484660853 /nfs/dbraw/zinc/66/08/53/484660853.db2.gz VFYGHRHJZFMYFE-BRWVUGGUSA-N 2 0 365.522 -0.176 20 0 FBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN([C@H]3CCC[NH+](C)C3)CC2)CC[N@@H+]1C ZINC000672594325 484661835 /nfs/dbraw/zinc/66/18/35/484661835.db2.gz VFYGHRHJZFMYFE-IKGGRYGDSA-N 2 0 365.522 -0.176 20 0 FBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN([C@@H]3CCC[NH+](C)C3)CC2)CC[N@@H+]1C ZINC000672594326 484663503 /nfs/dbraw/zinc/66/35/03/484663503.db2.gz VFYGHRHJZFMYFE-IXDOHACOSA-N 2 0 365.522 -0.176 20 0 FBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN([C@H]3CCC[NH+](C)C3)CC2)CC[N@@H+]1C ZINC000672594328 484664315 /nfs/dbraw/zinc/66/43/15/484664315.db2.gz VFYGHRHJZFMYFE-ZACQAIPSSA-N 2 0 365.522 -0.176 20 0 FBADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000672596019 484664284 /nfs/dbraw/zinc/66/42/84/484664284.db2.gz OIHLBHCMURDFQA-OWCLPIDISA-N 2 0 351.495 -0.566 20 0 FBADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000672596020 484663789 /nfs/dbraw/zinc/66/37/89/484663789.db2.gz OIHLBHCMURDFQA-PMPSAXMXSA-N 2 0 351.495 -0.566 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCCC12CC[NH+](C)CC2 ZINC000672596077 484662923 /nfs/dbraw/zinc/66/29/23/484662923.db2.gz AQOWIRRUXQMMRV-HNNXBMFYSA-N 2 0 351.495 -0.565 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCCC12CC[NH+](C)CC2 ZINC000672596078 484663097 /nfs/dbraw/zinc/66/30/97/484663097.db2.gz AQOWIRRUXQMMRV-OAHLLOKOSA-N 2 0 351.495 -0.565 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000672596297 484663069 /nfs/dbraw/zinc/66/30/69/484663069.db2.gz PFXUKJDJJNTHGW-INIZCTEOSA-N 2 0 360.462 -0.908 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000672596298 484663778 /nfs/dbraw/zinc/66/37/78/484663778.db2.gz PFXUKJDJJNTHGW-MRXNPFEDSA-N 2 0 360.462 -0.908 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000672597176 484664458 /nfs/dbraw/zinc/66/44/58/484664458.db2.gz ZKALUBBZJFKXKH-CVEARBPZSA-N 2 0 351.495 -0.565 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000672597177 484662976 /nfs/dbraw/zinc/66/29/76/484662976.db2.gz ZKALUBBZJFKXKH-HOTGVXAUSA-N 2 0 351.495 -0.565 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000672597178 484666136 /nfs/dbraw/zinc/66/61/36/484666136.db2.gz ZKALUBBZJFKXKH-HZPDHXFCSA-N 2 0 351.495 -0.565 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000672597179 484666150 /nfs/dbraw/zinc/66/61/50/484666150.db2.gz ZKALUBBZJFKXKH-JKSUJKDBSA-N 2 0 351.495 -0.565 20 0 FBADRP C[N@@H+]1CCC[C@H](NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2N2CCOCC2)C1 ZINC000672598766 483828291 /nfs/dbraw/zinc/82/82/91/483828291.db2.gz MSNQFWRGMQMRMY-XHSDSOJGSA-N 2 0 352.479 -0.044 20 0 FBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672637251 484669702 /nfs/dbraw/zinc/66/97/02/484669702.db2.gz CESCFZHIFMGOJI-HNNXBMFYSA-N 2 0 365.522 -0.176 20 0 FBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672637252 484669591 /nfs/dbraw/zinc/66/95/91/484669591.db2.gz CESCFZHIFMGOJI-OAHLLOKOSA-N 2 0 365.522 -0.176 20 0 FBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000672638026 484668760 /nfs/dbraw/zinc/66/87/60/484668760.db2.gz COQHCAJDVXUUDV-INIZCTEOSA-N 2 0 365.522 -0.175 20 0 FBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000672638040 484670369 /nfs/dbraw/zinc/67/03/69/484670369.db2.gz COQHCAJDVXUUDV-MRXNPFEDSA-N 2 0 365.522 -0.175 20 0 FBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672639866 484673781 /nfs/dbraw/zinc/67/37/81/484673781.db2.gz SPLFGCYRDDSFTQ-HNNXBMFYSA-N 2 0 353.511 -0.319 20 0 FBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672639867 484673134 /nfs/dbraw/zinc/67/31/34/484673134.db2.gz SPLFGCYRDDSFTQ-OAHLLOKOSA-N 2 0 353.511 -0.319 20 0 FBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000672640543 484673822 /nfs/dbraw/zinc/67/38/22/484673822.db2.gz JYUZPXODEUJTRL-DOTOQJQBSA-N 2 0 365.522 -0.176 20 0 FBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000672640546 483939035 /nfs/dbraw/zinc/93/90/35/483939035.db2.gz JYUZPXODEUJTRL-NVXWUHKLSA-N 2 0 365.522 -0.176 20 0 FBADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000672640549 483937914 /nfs/dbraw/zinc/93/79/14/483937914.db2.gz JYUZPXODEUJTRL-RDJZCZTQSA-N 2 0 365.522 -0.176 20 0 FBADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000672640553 483937700 /nfs/dbraw/zinc/93/77/00/483937700.db2.gz JYUZPXODEUJTRL-WBVHZDCISA-N 2 0 365.522 -0.176 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672643261 484675944 /nfs/dbraw/zinc/67/59/44/484675944.db2.gz VXDUZDAJNQOPGB-DOTOQJQBSA-N 2 0 365.522 -0.128 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672643263 484675646 /nfs/dbraw/zinc/67/56/46/484675646.db2.gz VXDUZDAJNQOPGB-NVXWUHKLSA-N 2 0 365.522 -0.128 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672643264 484674453 /nfs/dbraw/zinc/67/44/53/484674453.db2.gz VXDUZDAJNQOPGB-RDJZCZTQSA-N 2 0 365.522 -0.128 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672643265 484675484 /nfs/dbraw/zinc/67/54/84/484675484.db2.gz VXDUZDAJNQOPGB-WBVHZDCISA-N 2 0 365.522 -0.128 20 0 FBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672643382 484676046 /nfs/dbraw/zinc/67/60/46/484676046.db2.gz WTCVRVBOXYEGKP-INIZCTEOSA-N 2 0 365.522 -0.175 20 0 FBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672643383 484675188 /nfs/dbraw/zinc/67/51/88/484675188.db2.gz WTCVRVBOXYEGKP-MRXNPFEDSA-N 2 0 365.522 -0.175 20 0 FBADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N[C@@H]3CCC[N@H+](C)C3)C2)CC1 ZINC000672643456 484674880 /nfs/dbraw/zinc/67/48/80/484674880.db2.gz ZGNWSWAHNPNNAB-CABCVRRESA-N 2 0 351.495 -0.519 20 0 FBADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N[C@H]3CCC[N@H+](C)C3)C2)CC1 ZINC000672643457 484675222 /nfs/dbraw/zinc/67/52/22/484675222.db2.gz ZGNWSWAHNPNNAB-GJZGRUSLSA-N 2 0 351.495 -0.519 20 0 FBADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCC[N@H+](C)C3)C2)CC1 ZINC000672643458 484675990 /nfs/dbraw/zinc/67/59/90/484675990.db2.gz ZGNWSWAHNPNNAB-HUUCEWRRSA-N 2 0 351.495 -0.519 20 0 FBADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N[C@H]3CCC[N@H+](C)C3)C2)CC1 ZINC000672643459 484675906 /nfs/dbraw/zinc/67/59/06/484675906.db2.gz ZGNWSWAHNPNNAB-LSDHHAIUSA-N 2 0 351.495 -0.519 20 0 FBADRP CN(C)c1nc(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cs1 ZINC000672807973 484680642 /nfs/dbraw/zinc/68/06/42/484680642.db2.gz DSVJBXQXWDUSDD-UHFFFAOYSA-N 2 0 370.523 -0.223 20 0 FBADRP CC1(C)CN(C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)CC[N@@H+]1CCO ZINC000672882805 484683943 /nfs/dbraw/zinc/68/39/43/484683943.db2.gz OVRDJIOLAZWRHE-HNNXBMFYSA-N 2 0 369.510 -0.328 20 0 FBADRP CC1(C)CN(C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)CC[N@@H+]1CCO ZINC000672882806 484684072 /nfs/dbraw/zinc/68/40/72/484684072.db2.gz OVRDJIOLAZWRHE-OAHLLOKOSA-N 2 0 369.510 -0.328 20 0 FBADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CCC1 ZINC000672981744 484687828 /nfs/dbraw/zinc/68/78/28/484687828.db2.gz DSJLFWHARGSORF-HNNXBMFYSA-N 2 0 365.522 -0.128 20 0 FBADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CCC1 ZINC000672981745 484687776 /nfs/dbraw/zinc/68/77/76/484687776.db2.gz DSJLFWHARGSORF-OAHLLOKOSA-N 2 0 365.522 -0.128 20 0 FBADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CCC1 ZINC000672981778 484687202 /nfs/dbraw/zinc/68/72/02/484687202.db2.gz ZAKXOCLUIYIGTL-INIZCTEOSA-N 2 0 365.522 -0.175 20 0 FBADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CCC1 ZINC000672981779 484687141 /nfs/dbraw/zinc/68/71/41/484687141.db2.gz ZAKXOCLUIYIGTL-MRXNPFEDSA-N 2 0 365.522 -0.175 20 0 FBADRP COC1(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCOCC1 ZINC000672994607 484689032 /nfs/dbraw/zinc/68/90/32/484689032.db2.gz AHCSOADQYPHPKF-UHFFFAOYSA-N 2 0 358.483 -0.750 20 0 FBADRP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000673014301 484691527 /nfs/dbraw/zinc/69/15/27/484691527.db2.gz QIEHVTDDKLORTQ-GDBMZVCRSA-N 2 0 352.479 -0.186 20 0 FBADRP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000673014302 484690842 /nfs/dbraw/zinc/69/08/42/484690842.db2.gz QIEHVTDDKLORTQ-GOEBONIOSA-N 2 0 352.479 -0.186 20 0 FBADRP C[N@@H+]1CCC[C@H](NC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000673014303 484691087 /nfs/dbraw/zinc/69/10/87/484691087.db2.gz QIEHVTDDKLORTQ-HOCLYGCPSA-N 2 0 352.479 -0.186 20 0 FBADRP C[N@@H+]1CCC[C@H](NC(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000673014304 484691623 /nfs/dbraw/zinc/69/16/23/484691623.db2.gz QIEHVTDDKLORTQ-ZBFHGGJFSA-N 2 0 352.479 -0.186 20 0 FBADRP C[C@H](NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@@H]1CN(C)CCO1 ZINC000673123475 484694915 /nfs/dbraw/zinc/69/49/15/484694915.db2.gz HNWFGDYCFRKHQS-IXIBIKRGSA-N 2 0 352.479 -0.047 20 0 FBADRP C[C@@H](NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@H]1CN(C)CCO1 ZINC000673123477 484695148 /nfs/dbraw/zinc/69/51/48/484695148.db2.gz HNWFGDYCFRKHQS-MOTUXRJWSA-N 2 0 352.479 -0.047 20 0 FBADRP C[C@H](NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@H]1CN(C)CCO1 ZINC000673123478 484695353 /nfs/dbraw/zinc/69/53/53/484695353.db2.gz HNWFGDYCFRKHQS-NIOBXDJOSA-N 2 0 352.479 -0.047 20 0 FBADRP C[C@@H](NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@@H]1CN(C)CCO1 ZINC000673123480 484695214 /nfs/dbraw/zinc/69/52/14/484695214.db2.gz HNWFGDYCFRKHQS-SDKNFDLMSA-N 2 0 352.479 -0.047 20 0 FBADRP Cc1nccn1CCCCNC(=O)C(=O)N[C@@H](C)[C@H]1CN(C)CCO1 ZINC000673129755 484694762 /nfs/dbraw/zinc/69/47/62/484694762.db2.gz UNGNMJPVJMORMX-DZGCQCFKSA-N 2 0 351.451 -0.077 20 0 FBADRP Cc1nccn1CCCCNC(=O)C(=O)N[C@H](C)[C@@H]1CN(C)CCO1 ZINC000673129756 484695900 /nfs/dbraw/zinc/69/59/00/484695900.db2.gz UNGNMJPVJMORMX-HIFRSBDPSA-N 2 0 351.451 -0.077 20 0 FBADRP Cc1nccn1CCCCNC(=O)C(=O)N[C@H](C)[C@H]1CN(C)CCO1 ZINC000673129757 484694563 /nfs/dbraw/zinc/69/45/63/484694563.db2.gz UNGNMJPVJMORMX-UKRRQHHQSA-N 2 0 351.451 -0.077 20 0 FBADRP Cc1nccn1CCCCNC(=O)C(=O)N[C@@H](C)[C@@H]1CN(C)CCO1 ZINC000673129758 484695918 /nfs/dbraw/zinc/69/59/18/484695918.db2.gz UNGNMJPVJMORMX-ZFWWWQNUSA-N 2 0 351.451 -0.077 20 0 FBADRP CC(C)Cn1ccnc1CNC(=O)C(=O)N[C@@H](C)[C@@H]1CN(C)CCO1 ZINC000673130640 484694790 /nfs/dbraw/zinc/69/47/90/484694790.db2.gz YTSRUTUDPYJUQB-KBPBESRZSA-N 2 0 351.451 -0.009 20 0 FBADRP CC(C)Cn1ccnc1CNC(=O)C(=O)N[C@H](C)[C@@H]1CN(C)CCO1 ZINC000673130641 484695688 /nfs/dbraw/zinc/69/56/88/484695688.db2.gz YTSRUTUDPYJUQB-KGLIPLIRSA-N 2 0 351.451 -0.009 20 0 FBADRP CC(C)Cn1ccnc1CNC(=O)C(=O)N[C@@H](C)[C@H]1CN(C)CCO1 ZINC000673130642 484694665 /nfs/dbraw/zinc/69/46/65/484694665.db2.gz YTSRUTUDPYJUQB-UONOGXRCSA-N 2 0 351.451 -0.009 20 0 FBADRP CC(C)Cn1ccnc1CNC(=O)C(=O)N[C@H](C)[C@H]1CN(C)CCO1 ZINC000673130643 484694840 /nfs/dbraw/zinc/69/48/40/484694840.db2.gz YTSRUTUDPYJUQB-ZIAGYGMSSA-N 2 0 351.451 -0.009 20 0 FBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000673148191 484696599 /nfs/dbraw/zinc/69/65/99/484696599.db2.gz NBFOJUBVTNXKQD-UHFFFAOYSA-N 2 0 363.462 -0.185 20 0 FBADRP C[C@H](NC(=O)C(=O)NC1CC([NH+]2CCCCC2)C1)[C@@H]1CN(C)CCO1 ZINC000673178974 484698519 /nfs/dbraw/zinc/69/85/19/484698519.db2.gz OVZMPJPCFCIUJK-LBDPXKHJSA-N 2 0 352.479 -0.045 20 0 FBADRP C[C@@H](NC(=O)C(=O)NC1CC([NH+]2CCCCC2)C1)[C@@H]1CN(C)CCO1 ZINC000673178977 484698375 /nfs/dbraw/zinc/69/83/75/484698375.db2.gz OVZMPJPCFCIUJK-LMPOIIKSSA-N 2 0 352.479 -0.045 20 0 FBADRP C[C@@H](NC(=O)C(=O)NC1CC([NH+]2CCCCC2)C1)[C@H]1CN(C)CCO1 ZINC000673178978 484698818 /nfs/dbraw/zinc/69/88/18/484698818.db2.gz OVZMPJPCFCIUJK-PRLABOORSA-N 2 0 352.479 -0.045 20 0 FBADRP C[C@H](NC(=O)C(=O)NC1CC([NH+]2CCCCC2)C1)[C@H]1CN(C)CCO1 ZINC000673178979 484698295 /nfs/dbraw/zinc/69/82/95/484698295.db2.gz OVZMPJPCFCIUJK-SLTXQBBLSA-N 2 0 352.479 -0.045 20 0 FBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000673351683 484707293 /nfs/dbraw/zinc/70/72/93/484707293.db2.gz CEEZKQQJQNWXAN-MRXNPFEDSA-N 2 0 370.494 -0.748 20 0 FBADRP C[C@@H](NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)[C@H]1CN(C)CCO1 ZINC000673427948 484709948 /nfs/dbraw/zinc/70/99/48/484709948.db2.gz PLDAIFZSKRSIFF-BZUAXINKSA-N 2 0 370.494 -0.561 20 0 FBADRP C[C@@H](NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)[C@@H]1CN(C)CCO1 ZINC000673427953 484710262 /nfs/dbraw/zinc/71/02/62/484710262.db2.gz PLDAIFZSKRSIFF-OAGGEKHMSA-N 2 0 370.494 -0.561 20 0 FBADRP C[C@H](NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)[C@H]1CN(C)CCO1 ZINC000673427954 484709629 /nfs/dbraw/zinc/70/96/29/484709629.db2.gz PLDAIFZSKRSIFF-OWCLPIDISA-N 2 0 370.494 -0.561 20 0 FBADRP C[C@H](NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)[C@@H]1CN(C)CCO1 ZINC000673427955 484709712 /nfs/dbraw/zinc/70/97/12/484709712.db2.gz PLDAIFZSKRSIFF-PMPSAXMXSA-N 2 0 370.494 -0.561 20 0 FBADRP CC(C)[NH+](C)CC(=O)N1CCN(CCNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC000673539509 484716713 /nfs/dbraw/zinc/71/67/13/484716713.db2.gz WYFCHRITPAGNLV-UHFFFAOYSA-N 2 0 355.527 -0.073 20 0 FBADRP C[NH+](C)CCOc1cc(CNC(=O)C(=O)N[C@H]2CCC[N@H+](C)C2)ccn1 ZINC000673582448 484719750 /nfs/dbraw/zinc/71/97/50/484719750.db2.gz AFQFCCSXBHNSJH-HNNXBMFYSA-N 2 0 363.462 -0.151 20 0 FBADRP C[NH+](C)CCOc1cc(CNC(=O)C(=O)N[C@@H]2CCC[N@H+](C)C2)ccn1 ZINC000673582451 484719477 /nfs/dbraw/zinc/71/94/77/484719477.db2.gz AFQFCCSXBHNSJH-OAHLLOKOSA-N 2 0 363.462 -0.151 20 0 FBADRP O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000673584055 484719258 /nfs/dbraw/zinc/71/92/58/484719258.db2.gz LKQIOZGWJXBUKD-BBWFWOEESA-N 2 0 364.490 -0.213 20 0 FBADRP O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000673584056 484718910 /nfs/dbraw/zinc/71/89/10/484718910.db2.gz LKQIOZGWJXBUKD-BRWVUGGUSA-N 2 0 364.490 -0.213 20 0 FBADRP O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000673584057 484719383 /nfs/dbraw/zinc/71/93/83/484719383.db2.gz LKQIOZGWJXBUKD-GVDBMIGSSA-N 2 0 364.490 -0.213 20 0 FBADRP O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000673584058 484719659 /nfs/dbraw/zinc/71/96/59/484719659.db2.gz LKQIOZGWJXBUKD-ZACQAIPSSA-N 2 0 364.490 -0.213 20 0 FBADRP C[N@@H+]1CCC[C@H](NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000673584777 484719559 /nfs/dbraw/zinc/71/95/59/484719559.db2.gz HHZGPYAHJARIAL-ARFHVFGLSA-N 2 0 352.479 -0.309 20 0 FBADRP C[N@@H+]1CCC[C@H](NC(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C1 ZINC000673584778 484719527 /nfs/dbraw/zinc/71/95/27/484719527.db2.gz HHZGPYAHJARIAL-HRCADAONSA-N 2 0 352.479 -0.309 20 0 FBADRP C[N@@H+]1CCC[C@H](NC(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C1 ZINC000673584779 484719590 /nfs/dbraw/zinc/71/95/90/484719590.db2.gz HHZGPYAHJARIAL-JYJNAYRXSA-N 2 0 352.479 -0.309 20 0 FBADRP C[N@@H+]1CCC[C@H](NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000673584780 484719107 /nfs/dbraw/zinc/71/91/07/484719107.db2.gz HHZGPYAHJARIAL-XHSDSOJGSA-N 2 0 352.479 -0.309 20 0 FBADRP C[NH+](C)CCN1C[C@@H](C(=O)NCCCN2CCC[N@H+](C)CC2)CC1=O ZINC000673670733 484723041 /nfs/dbraw/zinc/72/30/41/484723041.db2.gz ODDPPHYZJARAKC-INIZCTEOSA-N 2 0 353.511 -0.460 20 0 FBADRP C[NH+](C)CCN1C[C@H](C(=O)NCCCN2CCC[N@H+](C)CC2)CC1=O ZINC000673670734 484723679 /nfs/dbraw/zinc/72/36/79/484723679.db2.gz ODDPPHYZJARAKC-MRXNPFEDSA-N 2 0 353.511 -0.460 20 0 FBADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000673851325 484726840 /nfs/dbraw/zinc/72/68/40/484726840.db2.gz XBUXCJCLHIXIRZ-MRXNPFEDSA-N 2 0 367.494 -0.168 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCN(C2CCOCC2)C1=O ZINC000673882974 484728789 /nfs/dbraw/zinc/72/87/89/484728789.db2.gz AFVLLQHKVNTLNT-INIZCTEOSA-N 2 0 369.510 -0.099 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000673882975 484728906 /nfs/dbraw/zinc/72/89/06/484728906.db2.gz AFVLLQHKVNTLNT-MRXNPFEDSA-N 2 0 369.510 -0.099 20 0 FBADRP CN1CCO[C@H](C(=O)NC[C@@H]2CCC[C@H]2NC(=O)[C@@H]2CN(C)CCO2)C1 ZINC000673992478 484732528 /nfs/dbraw/zinc/73/25/28/484732528.db2.gz GKYLFVFMHSLZQW-FZKCQIBNSA-N 2 0 368.478 -0.951 20 0 FBADRP CN1CCO[C@H](C(=O)NC[C@@H]2CCC[C@@H]2NC(=O)[C@@H]2CN(C)CCO2)C1 ZINC000673992479 484731935 /nfs/dbraw/zinc/73/19/35/484731935.db2.gz GKYLFVFMHSLZQW-VGWMRTNUSA-N 2 0 368.478 -0.951 20 0 FBADRP CN1CCO[C@@H](C(=O)N[C@@H]2CCC[C@H]2CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC000673992480 484732083 /nfs/dbraw/zinc/73/20/83/484732083.db2.gz GKYLFVFMHSLZQW-XUWVNRHRSA-N 2 0 368.478 -0.951 20 0 FBADRP CN1CCO[C@@H](C(=O)N[C@H]2CCC[C@H]2CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC000673992481 484732141 /nfs/dbraw/zinc/73/21/41/484732141.db2.gz GKYLFVFMHSLZQW-YHUYYLMFSA-N 2 0 368.478 -0.951 20 0 FBADRP COC1CC[NH+](CCNC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000674329446 484743575 /nfs/dbraw/zinc/74/35/75/484743575.db2.gz BAQJBRQUXYZPOK-HNNXBMFYSA-N 2 0 369.510 -0.016 20 0 FBADRP COC1CC[NH+](CCNC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000674329447 484743348 /nfs/dbraw/zinc/74/33/48/484743348.db2.gz BAQJBRQUXYZPOK-OAHLLOKOSA-N 2 0 369.510 -0.016 20 0 FBADRP CC[NH+]1CCN(CCNC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000676089694 484790102 /nfs/dbraw/zinc/79/01/02/484790102.db2.gz IXMUOUCZJKGPHS-UHFFFAOYSA-N 2 0 371.445 -0.041 20 0 FBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000676096016 484791137 /nfs/dbraw/zinc/79/11/37/484791137.db2.gz NZIQUPYFRJGRLY-CYBMUJFWSA-N 2 0 352.439 -0.780 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000676096017 484792140 /nfs/dbraw/zinc/79/21/40/484792140.db2.gz NZIQUPYFRJGRLY-ZDUSSCGKSA-N 2 0 352.439 -0.780 20 0 FBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000676097139 484791026 /nfs/dbraw/zinc/79/10/26/484791026.db2.gz WURYUPQPMZRULU-HNNXBMFYSA-N 2 0 366.466 -0.390 20 0 FBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000676097140 484790620 /nfs/dbraw/zinc/79/06/20/484790620.db2.gz WURYUPQPMZRULU-OAHLLOKOSA-N 2 0 366.466 -0.390 20 0 FBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)cn1 ZINC000676097256 484792035 /nfs/dbraw/zinc/79/20/35/484792035.db2.gz LFCVAOLIYWZSQL-INIZCTEOSA-N 2 0 368.507 -0.063 20 0 FBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)cn1 ZINC000676097407 484791174 /nfs/dbraw/zinc/79/11/74/484791174.db2.gz LFCVAOLIYWZSQL-MRXNPFEDSA-N 2 0 368.507 -0.063 20 0 FBADRP C[C@@H](C(=O)N1CCN(C(=O)[C@H](C)[NH+](C)C)[C@H](C(=O)N(C)C)C1)[NH+](C)C ZINC000676390058 484808358 /nfs/dbraw/zinc/80/83/58/484808358.db2.gz UBXBMUZGXSLTNT-IHRRRGAJSA-N 2 0 355.483 -0.986 20 0 FBADRP C[C@@H](C(=O)N1CCN(C(=O)[C@H](C)[NH+](C)C)[C@@H](C(=O)N(C)C)C1)[NH+](C)C ZINC000676390059 484807991 /nfs/dbraw/zinc/80/79/91/484807991.db2.gz UBXBMUZGXSLTNT-MELADBBJSA-N 2 0 355.483 -0.986 20 0 FBADRP C[NH+](CC(=O)N1CCN(C(=O)C[N@@H+](C)C(C)(C)CO)CC1)C(C)(C)CO ZINC000676485799 484814656 /nfs/dbraw/zinc/81/46/56/484814656.db2.gz KYSFPJPLLIWJJT-UHFFFAOYSA-N 2 0 372.510 -0.937 20 0 FBADRP C[NH+](C)C[C@](C)(O)CNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000677014869 484826893 /nfs/dbraw/zinc/82/68/93/484826893.db2.gz RRZVGHLSYWLSRQ-DOTOQJQBSA-N 2 0 357.499 -0.995 20 0 FBADRP C[NH+](C)C[C@](C)(O)CNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000677014870 484827198 /nfs/dbraw/zinc/82/71/98/484827198.db2.gz RRZVGHLSYWLSRQ-NVXWUHKLSA-N 2 0 357.499 -0.995 20 0 FBADRP C[NH+](C)C[C@@](C)(O)CNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000677014871 484827450 /nfs/dbraw/zinc/82/74/50/484827450.db2.gz RRZVGHLSYWLSRQ-RDJZCZTQSA-N 2 0 357.499 -0.995 20 0 FBADRP C[NH+](C)C[C@@](C)(O)CNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000677014872 484827541 /nfs/dbraw/zinc/82/75/41/484827541.db2.gz RRZVGHLSYWLSRQ-WBVHZDCISA-N 2 0 357.499 -0.995 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000677107256 484829309 /nfs/dbraw/zinc/82/93/09/484829309.db2.gz PCDNZMZJEJJFHU-AWEZNQCLSA-N 2 0 363.528 -0.597 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000677107257 483763097 /nfs/dbraw/zinc/76/30/97/483763097.db2.gz PCDNZMZJEJJFHU-CQSZACIVSA-N 2 0 363.528 -0.597 20 0 FBADRP C[NH+]1CCN(c2ncccc2CNC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000677872600 484847455 /nfs/dbraw/zinc/84/74/55/484847455.db2.gz QCPSMIYCKFNDHR-KRWDZBQOSA-N 2 0 358.490 -0.161 20 0 FBADRP C[NH+]1CCN(c2ncccc2CNC(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000677872601 484846725 /nfs/dbraw/zinc/84/67/25/484846725.db2.gz QCPSMIYCKFNDHR-QGZVFWFLSA-N 2 0 358.490 -0.161 20 0 FBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000677879412 484847736 /nfs/dbraw/zinc/84/77/36/484847736.db2.gz QVZLMCJVZXEFKT-CVEARBPZSA-N 2 0 351.495 -0.565 20 0 FBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000677879413 484846756 /nfs/dbraw/zinc/84/67/56/484846756.db2.gz QVZLMCJVZXEFKT-HOTGVXAUSA-N 2 0 351.495 -0.565 20 0 FBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000677879414 484847029 /nfs/dbraw/zinc/84/70/29/484847029.db2.gz QVZLMCJVZXEFKT-HZPDHXFCSA-N 2 0 351.495 -0.565 20 0 FBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000677879415 484846925 /nfs/dbraw/zinc/84/69/25/484846925.db2.gz QVZLMCJVZXEFKT-JKSUJKDBSA-N 2 0 351.495 -0.565 20 0 FBADRP C[N@H+](CC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1)[C@H]1CCSC1 ZINC000677891787 484847424 /nfs/dbraw/zinc/84/74/24/484847424.db2.gz RHAMNAXXEUGNNO-CVEARBPZSA-N 2 0 356.536 -0.054 20 0 FBADRP C[N@H+](CC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1)[C@H]1CCSC1 ZINC000677891788 484848660 /nfs/dbraw/zinc/84/86/60/484848660.db2.gz RHAMNAXXEUGNNO-HOTGVXAUSA-N 2 0 356.536 -0.054 20 0 FBADRP C[N@H+](CC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1)[C@@H]1CCSC1 ZINC000677891789 484848976 /nfs/dbraw/zinc/84/89/76/484848976.db2.gz RHAMNAXXEUGNNO-HZPDHXFCSA-N 2 0 356.536 -0.054 20 0 FBADRP C[N@H+](CC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1)[C@@H]1CCSC1 ZINC000677891790 484848569 /nfs/dbraw/zinc/84/85/69/484848569.db2.gz RHAMNAXXEUGNNO-JKSUJKDBSA-N 2 0 356.536 -0.054 20 0 FBADRP Cn1nnnc1CCNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000678503826 484863432 /nfs/dbraw/zinc/86/34/32/484863432.db2.gz MRNZYZUPQOHTPM-UHFFFAOYSA-N 2 0 373.465 -0.341 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCc1nnnn1C ZINC000678564008 484867087 /nfs/dbraw/zinc/86/70/87/484867087.db2.gz KONZVMMAQDKALB-AWEZNQCLSA-N 2 0 352.487 -0.190 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCc1nnnn1C ZINC000678564014 484867403 /nfs/dbraw/zinc/86/74/03/484867403.db2.gz KONZVMMAQDKALB-CQSZACIVSA-N 2 0 352.487 -0.190 20 0 FBADRP C[C@@H](C(=O)NCCC(=O)N1CCN(C(=O)[C@H](C)[NH+](C)C)CC1)[NH+](C)C ZINC000679318110 484880519 /nfs/dbraw/zinc/88/05/19/484880519.db2.gz BCPXLNURKFVAIP-KBPBESRZSA-N 2 0 355.483 -0.936 20 0 FBADRP C[NH+]1CCN(CCNc2nccnc2NCCN2CC[NH+](C)CC2)CC1 ZINC000680952243 484919460 /nfs/dbraw/zinc/91/94/60/484919460.db2.gz QFPMISOXBAFCOI-UHFFFAOYSA-N 2 0 362.526 -0.205 20 0 FBADRP OCC[NH+]1CCCN(c2nccnc2N2CCC[N@@H+](CCO)CC2)CC1 ZINC000680955769 484919123 /nfs/dbraw/zinc/91/91/23/484919123.db2.gz RFOBHRCJKMLHNL-UHFFFAOYSA-N 2 0 364.494 -0.515 20 0 FBADRP C[C@H]1CN(c2nccnc2N2CCN(CCO)[C@@H](C)C2)CCN1CCO ZINC000681674426 484936834 /nfs/dbraw/zinc/93/68/34/484936834.db2.gz JGMKXLRMJOQKAW-HOTGVXAUSA-N 2 0 364.494 -0.518 20 0 FBADRP C[C@@H]1CN(c2nccnc2N2CCN(CCO)[C@H](C)C2)CCN1CCO ZINC000681674432 484937068 /nfs/dbraw/zinc/93/70/68/484937068.db2.gz JGMKXLRMJOQKAW-HZPDHXFCSA-N 2 0 364.494 -0.518 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CC[NH+](CCO)C(C)(C)C2)C1 ZINC000682035083 484953492 /nfs/dbraw/zinc/95/34/92/484953492.db2.gz GLTVKWUTZCQQSN-KRWDZBQOSA-N 2 0 370.538 -0.152 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CC[NH+](CCO)C(C)(C)C2)C1 ZINC000682035084 484953863 /nfs/dbraw/zinc/95/38/63/484953863.db2.gz GLTVKWUTZCQQSN-QGZVFWFLSA-N 2 0 370.538 -0.152 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(F)c(C(N)=O)c1 ZINC000682222187 484959337 /nfs/dbraw/zinc/95/93/37/484959337.db2.gz ICWKDMCCKBIQNL-UHFFFAOYSA-N 2 0 367.425 -0.185 20 0 FBADRP COc1ccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(OC)n1 ZINC000682222394 484959651 /nfs/dbraw/zinc/95/96/51/484959651.db2.gz SWSMCSYTGYGFSE-UHFFFAOYSA-N 2 0 367.450 -0.011 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1nc(CS(C)(=O)=O)no1 ZINC000682231370 484959715 /nfs/dbraw/zinc/95/97/15/484959715.db2.gz GHBPSRARWAAPKU-UHFFFAOYSA-N 2 0 362.456 -0.429 20 0 FBADRP C[NH+](C)CCOCCNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000682613102 484972282 /nfs/dbraw/zinc/97/22/82/484972282.db2.gz GCVQXWYJAUHHQG-INIZCTEOSA-N 2 0 357.499 -0.730 20 0 FBADRP C[NH+](C)CCOCCNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000682613104 484971944 /nfs/dbraw/zinc/97/19/44/484971944.db2.gz GCVQXWYJAUHHQG-MRXNPFEDSA-N 2 0 357.499 -0.730 20 0 FBADRP COC1(CO)CC[NH+](CCOCC[NH+]2CCC(CO)(OC)CC2)CC1 ZINC000683677175 484988562 /nfs/dbraw/zinc/98/85/62/484988562.db2.gz LEITVKSZRRCXNI-UHFFFAOYSA-N 2 0 360.495 -0.050 20 0 FBADRP O=C(N[C@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C1CC1)[C@H]1CCC[NH+]1C1CC1 ZINC000683871204 484993404 /nfs/dbraw/zinc/99/34/04/484993404.db2.gz UIKVDWWNWDFVCC-IAOVAPTHSA-N 2 0 364.490 -0.167 20 0 FBADRP O=C(N[C@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C1CC1)[C@@H]1CCC[NH+]1C1CC1 ZINC000683871205 484993135 /nfs/dbraw/zinc/99/31/35/484993135.db2.gz UIKVDWWNWDFVCC-JQFCIGGWSA-N 2 0 364.490 -0.167 20 0 FBADRP O=C(N[C@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C1CC1)[C@H]1CCC[NH+]1C1CC1 ZINC000683871206 484992547 /nfs/dbraw/zinc/99/25/47/484992547.db2.gz UIKVDWWNWDFVCC-RRQGHBQHSA-N 2 0 364.490 -0.167 20 0 FBADRP O=C(NC[C@@H](CO)NC(=O)[C@@H]1CCC[NH+]1C1CC1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000683871207 484993334 /nfs/dbraw/zinc/99/33/34/484993334.db2.gz UIKVDWWNWDFVCC-XKQJLSEDSA-N 2 0 364.490 -0.167 20 0 FBADRP CC[NH+](CC)CCS(=O)(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000685591383 485067296 /nfs/dbraw/zinc/06/72/96/485067296.db2.gz IZSUJALIDLVZCA-UHFFFAOYSA-N 2 0 360.524 -0.102 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000729436138 659963068 /nfs/dbraw/zinc/96/30/68/659963068.db2.gz NVWCAPVSSQNGKO-UHFFFAOYSA-N 2 0 369.491 -0.564 20 0 FBADRP Cn1cc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c(=O)n(C)c1=O ZINC000735054256 660374081 /nfs/dbraw/zinc/37/40/81/660374081.db2.gz RFVLIEAFTAFBQV-UHFFFAOYSA-N 2 0 353.467 -0.570 20 0 FBADRP C[C@H](C[NH2+]Cc1cnc2c(-c3nn[nH]n3)cnn2c1)CN1CC[NH+](C)CC1 ZINC000736024811 598284194 /nfs/dbraw/zinc/28/41/94/598284194.db2.gz GBSHKFINNBBCOI-CYBMUJFWSA-N 2 0 370.465 -0.118 20 0 FBADRP C[C@@H](C[NH2+]Cc1cnc2c(-c3nn[nH]n3)cnn2c1)CN1CC[NH+](C)CC1 ZINC000736024812 598284344 /nfs/dbraw/zinc/28/43/44/598284344.db2.gz GBSHKFINNBBCOI-ZDUSSCGKSA-N 2 0 370.465 -0.118 20 0 FBADRP C[C@@H](C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)CN1CC[NH+](C)CC1 ZINC000736025783 598530569 /nfs/dbraw/zinc/53/05/69/598530569.db2.gz NELQHGWRYBCLQI-KBPBESRZSA-N 2 0 374.497 -0.422 20 0 FBADRP C[C@H](C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)CN1CC[NH+](C)CC1 ZINC000736025789 598530196 /nfs/dbraw/zinc/53/01/96/598530196.db2.gz NELQHGWRYBCLQI-KGLIPLIRSA-N 2 0 374.497 -0.422 20 0 FBADRP C[C@@H](C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)CN1CC[NH+](C)CC1 ZINC000736025791 598530406 /nfs/dbraw/zinc/53/04/06/598530406.db2.gz NELQHGWRYBCLQI-UONOGXRCSA-N 2 0 374.497 -0.422 20 0 FBADRP C[C@H](C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)CN1CC[NH+](C)CC1 ZINC000736025793 598530459 /nfs/dbraw/zinc/53/04/59/598530459.db2.gz NELQHGWRYBCLQI-ZIAGYGMSSA-N 2 0 374.497 -0.422 20 0 FBADRP CC[NH+]1CCN([C@@H](C)C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)CC1 ZINC000736568950 598521700 /nfs/dbraw/zinc/52/17/00/598521700.db2.gz GIHQUBAUOJKIEA-KBPBESRZSA-N 2 0 374.497 -0.280 20 0 FBADRP CC[NH+]1CCN([C@H](C)C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)CC1 ZINC000736568952 598521782 /nfs/dbraw/zinc/52/17/82/598521782.db2.gz GIHQUBAUOJKIEA-KGLIPLIRSA-N 2 0 374.497 -0.280 20 0 FBADRP CC[NH+]1CCN([C@@H](C)C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)CC1 ZINC000736568954 598521702 /nfs/dbraw/zinc/52/17/02/598521702.db2.gz GIHQUBAUOJKIEA-UONOGXRCSA-N 2 0 374.497 -0.280 20 0 FBADRP CC[NH+]1CCN([C@H](C)C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)CC1 ZINC000736568956 598522124 /nfs/dbraw/zinc/52/21/24/598522124.db2.gz GIHQUBAUOJKIEA-ZIAGYGMSSA-N 2 0 374.497 -0.280 20 0 FBADRP CC[NH+]1CCN(CCC[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)CC1 ZINC000736569649 598521887 /nfs/dbraw/zinc/52/18/87/598521887.db2.gz SCDRGSVCFKTBPL-AWEZNQCLSA-N 2 0 374.497 -0.278 20 0 FBADRP CC[NH+]1CCN(CCC[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)CC1 ZINC000736569650 598522121 /nfs/dbraw/zinc/52/21/21/598522121.db2.gz SCDRGSVCFKTBPL-CQSZACIVSA-N 2 0 374.497 -0.278 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736767887 598813388 /nfs/dbraw/zinc/81/33/88/598813388.db2.gz SZBWJECYIUFBIJ-UHFFFAOYSA-N 2 0 367.479 -0.019 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000736768209 598813274 /nfs/dbraw/zinc/81/32/74/598813274.db2.gz YBEJMJUOTZBIGU-UHFFFAOYSA-N 2 0 367.479 -0.019 20 0 FBADRP C[NH+](C)CCN1CCC([NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)CC1 ZINC000736768950 598521906 /nfs/dbraw/zinc/52/19/06/598521906.db2.gz KIJXTRBYZMZQST-CYBMUJFWSA-N 2 0 374.497 -0.280 20 0 FBADRP C[NH+](C)CCN1CCC([NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)CC1 ZINC000736768951 598521958 /nfs/dbraw/zinc/52/19/58/598521958.db2.gz KIJXTRBYZMZQST-ZDUSSCGKSA-N 2 0 374.497 -0.280 20 0 FBADRP C[NH+]1CCN(C(C)(C)C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)CC1 ZINC000736856707 598521768 /nfs/dbraw/zinc/52/17/68/598521768.db2.gz NKCDAWZAZZKTRF-CYBMUJFWSA-N 2 0 374.497 -0.280 20 0 FBADRP C[NH+]1CCN(C(C)(C)C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)CC1 ZINC000736856710 598521838 /nfs/dbraw/zinc/52/18/38/598521838.db2.gz NKCDAWZAZZKTRF-ZDUSSCGKSA-N 2 0 374.497 -0.280 20 0 FBADRP C[N@@H+]1CCCN(CCC[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)CC1 ZINC000736857348 598530672 /nfs/dbraw/zinc/53/06/72/598530672.db2.gz RWFGKLAZPJJWEU-AWEZNQCLSA-N 2 0 374.497 -0.278 20 0 FBADRP C[N@@H+]1CCCN(CCC[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)CC1 ZINC000736857350 598530783 /nfs/dbraw/zinc/53/07/83/598530783.db2.gz RWFGKLAZPJJWEU-CQSZACIVSA-N 2 0 374.497 -0.278 20 0 FBADRP O[C@H](C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)C[NH+]1CCCCC1 ZINC000738381216 598525195 /nfs/dbraw/zinc/52/51/95/598525195.db2.gz JQRCTXLTQSHRML-CHWSQXEVSA-N 2 0 361.454 -0.459 20 0 FBADRP O[C@@H](C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)C[NH+]1CCCCC1 ZINC000738381218 598525095 /nfs/dbraw/zinc/52/50/95/598525095.db2.gz JQRCTXLTQSHRML-OLZOCXBDSA-N 2 0 361.454 -0.459 20 0 FBADRP O[C@H](C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)C[NH+]1CCCCC1 ZINC000738381220 598525122 /nfs/dbraw/zinc/52/51/22/598525122.db2.gz JQRCTXLTQSHRML-QWHCGFSZSA-N 2 0 361.454 -0.459 20 0 FBADRP O[C@@H](C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)C[NH+]1CCCCC1 ZINC000738381222 598524954 /nfs/dbraw/zinc/52/49/54/598524954.db2.gz JQRCTXLTQSHRML-STQMWFEESA-N 2 0 361.454 -0.459 20 0 FBADRP c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+]CCCC[NH+]1CCOCC1)C2 ZINC000738450121 598523845 /nfs/dbraw/zinc/52/38/45/598523845.db2.gz PTIQIVXCDYDLPS-CYBMUJFWSA-N 2 0 361.454 -0.193 20 0 FBADRP c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+]CCCC[NH+]1CCOCC1)C2 ZINC000738450122 598523641 /nfs/dbraw/zinc/52/36/41/598523641.db2.gz PTIQIVXCDYDLPS-ZDUSSCGKSA-N 2 0 361.454 -0.193 20 0 FBADRP C[NH+](C)CCCNC(=S)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000741502311 660564217 /nfs/dbraw/zinc/56/42/17/660564217.db2.gz SVCITFDWYCORKE-UHFFFAOYSA-N 2 0 355.512 -0.201 20 0 FBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=S)NC2CC[NH+](C)CC2)cn1 ZINC000741502361 660564255 /nfs/dbraw/zinc/56/42/55/660564255.db2.gz VMJAGHGKQAPVFF-UHFFFAOYSA-N 2 0 367.523 -0.059 20 0 FBADRP C[C@@H]1CN(C(=S)NCC[NH+](C)C)CCN1C(=S)NCC[NH+](C)C ZINC000747673184 660598231 /nfs/dbraw/zinc/59/82/31/660598231.db2.gz MARWRMGSKTWUGU-CYBMUJFWSA-N 2 0 360.597 -0.135 20 0 FBADRP C[C@H]1CN(C[C@@H](O)C[NH+]2CCCC2)CCN1C[C@@H](O)C[NH+]1CCCC1 ZINC000749326159 660610545 /nfs/dbraw/zinc/61/05/45/660610545.db2.gz YTUOVEGZBYQKRW-FHWLQOOXSA-N 2 0 354.539 -0.094 20 0 FBADRP C[C@H]1CN(C[C@@H](O)C[NH+]2CCCC2)CCN1C[C@H](O)C[NH+]1CCCC1 ZINC000749326161 660610536 /nfs/dbraw/zinc/61/05/36/660610536.db2.gz YTUOVEGZBYQKRW-GBESFXJTSA-N 2 0 354.539 -0.094 20 0 FBADRP C[C@H]1CN(C[C@H](O)C[NH+]2CCCC2)CCN1C[C@H](O)C[NH+]1CCCC1 ZINC000749326163 660610501 /nfs/dbraw/zinc/61/05/01/660610501.db2.gz YTUOVEGZBYQKRW-IPMKNSEASA-N 2 0 354.539 -0.094 20 0 FBADRP C[C@H]1CN(C[C@H](O)C[NH+]2CCCC2)CCN1C[C@@H](O)C[NH+]1CCCC1 ZINC000749326167 660610483 /nfs/dbraw/zinc/61/04/83/660610483.db2.gz YTUOVEGZBYQKRW-OTWHNJEPSA-N 2 0 354.539 -0.094 20 0 FBADRP C[C@@H]1CN(C[C@@H](O)C[NH+]2CCCC2)CCN1C[C@H](O)C[NH+]1CCCC1 ZINC000749366999 660610855 /nfs/dbraw/zinc/61/08/55/660610855.db2.gz YTUOVEGZBYQKRW-CEXWTWQISA-N 2 0 354.539 -0.094 20 0 FBADRP C[C@@H]1CN(C[C@H](O)C[NH+]2CCCC2)CCN1C[C@H](O)C[NH+]1CCCC1 ZINC000749367000 660610863 /nfs/dbraw/zinc/61/08/63/660610863.db2.gz YTUOVEGZBYQKRW-GUDVDZBRSA-N 2 0 354.539 -0.094 20 0 FBADRP C[C@@H]1CN(C[C@H](O)C[NH+]2CCCC2)CCN1C[C@@H](O)C[NH+]1CCCC1 ZINC000749367001 660610835 /nfs/dbraw/zinc/61/08/35/660610835.db2.gz YTUOVEGZBYQKRW-QRVBRYPASA-N 2 0 354.539 -0.094 20 0 FBADRP C[C@@H]1CN(C[C@@H](O)C[NH+]2CCCC2)CCN1C[C@@H](O)C[NH+]1CCCC1 ZINC000749367002 660610824 /nfs/dbraw/zinc/61/08/24/660610824.db2.gz YTUOVEGZBYQKRW-QYZOEREBSA-N 2 0 354.539 -0.094 20 0 FBADRP COC(=O)c1c(C)[nH]nc1S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000751067565 660627115 /nfs/dbraw/zinc/62/71/15/660627115.db2.gz UCGNWSMOCIZGIL-UHFFFAOYSA-N 2 0 361.468 -0.381 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000766799218 660742164 /nfs/dbraw/zinc/74/21/64/660742164.db2.gz HILNJKCUBXAJTL-UHFFFAOYSA-N 2 0 364.512 -0.505 20 0 FBADRP CC(C)[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000774854634 660804426 /nfs/dbraw/zinc/80/44/26/660804426.db2.gz BLZMPLYHNGIVAN-CVEARBPZSA-N 2 0 352.479 -0.045 20 0 FBADRP CC(C)[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000774854637 660804469 /nfs/dbraw/zinc/80/44/69/660804469.db2.gz BLZMPLYHNGIVAN-HOTGVXAUSA-N 2 0 352.479 -0.045 20 0 FBADRP CC(C)[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000774854639 660804417 /nfs/dbraw/zinc/80/44/17/660804417.db2.gz BLZMPLYHNGIVAN-HZPDHXFCSA-N 2 0 352.479 -0.045 20 0 FBADRP CC(C)[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000774854641 660804335 /nfs/dbraw/zinc/80/43/35/660804335.db2.gz BLZMPLYHNGIVAN-JKSUJKDBSA-N 2 0 352.479 -0.045 20 0 FBADRP C[NH+](C)C1(CNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CCCC1 ZINC000774864963 660804309 /nfs/dbraw/zinc/80/43/09/660804309.db2.gz JTCZLKVXTGYDAP-CABCVRRESA-N 2 0 352.479 -0.044 20 0 FBADRP C[NH+](C)C1(CNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CCCC1 ZINC000774864968 660804397 /nfs/dbraw/zinc/80/43/97/660804397.db2.gz JTCZLKVXTGYDAP-GJZGRUSLSA-N 2 0 352.479 -0.044 20 0 FBADRP C[NH+](C)C1(CNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CCCC1 ZINC000774864973 660804344 /nfs/dbraw/zinc/80/43/44/660804344.db2.gz JTCZLKVXTGYDAP-HUUCEWRRSA-N 2 0 352.479 -0.044 20 0 FBADRP C[NH+](C)C1(CNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CCCC1 ZINC000774864981 660804434 /nfs/dbraw/zinc/80/44/34/660804434.db2.gz JTCZLKVXTGYDAP-LSDHHAIUSA-N 2 0 352.479 -0.044 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccn(CCS(C)(=O)=O)n1 ZINC000784444628 660863895 /nfs/dbraw/zinc/86/38/95/660863895.db2.gz HXVULKRQTSTYPC-UHFFFAOYSA-N 2 0 374.511 -0.115 20 0 FBADRP O=C(NCCC[NH+]1CCCCC1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000785518696 660870534 /nfs/dbraw/zinc/87/05/34/660870534.db2.gz WTPFNNXAZKJKPI-CVEARBPZSA-N 2 0 352.479 -0.042 20 0 FBADRP O=C(NCCC[NH+]1CCCCC1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000785518697 660870467 /nfs/dbraw/zinc/87/04/67/660870467.db2.gz WTPFNNXAZKJKPI-HOTGVXAUSA-N 2 0 352.479 -0.042 20 0 FBADRP O=C(NCCC[NH+]1CCCCC1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000785518698 660870519 /nfs/dbraw/zinc/87/05/19/660870519.db2.gz WTPFNNXAZKJKPI-HZPDHXFCSA-N 2 0 352.479 -0.042 20 0 FBADRP O=C(NCCC[NH+]1CCCCC1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000785518699 660870378 /nfs/dbraw/zinc/87/03/78/660870378.db2.gz WTPFNNXAZKJKPI-JKSUJKDBSA-N 2 0 352.479 -0.042 20 0 FBADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000786086092 660875240 /nfs/dbraw/zinc/87/52/40/660875240.db2.gz MSGGQDNRYPFFGZ-CVEARBPZSA-N 2 0 350.463 -0.291 20 0 FBADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000786086095 660875304 /nfs/dbraw/zinc/87/53/04/660875304.db2.gz MSGGQDNRYPFFGZ-HOTGVXAUSA-N 2 0 350.463 -0.291 20 0 FBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000786086096 660875206 /nfs/dbraw/zinc/87/52/06/660875206.db2.gz MSGGQDNRYPFFGZ-HZPDHXFCSA-N 2 0 350.463 -0.291 20 0 FBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000786086097 660875312 /nfs/dbraw/zinc/87/53/12/660875312.db2.gz MSGGQDNRYPFFGZ-JKSUJKDBSA-N 2 0 350.463 -0.291 20 0 FBADRP C[N@H+](CCNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)C1CC1 ZINC000787099671 660883167 /nfs/dbraw/zinc/88/31/67/660883167.db2.gz BHBMQXUGKWQYDW-INIZCTEOSA-N 2 0 352.479 -0.044 20 0 FBADRP C[N@H+](CCNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)C1CC1 ZINC000787099674 660883226 /nfs/dbraw/zinc/88/32/26/660883226.db2.gz BHBMQXUGKWQYDW-MRXNPFEDSA-N 2 0 352.479 -0.044 20 0 FBADRP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000787121162 660883292 /nfs/dbraw/zinc/88/32/92/660883292.db2.gz DIRPVNHNNYHWST-CVEARBPZSA-N 2 0 352.479 -0.044 20 0 FBADRP C[N@@H+]1CCC[C@H](NC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000787121163 660883193 /nfs/dbraw/zinc/88/31/93/660883193.db2.gz DIRPVNHNNYHWST-HOTGVXAUSA-N 2 0 352.479 -0.044 20 0 FBADRP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000787121164 660883158 /nfs/dbraw/zinc/88/31/58/660883158.db2.gz DIRPVNHNNYHWST-HZPDHXFCSA-N 2 0 352.479 -0.044 20 0 FBADRP C[N@@H+]1CCC[C@H](NC(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000787121165 660883315 /nfs/dbraw/zinc/88/33/15/660883315.db2.gz DIRPVNHNNYHWST-JKSUJKDBSA-N 2 0 352.479 -0.044 20 0 FBADRP CC1CC[NH+](CCNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000787664759 660886993 /nfs/dbraw/zinc/88/69/93/660886993.db2.gz UTTVBLMIZFRSAO-CVEARBPZSA-N 2 0 352.479 -0.186 20 0 FBADRP CC1CC[NH+](CCNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000787664760 660887167 /nfs/dbraw/zinc/88/71/67/660887167.db2.gz UTTVBLMIZFRSAO-HOTGVXAUSA-N 2 0 352.479 -0.186 20 0 FBADRP CC1CC[NH+](CCNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000787664761 660886978 /nfs/dbraw/zinc/88/69/78/660886978.db2.gz UTTVBLMIZFRSAO-HZPDHXFCSA-N 2 0 352.479 -0.186 20 0 FBADRP CC1CC[NH+](CCNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000787664762 660887021 /nfs/dbraw/zinc/88/70/21/660887021.db2.gz UTTVBLMIZFRSAO-JKSUJKDBSA-N 2 0 352.479 -0.186 20 0 FBADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000787670936 660887082 /nfs/dbraw/zinc/88/70/82/660887082.db2.gz OMQFJLXCFILQGI-BZUAXINKSA-N 2 0 352.479 -0.186 20 0 FBADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000787670937 660887236 /nfs/dbraw/zinc/88/72/36/660887236.db2.gz OMQFJLXCFILQGI-OAGGEKHMSA-N 2 0 352.479 -0.186 20 0 FBADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000787670938 660886934 /nfs/dbraw/zinc/88/69/34/660886934.db2.gz OMQFJLXCFILQGI-OWCLPIDISA-N 2 0 352.479 -0.186 20 0 FBADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000787670939 660887199 /nfs/dbraw/zinc/88/71/99/660887199.db2.gz OMQFJLXCFILQGI-PMPSAXMXSA-N 2 0 352.479 -0.186 20 0 FBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000787753626 660887735 /nfs/dbraw/zinc/88/77/35/660887735.db2.gz ZUXUHLSRZGAMND-BZUAXINKSA-N 2 0 352.479 -0.044 20 0 FBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000787753628 660887764 /nfs/dbraw/zinc/88/77/64/660887764.db2.gz ZUXUHLSRZGAMND-OAGGEKHMSA-N 2 0 352.479 -0.044 20 0 FBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000787753630 660887896 /nfs/dbraw/zinc/88/78/96/660887896.db2.gz ZUXUHLSRZGAMND-OWCLPIDISA-N 2 0 352.479 -0.044 20 0 FBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000787753631 660887787 /nfs/dbraw/zinc/88/77/87/660887787.db2.gz ZUXUHLSRZGAMND-PMPSAXMXSA-N 2 0 352.479 -0.044 20 0 FBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CCSC1 ZINC000788244947 660891710 /nfs/dbraw/zinc/89/17/10/660891710.db2.gz OYPMBWZXELWVTG-CPUCHLNUSA-N 2 0 370.519 -0.481 20 0 FBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CCSC1 ZINC000788244999 660891592 /nfs/dbraw/zinc/89/15/92/660891592.db2.gz OYPMBWZXELWVTG-KEYYUXOJSA-N 2 0 370.519 -0.481 20 0 FBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CCSC1 ZINC000788245003 660891618 /nfs/dbraw/zinc/89/16/18/660891618.db2.gz OYPMBWZXELWVTG-VBQJREDUSA-N 2 0 370.519 -0.481 20 0 FBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CCSC1 ZINC000788245008 660891752 /nfs/dbraw/zinc/89/17/52/660891752.db2.gz OYPMBWZXELWVTG-ZQIUZPCESA-N 2 0 370.519 -0.481 20 0 FBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000788571143 660895018 /nfs/dbraw/zinc/89/50/18/660895018.db2.gz JRGOGFOCDNZWIZ-CAOSSQGBSA-N 2 0 350.463 -0.291 20 0 FBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000788571145 660894842 /nfs/dbraw/zinc/89/48/42/660894842.db2.gz JRGOGFOCDNZWIZ-KLHDSHLOSA-N 2 0 350.463 -0.291 20 0 FBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000788571147 660894878 /nfs/dbraw/zinc/89/48/78/660894878.db2.gz JRGOGFOCDNZWIZ-QKPAOTATSA-N 2 0 350.463 -0.291 20 0 FBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000788571149 660895039 /nfs/dbraw/zinc/89/50/39/660895039.db2.gz JRGOGFOCDNZWIZ-ZJIFWQFVSA-N 2 0 350.463 -0.291 20 0 FBADRP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000788799132 660896180 /nfs/dbraw/zinc/89/61/80/660896180.db2.gz RPVBCWUVBMNQJA-BPUTZDHNSA-N 2 0 350.463 -0.434 20 0 FBADRP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000788799134 660896304 /nfs/dbraw/zinc/89/63/04/660896304.db2.gz RPVBCWUVBMNQJA-CWRNSKLLSA-N 2 0 350.463 -0.434 20 0 FBADRP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000788799136 660896240 /nfs/dbraw/zinc/89/62/40/660896240.db2.gz RPVBCWUVBMNQJA-IMJJTQAJSA-N 2 0 350.463 -0.434 20 0 FBADRP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000788799138 660896202 /nfs/dbraw/zinc/89/62/02/660896202.db2.gz RPVBCWUVBMNQJA-NUEKZKHPSA-N 2 0 350.463 -0.434 20 0 FBADRP COCC[N@H+](C)CCCNC(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000788922184 660896980 /nfs/dbraw/zinc/89/69/80/660896980.db2.gz WLLSACFOWBCPAW-CABCVRRESA-N 2 0 356.467 -0.950 20 0 FBADRP COCC[N@H+](C)CCCNC(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000788922190 660896948 /nfs/dbraw/zinc/89/69/48/660896948.db2.gz WLLSACFOWBCPAW-GJZGRUSLSA-N 2 0 356.467 -0.950 20 0 FBADRP COCC[N@H+](C)CCCNC(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000788922191 660896868 /nfs/dbraw/zinc/89/68/68/660896868.db2.gz WLLSACFOWBCPAW-HUUCEWRRSA-N 2 0 356.467 -0.950 20 0 FBADRP COCC[N@H+](C)CCCNC(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000788922192 660896842 /nfs/dbraw/zinc/89/68/42/660896842.db2.gz WLLSACFOWBCPAW-LSDHHAIUSA-N 2 0 356.467 -0.950 20 0 FBADRP C[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C[NH+]1CCCC1 ZINC000790184770 660904210 /nfs/dbraw/zinc/90/42/10/660904210.db2.gz ARPAFDGDHRTQSW-BZUAXINKSA-N 2 0 352.479 -0.186 20 0 FBADRP C[C@H](CNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C[NH+]1CCCC1 ZINC000790184772 660904168 /nfs/dbraw/zinc/90/41/68/660904168.db2.gz ARPAFDGDHRTQSW-OAGGEKHMSA-N 2 0 352.479 -0.186 20 0 FBADRP C[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C[NH+]1CCCC1 ZINC000790184774 660904268 /nfs/dbraw/zinc/90/42/68/660904268.db2.gz ARPAFDGDHRTQSW-OWCLPIDISA-N 2 0 352.479 -0.186 20 0 FBADRP C[C@H](CNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C[NH+]1CCCC1 ZINC000790184775 660904142 /nfs/dbraw/zinc/90/41/42/660904142.db2.gz ARPAFDGDHRTQSW-PMPSAXMXSA-N 2 0 352.479 -0.186 20 0 FBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N[C@@H]1CC[NH+]2CCCC[C@@H]12 ZINC000790274677 660904675 /nfs/dbraw/zinc/90/46/75/660904675.db2.gz UGBNOGBMTLJSFR-FPCVCCKLSA-N 2 0 350.463 -0.291 20 0 FBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N[C@@H]1CC[NH+]2CCCC[C@H]12 ZINC000790274679 660904701 /nfs/dbraw/zinc/90/47/01/660904701.db2.gz UGBNOGBMTLJSFR-KLHDSHLOSA-N 2 0 350.463 -0.291 20 0 FBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N[C@H]1CC[NH+]2CCCC[C@H]12 ZINC000790274681 660904751 /nfs/dbraw/zinc/90/47/51/660904751.db2.gz UGBNOGBMTLJSFR-LVQVYYBASA-N 2 0 350.463 -0.291 20 0 FBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N[C@H]1CC[NH+]2CCCC[C@@H]12 ZINC000790274683 660904730 /nfs/dbraw/zinc/90/47/30/660904730.db2.gz UGBNOGBMTLJSFR-WCVJEAGWSA-N 2 0 350.463 -0.291 20 0 FBADRP C[C@@H](CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)[NH+]1CCCCC1 ZINC000793699102 660922691 /nfs/dbraw/zinc/92/26/91/660922691.db2.gz LUEBKMIQAGMDJL-INIZCTEOSA-N 3 0 355.527 -0.071 20 0 FBADRP C[C@H](CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)[NH+]1CCCCC1 ZINC000793699103 660922668 /nfs/dbraw/zinc/92/26/68/660922668.db2.gz LUEBKMIQAGMDJL-MRXNPFEDSA-N 3 0 355.527 -0.071 20 0 FBADRP C[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[NH+]1CCCCC1 ZINC000793715699 660922954 /nfs/dbraw/zinc/92/29/54/660922954.db2.gz WQUBHXTVGZWGII-BZUAXINKSA-N 2 0 352.479 -0.044 20 0 FBADRP C[C@H](CNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)[NH+]1CCCCC1 ZINC000793715700 660923022 /nfs/dbraw/zinc/92/30/22/660923022.db2.gz WQUBHXTVGZWGII-OAGGEKHMSA-N 2 0 352.479 -0.044 20 0 FBADRP C[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[NH+]1CCCCC1 ZINC000793715701 660923108 /nfs/dbraw/zinc/92/31/08/660923108.db2.gz WQUBHXTVGZWGII-OWCLPIDISA-N 2 0 352.479 -0.044 20 0 FBADRP C[C@H](CNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)[NH+]1CCCCC1 ZINC000793715702 660923059 /nfs/dbraw/zinc/92/30/59/660923059.db2.gz WQUBHXTVGZWGII-PMPSAXMXSA-N 2 0 352.479 -0.044 20 0 FBADRP CC[NH+]1CCC(CNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000793814071 660923554 /nfs/dbraw/zinc/92/35/54/660923554.db2.gz LZWVWQQOFHIQKY-CVEARBPZSA-N 2 0 352.479 -0.186 20 0 FBADRP CC[NH+]1CCC(CNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000793814073 660923714 /nfs/dbraw/zinc/92/37/14/660923714.db2.gz LZWVWQQOFHIQKY-HOTGVXAUSA-N 2 0 352.479 -0.186 20 0 FBADRP CC[NH+]1CCC(CNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000793814077 660923668 /nfs/dbraw/zinc/92/36/68/660923668.db2.gz LZWVWQQOFHIQKY-HZPDHXFCSA-N 2 0 352.479 -0.186 20 0 FBADRP CC[NH+]1CCC(CNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000793814175 660923613 /nfs/dbraw/zinc/92/36/13/660923613.db2.gz LZWVWQQOFHIQKY-JKSUJKDBSA-N 2 0 352.479 -0.186 20 0 FBADRP COC(=O)[C@H]1[C@@H]2C[NH+](CCOCC[N@@H+]3C[C@H]4[C@H](C(=O)OC)[C@H]4C3)C[C@@H]21 ZINC000794966350 660936466 /nfs/dbraw/zinc/93/64/66/660936466.db2.gz FNBUFLUHGOZUGC-FRMPLNAESA-N 2 0 352.431 -0.295 20 0 FBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000804048954 660966641 /nfs/dbraw/zinc/96/66/41/660966641.db2.gz AQCZWEZSMPQCOM-BZUAXINKSA-N 2 0 352.479 -0.092 20 0 FBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000804048961 660966612 /nfs/dbraw/zinc/96/66/12/660966612.db2.gz AQCZWEZSMPQCOM-OAGGEKHMSA-N 2 0 352.479 -0.092 20 0 FBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000804048963 660966538 /nfs/dbraw/zinc/96/65/38/660966538.db2.gz AQCZWEZSMPQCOM-OWCLPIDISA-N 2 0 352.479 -0.092 20 0 FBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000804048965 660966608 /nfs/dbraw/zinc/96/66/08/660966608.db2.gz AQCZWEZSMPQCOM-PMPSAXMXSA-N 2 0 352.479 -0.092 20 0 FBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000804049590 660966619 /nfs/dbraw/zinc/96/66/19/660966619.db2.gz DRCYRDWXWGKPAP-ARFHVFGLSA-N 2 0 350.463 -0.338 20 0 FBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000804049591 660966555 /nfs/dbraw/zinc/96/65/55/660966555.db2.gz DRCYRDWXWGKPAP-BZUAXINKSA-N 2 0 350.463 -0.338 20 0 FBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000804049592 660966527 /nfs/dbraw/zinc/96/65/27/660966527.db2.gz DRCYRDWXWGKPAP-HRCADAONSA-N 2 0 350.463 -0.338 20 0 FBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000804049593 660966584 /nfs/dbraw/zinc/96/65/84/660966584.db2.gz DRCYRDWXWGKPAP-OWCLPIDISA-N 2 0 350.463 -0.338 20 0 FBADRP CN(C(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000804051533 660966838 /nfs/dbraw/zinc/96/68/38/660966838.db2.gz SIOPNYZJICASTJ-ARFHVFGLSA-N 2 0 350.463 -0.339 20 0 FBADRP CN(C(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000804051534 660967389 /nfs/dbraw/zinc/96/73/89/660967389.db2.gz SIOPNYZJICASTJ-BZUAXINKSA-N 2 0 350.463 -0.339 20 0 FBADRP CN(C(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000804051535 660967262 /nfs/dbraw/zinc/96/72/62/660967262.db2.gz SIOPNYZJICASTJ-HRCADAONSA-N 2 0 350.463 -0.339 20 0 FBADRP CN(C(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000804051536 660967177 /nfs/dbraw/zinc/96/71/77/660967177.db2.gz SIOPNYZJICASTJ-OWCLPIDISA-N 2 0 350.463 -0.339 20 0 FBADRP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000804052528 660967151 /nfs/dbraw/zinc/96/71/51/660967151.db2.gz FPIXJOWSBKKMGL-BZUAXINKSA-N 2 0 352.479 -0.186 20 0 FBADRP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000804052529 660967282 /nfs/dbraw/zinc/96/72/82/660967282.db2.gz FPIXJOWSBKKMGL-OAGGEKHMSA-N 2 0 352.479 -0.186 20 0 FBADRP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000804052530 660967319 /nfs/dbraw/zinc/96/73/19/660967319.db2.gz FPIXJOWSBKKMGL-OWCLPIDISA-N 2 0 352.479 -0.186 20 0 FBADRP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000804052532 660967226 /nfs/dbraw/zinc/96/72/26/660967226.db2.gz FPIXJOWSBKKMGL-PMPSAXMXSA-N 2 0 352.479 -0.186 20 0 FBADRP COCCC[N@H+](C)CCNC(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000804052971 660967249 /nfs/dbraw/zinc/96/72/49/660967249.db2.gz GNYHLZQCUABMFK-CABCVRRESA-N 2 0 356.467 -0.950 20 0 FBADRP COCCC[N@H+](C)CCNC(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000804052972 660967140 /nfs/dbraw/zinc/96/71/40/660967140.db2.gz GNYHLZQCUABMFK-GJZGRUSLSA-N 2 0 356.467 -0.950 20 0 FBADRP COCCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000804052973 660967269 /nfs/dbraw/zinc/96/72/69/660967269.db2.gz GNYHLZQCUABMFK-HUUCEWRRSA-N 2 0 356.467 -0.950 20 0 FBADRP COCCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000804052974 660967371 /nfs/dbraw/zinc/96/73/71/660967371.db2.gz GNYHLZQCUABMFK-LSDHHAIUSA-N 2 0 356.467 -0.950 20 0 FBADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000804055148 660967708 /nfs/dbraw/zinc/96/77/08/660967708.db2.gz YLXNRNYRFYKWAO-ARFHVFGLSA-N 2 0 352.479 -0.234 20 0 FBADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000804055149 660967555 /nfs/dbraw/zinc/96/75/55/660967555.db2.gz YLXNRNYRFYKWAO-HRCADAONSA-N 2 0 352.479 -0.234 20 0 FBADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000804055150 660967491 /nfs/dbraw/zinc/96/74/91/660967491.db2.gz YLXNRNYRFYKWAO-JYJNAYRXSA-N 2 0 352.479 -0.234 20 0 FBADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000804055151 660967733 /nfs/dbraw/zinc/96/77/33/660967733.db2.gz YLXNRNYRFYKWAO-XHSDSOJGSA-N 2 0 352.479 -0.234 20 0 FBADRP C[N@H+](CCNC(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1)C1CCCC1 ZINC000804056685 660968042 /nfs/dbraw/zinc/96/80/42/660968042.db2.gz LEILUTMIARIKBJ-CVEARBPZSA-N 2 0 352.479 -0.044 20 0 FBADRP C[N@H+](CCNC(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1)C1CCCC1 ZINC000804056686 660968157 /nfs/dbraw/zinc/96/81/57/660968157.db2.gz LEILUTMIARIKBJ-HOTGVXAUSA-N 2 0 352.479 -0.044 20 0 FBADRP C[N@H+](CCNC(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)C1CCCC1 ZINC000804056687 660967964 /nfs/dbraw/zinc/96/79/64/660967964.db2.gz LEILUTMIARIKBJ-HZPDHXFCSA-N 2 0 352.479 -0.044 20 0 FBADRP C[N@H+](CCNC(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1)C1CCCC1 ZINC000804056688 660968078 /nfs/dbraw/zinc/96/80/78/660968078.db2.gz LEILUTMIARIKBJ-JKSUJKDBSA-N 2 0 352.479 -0.044 20 0 FBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000804056737 660968115 /nfs/dbraw/zinc/96/81/15/660968115.db2.gz LOXLNPVBSNLABG-BZUAXINKSA-N 2 0 352.479 -0.044 20 0 FBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000804056738 660967980 /nfs/dbraw/zinc/96/79/80/660967980.db2.gz LOXLNPVBSNLABG-OAGGEKHMSA-N 2 0 352.479 -0.044 20 0 FBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000804056739 660968127 /nfs/dbraw/zinc/96/81/27/660968127.db2.gz LOXLNPVBSNLABG-OWCLPIDISA-N 2 0 352.479 -0.044 20 0 FBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000804056740 660968105 /nfs/dbraw/zinc/96/81/05/660968105.db2.gz LOXLNPVBSNLABG-PMPSAXMXSA-N 2 0 352.479 -0.044 20 0 FBADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000804057892 660968572 /nfs/dbraw/zinc/96/85/72/660968572.db2.gz CEVUQHJWIMUVEB-ARFHVFGLSA-N 2 0 352.479 -0.234 20 0 FBADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000804057894 660968383 /nfs/dbraw/zinc/96/83/83/660968383.db2.gz CEVUQHJWIMUVEB-HRCADAONSA-N 2 0 352.479 -0.234 20 0 FBADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000804057895 660968650 /nfs/dbraw/zinc/96/86/50/660968650.db2.gz CEVUQHJWIMUVEB-JYJNAYRXSA-N 2 0 352.479 -0.234 20 0 FBADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000804057897 660968326 /nfs/dbraw/zinc/96/83/26/660968326.db2.gz CEVUQHJWIMUVEB-XHSDSOJGSA-N 2 0 352.479 -0.234 20 0 FBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000804058043 660968349 /nfs/dbraw/zinc/96/83/49/660968349.db2.gz YZANFWLHTHEFLD-ARFHVFGLSA-N 2 0 350.463 -0.434 20 0 FBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000804058044 660968339 /nfs/dbraw/zinc/96/83/39/660968339.db2.gz YZANFWLHTHEFLD-BZUAXINKSA-N 2 0 350.463 -0.434 20 0 FBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000804058045 660968529 /nfs/dbraw/zinc/96/85/29/660968529.db2.gz YZANFWLHTHEFLD-HRCADAONSA-N 2 0 350.463 -0.434 20 0 FBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000804058046 660968636 /nfs/dbraw/zinc/96/86/36/660968636.db2.gz YZANFWLHTHEFLD-OWCLPIDISA-N 2 0 350.463 -0.434 20 0 FBADRP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)C[N@@H+]1C1CC1 ZINC000804058100 660968476 /nfs/dbraw/zinc/96/84/76/660968476.db2.gz CPMDCDYWWLNIOB-BFJAYTPKSA-N 2 0 350.463 -0.293 20 0 FBADRP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)C[N@@H+]1C1CC1 ZINC000804058103 660968606 /nfs/dbraw/zinc/96/86/06/660968606.db2.gz CPMDCDYWWLNIOB-CLWVCHIJSA-N 2 0 350.463 -0.293 20 0 FBADRP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)C[N@@H+]1C1CC1 ZINC000804058105 660968407 /nfs/dbraw/zinc/96/84/07/660968407.db2.gz CPMDCDYWWLNIOB-OCVGTWLNSA-N 2 0 350.463 -0.293 20 0 FBADRP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)C[N@@H+]1C1CC1 ZINC000804058107 660968495 /nfs/dbraw/zinc/96/84/95/660968495.db2.gz CPMDCDYWWLNIOB-VRKREXBASA-N 2 0 350.463 -0.293 20 0 FBADRP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000804059023 660968396 /nfs/dbraw/zinc/96/83/96/660968396.db2.gz XOZJRJUCCOTZOW-CVEARBPZSA-N 2 0 352.479 -0.234 20 0 FBADRP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000804059025 660968620 /nfs/dbraw/zinc/96/86/20/660968620.db2.gz XOZJRJUCCOTZOW-HOTGVXAUSA-N 2 0 352.479 -0.234 20 0 FBADRP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000804059027 660968356 /nfs/dbraw/zinc/96/83/56/660968356.db2.gz XOZJRJUCCOTZOW-HZPDHXFCSA-N 2 0 352.479 -0.234 20 0 FBADRP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000804059029 660968402 /nfs/dbraw/zinc/96/84/02/660968402.db2.gz XOZJRJUCCOTZOW-JKSUJKDBSA-N 2 0 352.479 -0.234 20 0 FBADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000804059164 660969022 /nfs/dbraw/zinc/96/90/22/660969022.db2.gz HOHJAZYUSLSQLI-BZUAXINKSA-N 2 0 352.479 -0.045 20 0 FBADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000804059165 660968877 /nfs/dbraw/zinc/96/88/77/660968877.db2.gz HOHJAZYUSLSQLI-OAGGEKHMSA-N 2 0 352.479 -0.045 20 0 FBADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000804059167 660968980 /nfs/dbraw/zinc/96/89/80/660968980.db2.gz HOHJAZYUSLSQLI-OWCLPIDISA-N 2 0 352.479 -0.045 20 0 FBADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000804059169 660968989 /nfs/dbraw/zinc/96/89/89/660968989.db2.gz HOHJAZYUSLSQLI-PMPSAXMXSA-N 2 0 352.479 -0.045 20 0 FBADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000804059311 660968900 /nfs/dbraw/zinc/96/89/00/660968900.db2.gz ZKXHGSFAYJPURC-FZKCQIBNSA-N 2 0 352.479 -0.045 20 0 FBADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000804059312 660968842 /nfs/dbraw/zinc/96/88/42/660968842.db2.gz ZKXHGSFAYJPURC-JJXSEGSLSA-N 2 0 352.479 -0.045 20 0 FBADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000804059313 660968913 /nfs/dbraw/zinc/96/89/13/660968913.db2.gz ZKXHGSFAYJPURC-XUWVNRHRSA-N 2 0 352.479 -0.045 20 0 FBADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000804059314 660968970 /nfs/dbraw/zinc/96/89/70/660968970.db2.gz ZKXHGSFAYJPURC-ZJIFWQFVSA-N 2 0 352.479 -0.045 20 0 FBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000804059644 660969014 /nfs/dbraw/zinc/96/90/14/660969014.db2.gz MUTQGZAGVFSNDJ-BZUAXINKSA-N 2 0 352.479 -0.044 20 0 FBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000804059645 660968887 /nfs/dbraw/zinc/96/88/87/660968887.db2.gz MUTQGZAGVFSNDJ-OAGGEKHMSA-N 2 0 352.479 -0.044 20 0 FBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000804059646 660968798 /nfs/dbraw/zinc/96/87/98/660968798.db2.gz MUTQGZAGVFSNDJ-OWCLPIDISA-N 2 0 352.479 -0.044 20 0 FBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000804059647 660968939 /nfs/dbraw/zinc/96/89/39/660968939.db2.gz MUTQGZAGVFSNDJ-PMPSAXMXSA-N 2 0 352.479 -0.044 20 0 FBADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000804059941 660969448 /nfs/dbraw/zinc/96/94/48/660969448.db2.gz OQOCZURLYHRYDO-FPCVCCKLSA-N 2 0 352.479 -0.236 20 0 FBADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000804059944 660969291 /nfs/dbraw/zinc/96/92/91/660969291.db2.gz OQOCZURLYHRYDO-QXSJWSMHSA-N 2 0 352.479 -0.236 20 0 FBADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000804059946 660969352 /nfs/dbraw/zinc/96/93/52/660969352.db2.gz OQOCZURLYHRYDO-UGUYLWEFSA-N 2 0 352.479 -0.236 20 0 FBADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000804059949 660969224 /nfs/dbraw/zinc/96/92/24/660969224.db2.gz OQOCZURLYHRYDO-WCVJEAGWSA-N 2 0 352.479 -0.236 20 0 FBADRP C[C@@H]1C[C@H](N(C)C(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)CC[N@@H+]1C ZINC000804060191 660969206 /nfs/dbraw/zinc/96/92/06/660969206.db2.gz MYXFDFWLDBURAY-FPCVCCKLSA-N 2 0 352.479 -0.093 20 0 FBADRP C[C@@H]1C[C@H](N(C)C(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)CC[N@@H+]1C ZINC000804060192 660969133 /nfs/dbraw/zinc/96/91/33/660969133.db2.gz MYXFDFWLDBURAY-KLHDSHLOSA-N 2 0 352.479 -0.093 20 0 FBADRP C[C@@H]1C[C@H](N(C)C(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)CC[N@@H+]1C ZINC000804060194 660969367 /nfs/dbraw/zinc/96/93/67/660969367.db2.gz MYXFDFWLDBURAY-LVQVYYBASA-N 2 0 352.479 -0.093 20 0 FBADRP C[C@@H]1C[C@H](N(C)C(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)CC[N@@H+]1C ZINC000804060196 660969315 /nfs/dbraw/zinc/96/93/15/660969315.db2.gz MYXFDFWLDBURAY-WCVJEAGWSA-N 2 0 352.479 -0.093 20 0 FBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000804060269 660969517 /nfs/dbraw/zinc/96/95/17/660969517.db2.gz NGLDBELYGWFZNU-BVUBDWEXSA-N 2 0 350.463 -0.435 20 0 FBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000804060270 660969477 /nfs/dbraw/zinc/96/94/77/660969477.db2.gz NGLDBELYGWFZNU-MIGQKNRLSA-N 2 0 350.463 -0.435 20 0 FBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000804060271 660969337 /nfs/dbraw/zinc/96/93/37/660969337.db2.gz NGLDBELYGWFZNU-OEAJRASXSA-N 2 0 350.463 -0.435 20 0 FBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000804060272 660969190 /nfs/dbraw/zinc/96/91/90/660969190.db2.gz NGLDBELYGWFZNU-OJLVUWQFSA-N 2 0 350.463 -0.435 20 0 FBADRP C[C@H](NC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C1=CC[NH+](C)CC1 ZINC000804060360 660969407 /nfs/dbraw/zinc/96/94/07/660969407.db2.gz OAFGIPNSSTYFPS-BPUTZDHNSA-N 2 0 350.463 -0.268 20 0 FBADRP C[C@H](NC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C1=CC[NH+](C)CC1 ZINC000804060364 660969534 /nfs/dbraw/zinc/96/95/34/660969534.db2.gz OAFGIPNSSTYFPS-CWRNSKLLSA-N 2 0 350.463 -0.268 20 0 FBADRP C[C@H](NC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C1=CC[NH+](C)CC1 ZINC000804060366 660969166 /nfs/dbraw/zinc/96/91/66/660969166.db2.gz OAFGIPNSSTYFPS-IMJJTQAJSA-N 2 0 350.463 -0.268 20 0 FBADRP C[C@H](NC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C1=CC[NH+](C)CC1 ZINC000804060367 660969380 /nfs/dbraw/zinc/96/93/80/660969380.db2.gz OAFGIPNSSTYFPS-NUEKZKHPSA-N 2 0 350.463 -0.268 20 0 FBADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)CC1 ZINC000804061094 660969873 /nfs/dbraw/zinc/96/98/73/660969873.db2.gz WDEKQANTHUIYIK-CVEARBPZSA-N 2 0 352.479 -0.092 20 0 FBADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)CC1 ZINC000804061095 660969945 /nfs/dbraw/zinc/96/99/45/660969945.db2.gz WDEKQANTHUIYIK-HOTGVXAUSA-N 2 0 352.479 -0.092 20 0 FBADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)CC1 ZINC000804061096 660969884 /nfs/dbraw/zinc/96/98/84/660969884.db2.gz WDEKQANTHUIYIK-HZPDHXFCSA-N 2 0 352.479 -0.092 20 0 FBADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)CC1 ZINC000804061097 660969795 /nfs/dbraw/zinc/96/97/95/660969795.db2.gz WDEKQANTHUIYIK-JKSUJKDBSA-N 2 0 352.479 -0.092 20 0 FBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000804061326 660969759 /nfs/dbraw/zinc/96/97/59/660969759.db2.gz XPWVRTUJMDMWSO-CABCVRRESA-N 2 0 356.467 -0.998 20 0 FBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000804061327 660969908 /nfs/dbraw/zinc/96/99/08/660969908.db2.gz XPWVRTUJMDMWSO-GJZGRUSLSA-N 2 0 356.467 -0.998 20 0 FBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000804061328 660969821 /nfs/dbraw/zinc/96/98/21/660969821.db2.gz XPWVRTUJMDMWSO-HUUCEWRRSA-N 2 0 356.467 -0.998 20 0 FBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000804061329 660970008 /nfs/dbraw/zinc/97/00/08/660970008.db2.gz XPWVRTUJMDMWSO-LSDHHAIUSA-N 2 0 356.467 -0.998 20 0 FBADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000804061980 660969709 /nfs/dbraw/zinc/96/97/09/660969709.db2.gz BWQJJCOPESBXRQ-CABCVRRESA-N 2 0 352.479 -0.092 20 0 FBADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000804061981 660969938 /nfs/dbraw/zinc/96/99/38/660969938.db2.gz BWQJJCOPESBXRQ-GJZGRUSLSA-N 2 0 352.479 -0.092 20 0 FBADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000804061982 660970014 /nfs/dbraw/zinc/97/00/14/660970014.db2.gz BWQJJCOPESBXRQ-HUUCEWRRSA-N 2 0 352.479 -0.092 20 0 FBADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000804061983 660969804 /nfs/dbraw/zinc/96/98/04/660969804.db2.gz BWQJJCOPESBXRQ-LSDHHAIUSA-N 2 0 352.479 -0.092 20 0 FBADRP CC(C)[NH2+]C1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000804062220 660970328 /nfs/dbraw/zinc/97/03/28/660970328.db2.gz DIZHGEMODBALKR-CVEARBPZSA-N 2 0 352.479 -0.045 20 0 FBADRP CC(C)[NH2+]C1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000804062221 660970265 /nfs/dbraw/zinc/97/02/65/660970265.db2.gz DIZHGEMODBALKR-HOTGVXAUSA-N 2 0 352.479 -0.045 20 0 FBADRP CC(C)[NH2+]C1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000804062222 660970203 /nfs/dbraw/zinc/97/02/03/660970203.db2.gz DIZHGEMODBALKR-HZPDHXFCSA-N 2 0 352.479 -0.045 20 0 FBADRP CC(C)[NH2+]C1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000804062223 660970305 /nfs/dbraw/zinc/97/03/05/660970305.db2.gz DIZHGEMODBALKR-JKSUJKDBSA-N 2 0 352.479 -0.045 20 0 FBADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000804064991 660970345 /nfs/dbraw/zinc/97/03/45/660970345.db2.gz ZFEUDIMAYKVWLO-CVEARBPZSA-N 2 0 352.479 -0.090 20 0 FBADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000804064992 660970310 /nfs/dbraw/zinc/97/03/10/660970310.db2.gz ZFEUDIMAYKVWLO-HOTGVXAUSA-N 2 0 352.479 -0.090 20 0 FBADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000804064994 660970207 /nfs/dbraw/zinc/97/02/07/660970207.db2.gz ZFEUDIMAYKVWLO-HZPDHXFCSA-N 2 0 352.479 -0.090 20 0 FBADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000804064997 660970253 /nfs/dbraw/zinc/97/02/53/660970253.db2.gz ZFEUDIMAYKVWLO-JKSUJKDBSA-N 2 0 352.479 -0.090 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CSCCS1 ZINC000806475831 660976125 /nfs/dbraw/zinc/97/61/25/660976125.db2.gz XSLVDZMCQWDOLK-CYBMUJFWSA-N 2 0 362.565 -0.097 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CSCCS1 ZINC000806475832 660976197 /nfs/dbraw/zinc/97/61/97/660976197.db2.gz XSLVDZMCQWDOLK-ZDUSSCGKSA-N 2 0 362.565 -0.097 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cnnn1C ZINC000810395804 661001273 /nfs/dbraw/zinc/00/12/73/661001273.db2.gz NMLIRFYVDWQPNP-CYBMUJFWSA-N 2 0 351.455 -0.372 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cnnn1C ZINC000810395808 661001382 /nfs/dbraw/zinc/00/13/82/661001382.db2.gz NMLIRFYVDWQPNP-ZDUSSCGKSA-N 2 0 351.455 -0.372 20 0 FBADRP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000811490962 661008319 /nfs/dbraw/zinc/00/83/19/661008319.db2.gz WWGSIGORWNXIOL-HOTGVXAUSA-N 2 0 354.495 -0.034 20 0 FBADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000817815692 661045837 /nfs/dbraw/zinc/04/58/37/661045837.db2.gz XTKGPWRLSZRHGY-ARFHVFGLSA-N 2 0 352.479 -0.093 20 0 FBADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000817815696 661045813 /nfs/dbraw/zinc/04/58/13/661045813.db2.gz XTKGPWRLSZRHGY-HRCADAONSA-N 2 0 352.479 -0.093 20 0 FBADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000817815699 661045957 /nfs/dbraw/zinc/04/59/57/661045957.db2.gz XTKGPWRLSZRHGY-JYJNAYRXSA-N 2 0 352.479 -0.093 20 0 FBADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000817815702 661045798 /nfs/dbraw/zinc/04/57/98/661045798.db2.gz XTKGPWRLSZRHGY-XHSDSOJGSA-N 2 0 352.479 -0.093 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000817954931 661048810 /nfs/dbraw/zinc/04/88/10/661048810.db2.gz NDFDWLNUVKFRNW-UHFFFAOYSA-N 3 0 353.511 -0.460 20 0 FBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCNS(=O)(=O)Cc2ccccc2)CC1 ZINC000818956875 661064911 /nfs/dbraw/zinc/06/49/11/661064911.db2.gz APSFHGFBZCPBDN-KRWDZBQOSA-N 2 0 370.519 -0.696 20 0 FBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCNS(=O)(=O)Cc2ccccc2)CC1 ZINC000818956876 661064880 /nfs/dbraw/zinc/06/48/80/661064880.db2.gz APSFHGFBZCPBDN-QGZVFWFLSA-N 2 0 370.519 -0.696 20 0 FBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCS(=O)(=O)Cc2ccccc2)CC1 ZINC000818977030 661065257 /nfs/dbraw/zinc/06/52/57/661065257.db2.gz QZMBBGTVQSVMMF-KRWDZBQOSA-N 2 0 355.504 -0.201 20 0 FBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCS(=O)(=O)Cc2ccccc2)CC1 ZINC000818977031 661065135 /nfs/dbraw/zinc/06/51/35/661065135.db2.gz QZMBBGTVQSVMMF-QGZVFWFLSA-N 2 0 355.504 -0.201 20 0 FBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCS(=O)(=O)CCc2ccccc2)CC1 ZINC000819290624 661067162 /nfs/dbraw/zinc/06/71/62/661067162.db2.gz FBTMPQAFYUUYMU-GOSISDBHSA-N 2 0 369.531 -0.158 20 0 FBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCS(=O)(=O)CCc2ccccc2)CC1 ZINC000819290626 661067284 /nfs/dbraw/zinc/06/72/84/661067284.db2.gz FBTMPQAFYUUYMU-SFHVURJKSA-N 2 0 369.531 -0.158 20 0 FBADRP O=C(C[NH+]1CCCC1)NCC1(NC(=O)C[NH+]2CCCC2)CCOCC1 ZINC000819971955 661071606 /nfs/dbraw/zinc/07/16/06/661071606.db2.gz RPGVRXHMWBDVJS-UHFFFAOYSA-N 2 0 352.479 -0.040 20 0 FBADRP C[NH+](C)C1CCN(CC[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)CC1 ZINC000821583492 606427789 /nfs/dbraw/zinc/42/77/89/606427789.db2.gz XPURSOGDKBIUKB-CYBMUJFWSA-N 2 0 374.497 -0.280 20 0 FBADRP C[NH+](C)C1CCN(CC[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)CC1 ZINC000821583493 606427795 /nfs/dbraw/zinc/42/77/95/606427795.db2.gz XPURSOGDKBIUKB-ZDUSSCGKSA-N 2 0 374.497 -0.280 20 0 FBADRP C[NH+](C)CCCN1C(=O)C[C@H]([N@@H+]2CC[C@H](CN3CCOC3=O)C2)C1=O ZINC000821775003 661086194 /nfs/dbraw/zinc/08/61/94/661086194.db2.gz LRSGPFMXQJQPTA-KBPBESRZSA-N 2 0 352.435 -0.160 20 0 FBADRP C[NH+](C)CCCN1C(=O)C[C@H]([N@@H+]2CC[C@@H](CN3CCOC3=O)C2)C1=O ZINC000821775006 661086050 /nfs/dbraw/zinc/08/60/50/661086050.db2.gz LRSGPFMXQJQPTA-KGLIPLIRSA-N 2 0 352.435 -0.160 20 0 FBADRP C[NH+](C)CCCN1C(=O)C[C@@H]([N@@H+]2CC[C@H](CN3CCOC3=O)C2)C1=O ZINC000821775007 661086153 /nfs/dbraw/zinc/08/61/53/661086153.db2.gz LRSGPFMXQJQPTA-UONOGXRCSA-N 2 0 352.435 -0.160 20 0 FBADRP C[NH+](C)CCCN1C(=O)C[C@@H]([N@@H+]2CC[C@@H](CN3CCOC3=O)C2)C1=O ZINC000821775009 661086186 /nfs/dbraw/zinc/08/61/86/661086186.db2.gz LRSGPFMXQJQPTA-ZIAGYGMSSA-N 2 0 352.435 -0.160 20 0 FBADRP O=C(C[NH+]1CCCC1)NCCN1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000822974000 661093235 /nfs/dbraw/zinc/09/32/35/661093235.db2.gz VBWHWGXKVCXIPS-UHFFFAOYSA-N 2 0 351.495 -0.562 20 0 FBADRP O=C(C[NH+]1CCCC1)NCC1(O)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000823694472 661097367 /nfs/dbraw/zinc/09/73/67/661097367.db2.gz CSGMZSCAJZWVKP-UHFFFAOYSA-N 2 0 352.479 -0.352 20 0 FBADRP CN1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC000824151202 661098489 /nfs/dbraw/zinc/09/84/89/661098489.db2.gz VOMGDYSUDFRPLH-INIZCTEOSA-N 2 0 351.495 -0.563 20 0 FBADRP CN1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC000824151203 661098638 /nfs/dbraw/zinc/09/86/38/661098638.db2.gz VOMGDYSUDFRPLH-MRXNPFEDSA-N 2 0 351.495 -0.563 20 0 FBADRP COC(=O)[C@H](CCNC(=O)C[NH+]1CCCC1)NC(=O)C[NH+]1CCCC1 ZINC000825285552 661103881 /nfs/dbraw/zinc/10/38/81/661103881.db2.gz AFKHXLBPQTZWEF-AWEZNQCLSA-N 2 0 354.451 -0.658 20 0 FBADRP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000825925147 661106817 /nfs/dbraw/zinc/10/68/17/661106817.db2.gz KOUXZPNATSJEHT-ILXRZTDVSA-N 2 0 353.467 -0.389 20 0 FBADRP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000825925148 661107067 /nfs/dbraw/zinc/10/70/67/661107067.db2.gz KOUXZPNATSJEHT-KFWWJZLASA-N 2 0 353.467 -0.389 20 0 FBADRP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000825925149 661106949 /nfs/dbraw/zinc/10/69/49/661106949.db2.gz KOUXZPNATSJEHT-QLFBSQMISA-N 2 0 353.467 -0.389 20 0 FBADRP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000825925150 661107001 /nfs/dbraw/zinc/10/70/01/661107001.db2.gz KOUXZPNATSJEHT-RBSFLKMASA-N 2 0 353.467 -0.389 20 0 FBADRP C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)c1-c1nn[nH]n1 ZINC000826077197 608114147 /nfs/dbraw/zinc/11/41/47/608114147.db2.gz DEOWIUUYCRVJPD-GFCCVEGCSA-N 2 0 374.453 -0.930 20 0 FBADRP C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)c1-c1nn[nH]n1 ZINC000826077198 608114045 /nfs/dbraw/zinc/11/40/45/608114045.db2.gz DEOWIUUYCRVJPD-LBPRGKRZSA-N 2 0 374.453 -0.930 20 0 FBADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000827705997 661121584 /nfs/dbraw/zinc/12/15/84/661121584.db2.gz JYKGUFKDFCVMMF-KKUMJFAQSA-N 2 0 352.479 -0.045 20 0 FBADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000827705998 661121650 /nfs/dbraw/zinc/12/16/50/661121650.db2.gz JYKGUFKDFCVMMF-RRFJBIMHSA-N 2 0 352.479 -0.045 20 0 FBADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000827705999 661121408 /nfs/dbraw/zinc/12/14/08/661121408.db2.gz JYKGUFKDFCVMMF-SOUVJXGZSA-N 2 0 352.479 -0.045 20 0 FBADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000827706000 661121565 /nfs/dbraw/zinc/12/15/65/661121565.db2.gz JYKGUFKDFCVMMF-ZNMIVQPWSA-N 2 0 352.479 -0.045 20 0 FBADRP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000827706369 661121480 /nfs/dbraw/zinc/12/14/80/661121480.db2.gz LRFXNSOOEJJTBX-ILXRZTDVSA-N 2 0 352.479 -0.045 20 0 FBADRP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000827706371 661121657 /nfs/dbraw/zinc/12/16/57/661121657.db2.gz LRFXNSOOEJJTBX-KFWWJZLASA-N 2 0 352.479 -0.045 20 0 FBADRP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000827706372 661121699 /nfs/dbraw/zinc/12/16/99/661121699.db2.gz LRFXNSOOEJJTBX-QLFBSQMISA-N 2 0 352.479 -0.045 20 0 FBADRP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000827706373 661121600 /nfs/dbraw/zinc/12/16/00/661121600.db2.gz LRFXNSOOEJJTBX-RBSFLKMASA-N 2 0 352.479 -0.045 20 0 FBADRP CCN(C(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)[C@H]1CC[N@H+](CC)C1 ZINC000827707443 661121430 /nfs/dbraw/zinc/12/14/30/661121430.db2.gz PWPGKWGQDZZLHX-ARFHVFGLSA-N 2 0 352.479 -0.092 20 0 FBADRP CCN(C(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1)[C@H]1CC[N@H+](CC)C1 ZINC000827707445 661121674 /nfs/dbraw/zinc/12/16/74/661121674.db2.gz PWPGKWGQDZZLHX-HRCADAONSA-N 2 0 352.479 -0.092 20 0 FBADRP CCN(C(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1)[C@H]1CC[N@H+](CC)C1 ZINC000827707447 661121531 /nfs/dbraw/zinc/12/15/31/661121531.db2.gz PWPGKWGQDZZLHX-JYJNAYRXSA-N 2 0 352.479 -0.092 20 0 FBADRP CCN(C(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1)[C@H]1CC[N@H+](CC)C1 ZINC000827707449 661121450 /nfs/dbraw/zinc/12/14/50/661121450.db2.gz PWPGKWGQDZZLHX-XHSDSOJGSA-N 2 0 352.479 -0.092 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C[C@]2(C)CCS(=O)(=O)N2)C[C@H]1C[NH+](C)C ZINC000827892784 661122533 /nfs/dbraw/zinc/12/25/33/661122533.db2.gz SIWXVBZFMIQZLY-FMKPAKJESA-N 2 0 360.524 -0.344 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C[C@@]2(C)CCS(=O)(=O)N2)C[C@H]1C[NH+](C)C ZINC000827892785 661122669 /nfs/dbraw/zinc/12/26/69/661122669.db2.gz SIWXVBZFMIQZLY-IIAWOOMASA-N 2 0 360.524 -0.344 20 0 FBADRP CCCN(C(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)[C@H]1CC[N@H+](C)C1 ZINC000834691930 661164169 /nfs/dbraw/zinc/16/41/69/661164169.db2.gz WPTJANRDPVRPDN-ARFHVFGLSA-N 2 0 352.479 -0.092 20 0 FBADRP CCCN(C(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)[C@@H]1CC[N@H+](C)C1 ZINC000834691931 661164328 /nfs/dbraw/zinc/16/43/28/661164328.db2.gz WPTJANRDPVRPDN-BZUAXINKSA-N 2 0 352.479 -0.092 20 0 FBADRP CCCN(C(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1)[C@H]1CC[N@H+](C)C1 ZINC000834691932 661164277 /nfs/dbraw/zinc/16/42/77/661164277.db2.gz WPTJANRDPVRPDN-HRCADAONSA-N 2 0 352.479 -0.092 20 0 FBADRP CCCN(C(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1)[C@@H]1CC[N@H+](C)C1 ZINC000834691933 661164506 /nfs/dbraw/zinc/16/45/06/661164506.db2.gz WPTJANRDPVRPDN-OWCLPIDISA-N 2 0 352.479 -0.092 20 0 FBADRP CN(Cc1ncc(Cl)n1C)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000839285618 660554593 /nfs/dbraw/zinc/55/45/93/660554593.db2.gz FOKXUPNRGKBALJ-UHFFFAOYSA-N 2 0 372.901 -0.016 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCCC2(C1)OCCO2 ZINC000839287469 660554736 /nfs/dbraw/zinc/55/47/36/660554736.db2.gz RWWMWYWCFCRRAL-UHFFFAOYSA-N 2 0 356.467 -0.696 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC2(CC1)OCCO2 ZINC000839288495 660554743 /nfs/dbraw/zinc/55/47/43/660554743.db2.gz WPKQFQCMSICPGI-UHFFFAOYSA-N 2 0 356.467 -0.696 20 0 FBADRP COC(=O)[C@H]1CN(C(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)CC[N@H+](C)C1 ZINC000840288765 661016092 /nfs/dbraw/zinc/01/60/92/661016092.db2.gz GATDMGAQFWBECK-ILXRZTDVSA-N 2 0 354.451 -0.404 20 0 FBADRP COC(=O)[C@H]1CN(C(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)CC[N@H+](C)C1 ZINC000840288799 661015990 /nfs/dbraw/zinc/01/59/90/661015990.db2.gz GATDMGAQFWBECK-KFWWJZLASA-N 2 0 354.451 -0.404 20 0 FBADRP COC(=O)[C@H]1CN(C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)CC[N@H+](C)C1 ZINC000840288800 661016055 /nfs/dbraw/zinc/01/60/55/661016055.db2.gz GATDMGAQFWBECK-QLFBSQMISA-N 2 0 354.451 -0.404 20 0 FBADRP COC(=O)[C@H]1CN(C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)CC[N@H+](C)C1 ZINC000840288801 661015876 /nfs/dbraw/zinc/01/58/76/661015876.db2.gz GATDMGAQFWBECK-RBSFLKMASA-N 2 0 354.451 -0.404 20 0 FBADRP [NH3+]CCN(CCO)C(=O)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000842088266 661185030 /nfs/dbraw/zinc/18/50/30/661185030.db2.gz NFHJIHOKIUGGND-UHFFFAOYSA-N 2 0 354.495 -0.073 20 0 FBADRP [NH3+]C[C@H](NC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C1CCCCC1 ZINC000842165145 661186058 /nfs/dbraw/zinc/18/60/58/661186058.db2.gz TZAWEDLCFKNMAV-JYJNAYRXSA-N 2 0 352.479 -0.010 20 0 FBADRP [NH3+]C[C@H](NC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C1CCCCC1 ZINC000842165146 661185990 /nfs/dbraw/zinc/18/59/90/661185990.db2.gz TZAWEDLCFKNMAV-OAGGEKHMSA-N 2 0 352.479 -0.010 20 0 FBADRP [NH3+]C[C@H](NC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C1CCCCC1 ZINC000842165147 661186130 /nfs/dbraw/zinc/18/61/30/661186130.db2.gz TZAWEDLCFKNMAV-PMPSAXMXSA-N 2 0 352.479 -0.010 20 0 FBADRP [NH3+]C[C@H](NC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C1CCCCC1 ZINC000842165148 661186068 /nfs/dbraw/zinc/18/60/68/661186068.db2.gz TZAWEDLCFKNMAV-XHSDSOJGSA-N 2 0 352.479 -0.010 20 0 FBADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C[C@@H]21 ZINC000842165353 661186211 /nfs/dbraw/zinc/18/62/11/661186211.db2.gz VBMZHIOELMYVAW-DGADGQDISA-N 2 0 350.463 -0.448 20 0 FBADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C[C@@H]21 ZINC000842165354 661186161 /nfs/dbraw/zinc/18/61/61/661186161.db2.gz VBMZHIOELMYVAW-DGXTUMSLSA-N 2 0 350.463 -0.448 20 0 FBADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C[C@H]21 ZINC000842165357 661186104 /nfs/dbraw/zinc/18/61/04/661186104.db2.gz VBMZHIOELMYVAW-OXGONZEZSA-N 2 0 350.463 -0.448 20 0 FBADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C[C@H]21 ZINC000842165359 661186220 /nfs/dbraw/zinc/18/62/20/661186220.db2.gz VBMZHIOELMYVAW-YIDVYQOGSA-N 2 0 350.463 -0.448 20 0 FBADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000842165425 661186197 /nfs/dbraw/zinc/18/61/97/661186197.db2.gz XKRLBHLGQIFPOP-IGQOVBAYSA-N 2 0 354.451 -0.805 20 0 FBADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000842165429 661186619 /nfs/dbraw/zinc/18/66/19/661186619.db2.gz XKRLBHLGQIFPOP-REWJHTLYSA-N 2 0 354.451 -0.805 20 0 FBADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000842165431 661186525 /nfs/dbraw/zinc/18/65/25/661186525.db2.gz XKRLBHLGQIFPOP-RFQIPJPRSA-N 2 0 354.451 -0.805 20 0 FBADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000842165432 661186441 /nfs/dbraw/zinc/18/64/41/661186441.db2.gz XKRLBHLGQIFPOP-XDQVBPFNSA-N 2 0 354.451 -0.805 20 0 FBADRP CCOC(=O)N1CCN(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])CC1 ZINC000842480805 661189357 /nfs/dbraw/zinc/18/93/57/661189357.db2.gz DHQGECXYPLSQBF-UHFFFAOYSA-N 2 0 351.473 -0.995 20 0 FBADRP COc1ccc(OC)c([C@@H](O)C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)c1 ZINC000843069910 661196442 /nfs/dbraw/zinc/19/64/42/661196442.db2.gz UCBDIECRBHSZBP-PBHICJAKSA-N 2 0 353.463 -0.065 20 0 FBADRP COc1ccc(OC)c([C@H](O)C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)c1 ZINC000843069911 661196405 /nfs/dbraw/zinc/19/64/05/661196405.db2.gz UCBDIECRBHSZBP-RHSMWYFYSA-N 2 0 353.463 -0.065 20 0 FBADRP COc1ccc(OC)c([C@H](O)C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)c1 ZINC000843069913 661196460 /nfs/dbraw/zinc/19/64/60/661196460.db2.gz UCBDIECRBHSZBP-WMLDXEAASA-N 2 0 353.463 -0.065 20 0 FBADRP COc1ccc(OC)c([C@@H](O)C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)c1 ZINC000843069914 661196453 /nfs/dbraw/zinc/19/64/53/661196453.db2.gz UCBDIECRBHSZBP-YOEHRIQHSA-N 2 0 353.463 -0.065 20 0 FBADRP COc1cc(OC)cc([C@H](O)C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)c1 ZINC000843070688 661196420 /nfs/dbraw/zinc/19/64/20/661196420.db2.gz WXMABJKQAAWLGA-CRAIPNDOSA-N 2 0 353.463 -0.065 20 0 FBADRP COc1cc(OC)cc([C@H](O)C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)c1 ZINC000843070689 661196451 /nfs/dbraw/zinc/19/64/51/661196451.db2.gz WXMABJKQAAWLGA-MAUKXSAKSA-N 2 0 353.463 -0.065 20 0 FBADRP COc1cc(OC)cc([C@@H](O)C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)c1 ZINC000843070690 661196447 /nfs/dbraw/zinc/19/64/47/661196447.db2.gz WXMABJKQAAWLGA-QAPCUYQASA-N 2 0 353.463 -0.065 20 0 FBADRP COc1cc(OC)cc([C@@H](O)C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)c1 ZINC000843070691 661196427 /nfs/dbraw/zinc/19/64/27/661196427.db2.gz WXMABJKQAAWLGA-YJBOKZPZSA-N 2 0 353.463 -0.065 20 0 FBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)CC1 ZINC000843118509 661197409 /nfs/dbraw/zinc/19/74/09/661197409.db2.gz KARAHNKMZTWTDG-RBSFLKMASA-N 2 0 358.483 -0.836 20 0 FBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)CC1 ZINC000843118513 661197444 /nfs/dbraw/zinc/19/74/44/661197444.db2.gz KARAHNKMZTWTDG-RRFJBIMHSA-N 2 0 358.483 -0.836 20 0 FBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCCCCCC[NH3+])CC2)C1 ZINC000843261668 661200146 /nfs/dbraw/zinc/20/01/46/661200146.db2.gz JNNWINUJMSCAFO-INIZCTEOSA-N 2 0 353.511 -0.140 20 0 FBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCCCCCC[NH3+])CC2)C1 ZINC000843261669 661200337 /nfs/dbraw/zinc/20/03/37/661200337.db2.gz JNNWINUJMSCAFO-MRXNPFEDSA-N 2 0 353.511 -0.140 20 0 FBADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NCCCCCC[NH3+])C2)CC1 ZINC000843263512 661200087 /nfs/dbraw/zinc/20/00/87/661200087.db2.gz XODWBQGCOSVKHH-HNNXBMFYSA-N 2 0 353.511 -0.094 20 0 FBADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)NCCCCCC[NH3+])C2)CC1 ZINC000843263513 661200257 /nfs/dbraw/zinc/20/02/57/661200257.db2.gz XODWBQGCOSVKHH-OAHLLOKOSA-N 2 0 353.511 -0.094 20 0 FBADRP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)CO[C@@H]2CCC[NH2+]C2)c1 ZINC000843322096 661200867 /nfs/dbraw/zinc/20/08/67/661200867.db2.gz DHTBOHGSSKJYPO-CYBMUJFWSA-N 2 0 356.448 -0.369 20 0 FBADRP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)CO[C@H]2CCC[NH2+]C2)c1 ZINC000843322107 661200953 /nfs/dbraw/zinc/20/09/53/661200953.db2.gz DHTBOHGSSKJYPO-ZDUSSCGKSA-N 2 0 356.448 -0.369 20 0 FBADRP COCCS(=O)(=O)CCC[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000843347104 661201162 /nfs/dbraw/zinc/20/11/62/661201162.db2.gz RGRKBLGKYYOYAM-HNNXBMFYSA-N 2 0 361.508 -0.419 20 0 FBADRP COCCS(=O)(=O)CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000843347110 661201186 /nfs/dbraw/zinc/20/11/86/661201186.db2.gz RGRKBLGKYYOYAM-OAHLLOKOSA-N 2 0 361.508 -0.419 20 0 FBADRP COCCN(C(=O)CN1CCC2(C1)CC[NH2+]CC2)[C@H]1CCS(=O)(=O)C1 ZINC000843363848 661201612 /nfs/dbraw/zinc/20/16/12/661201612.db2.gz FAGKEWDFDALLOF-HNNXBMFYSA-N 2 0 373.519 -0.276 20 0 FBADRP COCCN(C(=O)CN1CCC2(C1)CC[NH2+]CC2)[C@@H]1CCS(=O)(=O)C1 ZINC000843363849 661201638 /nfs/dbraw/zinc/20/16/38/661201638.db2.gz FAGKEWDFDALLOF-OAHLLOKOSA-N 2 0 373.519 -0.276 20 0 FBADRP O=C(CO[C@@H]1CCC[NH2+]C1)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000843453333 661202739 /nfs/dbraw/zinc/20/27/39/661202739.db2.gz KTJNLIVNBCKVFE-ARFHVFGLSA-N 2 0 352.479 -0.138 20 0 FBADRP O=C(CO[C@H]1CCC[NH2+]C1)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000843453334 661202732 /nfs/dbraw/zinc/20/27/32/661202732.db2.gz KTJNLIVNBCKVFE-HRCADAONSA-N 2 0 352.479 -0.138 20 0 FBADRP O=C(CO[C@H]1CCC[NH2+]C1)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000843453335 661202656 /nfs/dbraw/zinc/20/26/56/661202656.db2.gz KTJNLIVNBCKVFE-JYJNAYRXSA-N 2 0 352.479 -0.138 20 0 FBADRP O=C(CO[C@@H]1CCC[NH2+]C1)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000843453336 661202709 /nfs/dbraw/zinc/20/27/09/661202709.db2.gz KTJNLIVNBCKVFE-XHSDSOJGSA-N 2 0 352.479 -0.138 20 0 FBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CO[C@H]2CCC[NH2+]C2)cn1 ZINC000844185530 661211743 /nfs/dbraw/zinc/21/17/43/661211743.db2.gz KXYQMVDJCKHWNB-AWEZNQCLSA-N 2 0 352.439 -0.732 20 0 FBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CO[C@@H]2CCC[NH2+]C2)cn1 ZINC000844185531 661211866 /nfs/dbraw/zinc/21/18/66/661211866.db2.gz KXYQMVDJCKHWNB-CQSZACIVSA-N 2 0 352.439 -0.732 20 0 FBADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000846736785 661244245 /nfs/dbraw/zinc/24/42/45/661244245.db2.gz LVXRVTCJLJPIEC-CVEARBPZSA-N 2 0 352.479 -0.090 20 0 FBADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000846736788 661244262 /nfs/dbraw/zinc/24/42/62/661244262.db2.gz LVXRVTCJLJPIEC-HOTGVXAUSA-N 2 0 352.479 -0.090 20 0 FBADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000846736790 661244180 /nfs/dbraw/zinc/24/41/80/661244180.db2.gz LVXRVTCJLJPIEC-HZPDHXFCSA-N 2 0 352.479 -0.090 20 0 FBADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000846736792 661244222 /nfs/dbraw/zinc/24/42/22/661244222.db2.gz LVXRVTCJLJPIEC-JKSUJKDBSA-N 2 0 352.479 -0.090 20 0 FBADRP CC(C)(C)[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000848931789 661267405 /nfs/dbraw/zinc/26/74/05/661267405.db2.gz HZHUXTZZZVHNOL-LSDHHAIUSA-N 2 0 352.479 -0.357 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCN1CCN(S(C)(=O)=O)CC1 ZINC000849066582 661270481 /nfs/dbraw/zinc/27/04/81/661270481.db2.gz GEFZTVCCZSLZLA-AWEZNQCLSA-N 2 0 360.528 -0.838 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCN1CCN(S(C)(=O)=O)CC1 ZINC000849066583 661270800 /nfs/dbraw/zinc/27/08/00/661270800.db2.gz GEFZTVCCZSLZLA-CQSZACIVSA-N 2 0 360.528 -0.838 20 0 FBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=[NH2+])NCCCN2CCOCC2)C1 ZINC000849072904 661270716 /nfs/dbraw/zinc/27/07/16/661270716.db2.gz PWMBOMCQCZZYES-HNNXBMFYSA-N 2 0 354.499 -0.590 20 0 FBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=[NH2+])NCCCN2CCOCC2)C1 ZINC000849072905 661270789 /nfs/dbraw/zinc/27/07/89/661270789.db2.gz PWMBOMCQCZZYES-OAHLLOKOSA-N 2 0 354.499 -0.590 20 0 FBADRP C[N@@H+]1CC[C@@](O)(CNC2=[NH+]C[C@@H]3CN(C(=O)OC(C)(C)C)CCN23)C1 ZINC000849085664 661270783 /nfs/dbraw/zinc/27/07/83/661270783.db2.gz UYOKSDMXUYWGFM-CXAGYDPISA-N 2 0 353.467 -0.067 20 0 FBADRP C[N@@H+]1CC[C@](O)(CNC2=[NH+]C[C@@H]3CN(C(=O)OC(C)(C)C)CCN23)C1 ZINC000849085665 661270707 /nfs/dbraw/zinc/27/07/07/661270707.db2.gz UYOKSDMXUYWGFM-DYVFJYSZSA-N 2 0 353.467 -0.067 20 0 FBADRP C[N@@H+]1CC[C@](O)(CNC2=[NH+]C[C@H]3CN(C(=O)OC(C)(C)C)CCN23)C1 ZINC000849085666 661270768 /nfs/dbraw/zinc/27/07/68/661270768.db2.gz UYOKSDMXUYWGFM-GUYCJALGSA-N 2 0 353.467 -0.067 20 0 FBADRP C[N@@H+]1CC[C@@](O)(CNC2=[NH+]C[C@H]3CN(C(=O)OC(C)(C)C)CCN23)C1 ZINC000849085667 661270818 /nfs/dbraw/zinc/27/08/18/661270818.db2.gz UYOKSDMXUYWGFM-SUMWQHHRSA-N 2 0 353.467 -0.067 20 0 FBADRP O=C(NCC12CC(C1)C[NH2+]2)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000851684551 661298215 /nfs/dbraw/zinc/29/82/15/661298215.db2.gz JAMWDJNSRYOKFC-DBQDNQAGSA-N 2 0 350.463 -0.386 20 0 FBADRP O=C(NCC12CC(C1)C[NH2+]2)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000851684552 661298277 /nfs/dbraw/zinc/29/82/77/661298277.db2.gz JAMWDJNSRYOKFC-NSWWBONSSA-N 2 0 350.463 -0.386 20 0 FBADRP [NH3+]CC12CC(C1)CN2C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000851685063 661298391 /nfs/dbraw/zinc/29/83/91/661298391.db2.gz OYTWJPAGNZAVHH-DBQDNQAGSA-N 2 0 350.463 -0.304 20 0 FBADRP [NH3+]CC12CC(C1)CN2C(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000851685065 661298284 /nfs/dbraw/zinc/29/82/84/661298284.db2.gz OYTWJPAGNZAVHH-NSWWBONSSA-N 2 0 350.463 -0.304 20 0 FBADRP [NH3+][C@@H]1CN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC[C@H]1F ZINC000851685628 661298251 /nfs/dbraw/zinc/29/82/51/661298251.db2.gz URJPQCJGYJYQLF-RBSFLKMASA-N 2 0 356.442 -0.356 20 0 FBADRP [NH3+][C@@H]1CN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC[C@H]1F ZINC000851685629 661298340 /nfs/dbraw/zinc/29/83/40/661298340.db2.gz URJPQCJGYJYQLF-RRFJBIMHSA-N 2 0 356.442 -0.356 20 0 FBADRP C[C@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)[NH+]1CCCCC1 ZINC000851687378 661298660 /nfs/dbraw/zinc/29/86/60/661298660.db2.gz TTZMPUJTNNMQDY-LLVKDONJSA-N 2 0 350.423 -0.752 20 0 FBADRP C[C@@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)[NH+]1CCCCC1 ZINC000851687379 661298620 /nfs/dbraw/zinc/29/86/20/661298620.db2.gz TTZMPUJTNNMQDY-NSHDSACASA-N 2 0 350.423 -0.752 20 0 FBADRP O=C([C@@H]1[NH2+]CC12CCOCC2)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000852825234 661309135 /nfs/dbraw/zinc/30/91/35/661309135.db2.gz IBNYGAGMQQMXQW-CABCVRRESA-N 2 0 350.463 -0.575 20 0 FBADRP O=C([C@@H]1[NH2+]CC12CCOCC2)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000852825235 661309011 /nfs/dbraw/zinc/30/90/11/661309011.db2.gz IBNYGAGMQQMXQW-GJZGRUSLSA-N 2 0 350.463 -0.575 20 0 FBADRP O=C([C@H]1[NH2+]CC12CCOCC2)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000852825236 661308952 /nfs/dbraw/zinc/30/89/52/661308952.db2.gz IBNYGAGMQQMXQW-HUUCEWRRSA-N 2 0 350.463 -0.575 20 0 FBADRP O=C([C@H]1[NH2+]CC12CCOCC2)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000852825237 661309104 /nfs/dbraw/zinc/30/91/04/661309104.db2.gz IBNYGAGMQQMXQW-LSDHHAIUSA-N 2 0 350.463 -0.575 20 0 FBADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C2=NO[C@@H](C[NH3+])C2)CC1 ZINC000852872349 661309629 /nfs/dbraw/zinc/30/96/29/661309629.db2.gz LTZGAWNSNPRZAQ-CYBMUJFWSA-N 2 0 353.467 -0.167 20 0 FBADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C2=NO[C@H](C[NH3+])C2)CC1 ZINC000852872351 661309514 /nfs/dbraw/zinc/30/95/14/661309514.db2.gz LTZGAWNSNPRZAQ-ZDUSSCGKSA-N 2 0 353.467 -0.167 20 0 FBADRP CC[NH+](CC)CCN(C(=O)C1=NO[C@@H](C[NH3+])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000852882484 661309622 /nfs/dbraw/zinc/30/96/22/661309622.db2.gz IPTMKZPXRHMBRJ-CHWSQXEVSA-N 2 0 360.480 -0.553 20 0 FBADRP CC[NH+](CC)CCN(C(=O)C1=NO[C@H](C[NH3+])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000852882485 661309502 /nfs/dbraw/zinc/30/95/02/661309502.db2.gz IPTMKZPXRHMBRJ-OLZOCXBDSA-N 2 0 360.480 -0.553 20 0 FBADRP CC[NH+](CC)CCN(C(=O)C1=NO[C@@H](C[NH3+])C1)[C@H]1CCS(=O)(=O)C1 ZINC000852882486 661309433 /nfs/dbraw/zinc/30/94/33/661309433.db2.gz IPTMKZPXRHMBRJ-QWHCGFSZSA-N 2 0 360.480 -0.553 20 0 FBADRP CC[NH+](CC)CCN(C(=O)C1=NO[C@H](C[NH3+])C1)[C@H]1CCS(=O)(=O)C1 ZINC000852882487 661309591 /nfs/dbraw/zinc/30/95/91/661309591.db2.gz IPTMKZPXRHMBRJ-STQMWFEESA-N 2 0 360.480 -0.553 20 0 FBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)CCO1 ZINC000852920582 661310911 /nfs/dbraw/zinc/31/09/11/661310911.db2.gz DMAYNWAGAMKZCA-CRAIPNDOSA-N 2 0 352.479 -0.090 20 0 FBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)CCO1 ZINC000852920585 661310943 /nfs/dbraw/zinc/31/09/43/661310943.db2.gz DMAYNWAGAMKZCA-MAUKXSAKSA-N 2 0 352.479 -0.090 20 0 FBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)CCO1 ZINC000852920587 661310852 /nfs/dbraw/zinc/31/08/52/661310852.db2.gz DMAYNWAGAMKZCA-QAPCUYQASA-N 2 0 352.479 -0.090 20 0 FBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)CCO1 ZINC000852920589 661310843 /nfs/dbraw/zinc/31/08/43/661310843.db2.gz DMAYNWAGAMKZCA-YJBOKZPZSA-N 2 0 352.479 -0.090 20 0 FBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000853683635 661317376 /nfs/dbraw/zinc/31/73/76/661317376.db2.gz VKWOTYZFXMKMRY-CABCVRRESA-N 2 0 355.483 -0.489 20 0 FBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000853683636 661317778 /nfs/dbraw/zinc/31/77/78/661317778.db2.gz VKWOTYZFXMKMRY-GJZGRUSLSA-N 2 0 355.483 -0.489 20 0 FBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000853683637 661317645 /nfs/dbraw/zinc/31/76/45/661317645.db2.gz VKWOTYZFXMKMRY-HUUCEWRRSA-N 2 0 355.483 -0.489 20 0 FBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000853683638 661317724 /nfs/dbraw/zinc/31/77/24/661317724.db2.gz VKWOTYZFXMKMRY-LSDHHAIUSA-N 2 0 355.483 -0.489 20 0 FBADRP C[NH+](C)CCONC(=O)c1cccc(C(=O)NOCC[NH+](C)C)c1N ZINC000854689902 661328757 /nfs/dbraw/zinc/32/87/57/661328757.db2.gz LBWQSKGWTWWDBP-UHFFFAOYSA-N 2 0 353.423 -0.285 20 0 FBADRP Cc1nc(NCC[NH+]2CC[C@@H](O)C2)nc(NCC[N@@H+]2CC[C@@H](O)C2)n1 ZINC000858812499 661369059 /nfs/dbraw/zinc/36/90/59/661369059.db2.gz PZJFSKFTSSMDTF-ZIAGYGMSSA-N 2 0 351.455 -0.863 20 0 FBADRP Cc1nc(NCC[NH+]2CC[C@H](O)C2)nc(NCC[N@@H+]2CC[C@H](O)C2)n1 ZINC000858867578 661369715 /nfs/dbraw/zinc/36/97/15/661369715.db2.gz PZJFSKFTSSMDTF-KBPBESRZSA-N 2 0 351.455 -0.863 20 0 FBADRP C[Si](C)(CC[NH+]1CCN(CCO)CC1)CC[NH+]1CCN(CCO)CC1 ZINC000859064306 661371342 /nfs/dbraw/zinc/37/13/42/661371342.db2.gz YJLZSSJZUZFBSO-UHFFFAOYSA-N 2 0 372.630 -0.085 20 0 FBADRP C[Si](C)(CC[NH+]1CCO[C@H](C(N)=O)C1)CC[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000859105847 661371914 /nfs/dbraw/zinc/37/19/14/661371914.db2.gz FDFRSEYPOYVHMT-KBPBESRZSA-N 2 0 372.542 -0.933 20 0 FBADRP C[Si](C)(CC[NH+]1CCO[C@H](C(N)=O)C1)CC[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000859105848 661371969 /nfs/dbraw/zinc/37/19/69/661371969.db2.gz FDFRSEYPOYVHMT-OKILXGFUSA-N 2 0 372.542 -0.933 20 0 FBADRP C[Si](C)(CC[NH+]1CCO[C@@H](C(N)=O)C1)CC[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000859105849 661371789 /nfs/dbraw/zinc/37/17/89/661371789.db2.gz FDFRSEYPOYVHMT-ZIAGYGMSSA-N 2 0 372.542 -0.933 20 0 FBADRP C[NH+](C)CCn1cc(NC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)cn1 ZINC000860714138 661388056 /nfs/dbraw/zinc/38/80/56/661388056.db2.gz URZHLCNYFPGKMN-AWEZNQCLSA-N 2 0 351.455 -0.094 20 0 FBADRP O=C(NC[C@H]1CCC[NH2+]C1)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000861638580 661395554 /nfs/dbraw/zinc/39/55/54/661395554.db2.gz DNJHGBUKYNNLQD-CFVMTHIKSA-N 2 0 351.451 -0.047 20 0 FBADRP O=C(NC[C@@H]1CCC[NH2+]C1)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000861638582 661395685 /nfs/dbraw/zinc/39/56/85/661395685.db2.gz DNJHGBUKYNNLQD-YUELXQCFSA-N 2 0 351.451 -0.047 20 0 FBADRP O=C(NCC1CC[NH2+]CC1)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000861639191 661395540 /nfs/dbraw/zinc/39/55/40/661395540.db2.gz JBLDATKJDADITE-CABCVRRESA-N 2 0 351.451 -0.047 20 0 FBADRP COCC[NH2+]CCNC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000861642431 661395638 /nfs/dbraw/zinc/39/56/38/661395638.db2.gz XQXJCFGPSJRRIK-KGLIPLIRSA-N 2 0 355.439 -0.811 20 0 FBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000861642760 661395659 /nfs/dbraw/zinc/39/56/59/661395659.db2.gz HLFWEBGOTKVPPP-BEAPCOKYSA-N 2 0 351.451 -0.049 20 0 FBADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000861642761 661395608 /nfs/dbraw/zinc/39/56/08/661395608.db2.gz HLFWEBGOTKVPPP-MHEUCROKSA-N 2 0 351.451 -0.049 20 0 FBADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000861642762 661395590 /nfs/dbraw/zinc/39/55/90/661395590.db2.gz HLFWEBGOTKVPPP-MYPMTAMASA-N 2 0 351.451 -0.049 20 0 FBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000861642763 661395614 /nfs/dbraw/zinc/39/56/14/661395614.db2.gz HLFWEBGOTKVPPP-NGFQHRJXSA-N 2 0 351.451 -0.049 20 0 FBADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000861642994 661395835 /nfs/dbraw/zinc/39/58/35/661395835.db2.gz MJTAVCMJDXOCFR-BEAPCOKYSA-N 2 0 351.451 -0.049 20 0 FBADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000861642995 661395881 /nfs/dbraw/zinc/39/58/81/661395881.db2.gz MJTAVCMJDXOCFR-MHEUCROKSA-N 2 0 351.451 -0.049 20 0 FBADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000861642996 661395861 /nfs/dbraw/zinc/39/58/61/661395861.db2.gz MJTAVCMJDXOCFR-MYPMTAMASA-N 2 0 351.451 -0.049 20 0 FBADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000861642997 661395801 /nfs/dbraw/zinc/39/58/01/661395801.db2.gz MJTAVCMJDXOCFR-NGFQHRJXSA-N 2 0 351.451 -0.049 20 0 FBADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)NC[C@H]1C[N@@H+]3CCC[C@H]3CO1)C2 ZINC000861756191 661398812 /nfs/dbraw/zinc/39/88/12/661398812.db2.gz UWLTZQWEDATFLL-DFEHZGFQSA-N 2 0 350.463 -0.576 20 0 FBADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)NC[C@@H]1C[N@@H+]3CCC[C@@H]3CO1)C2 ZINC000861756192 661398775 /nfs/dbraw/zinc/39/87/75/661398775.db2.gz UWLTZQWEDATFLL-DTDBQYNISA-N 2 0 350.463 -0.576 20 0 FBADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)NC[C@@H]1C[N@@H+]3CCC[C@H]3CO1)C2 ZINC000861756193 661398743 /nfs/dbraw/zinc/39/87/43/661398743.db2.gz UWLTZQWEDATFLL-IHETXDGRSA-N 2 0 350.463 -0.576 20 0 FBADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)NC[C@H]1C[N@@H+]3CCC[C@@H]3CO1)C2 ZINC000861756194 661398735 /nfs/dbraw/zinc/39/87/35/661398735.db2.gz UWLTZQWEDATFLL-NONVJHHQSA-N 2 0 350.463 -0.576 20 0 FBADRP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)CSCC(=O)N3C[C@H]4[C@@H](C3)[C@@H]4[NH+](C)C)C[C@H]21 ZINC000861910288 661401440 /nfs/dbraw/zinc/40/14/40/661401440.db2.gz IPPKRZXANXFXSS-ZLRGHILGSA-N 2 0 366.531 -0.244 20 0 FBADRP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)COCC(=O)N3C[C@H]4[C@@H](C3)[C@@H]4[NH+](C)C)C[C@H]21 ZINC000861910652 661401480 /nfs/dbraw/zinc/40/14/80/661401480.db2.gz RTULBCACKNGQAI-ZLRGHILGSA-N 2 0 350.463 -0.960 20 0 FBADRP CN(C)S(=O)(=O)CCC[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863549167 661423239 /nfs/dbraw/zinc/42/32/39/661423239.db2.gz BFOIOIJTUPVOQD-KGLIPLIRSA-N 2 0 360.480 -0.475 20 0 FBADRP CCS(=O)(=O)NCCC[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863549293 661423235 /nfs/dbraw/zinc/42/32/35/661423235.db2.gz HKXNFNNWKYXRCI-KGLIPLIRSA-N 2 0 360.480 -0.427 20 0 FBADRP O=C(CC[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1)N1CC[NH2+]CC1 ZINC000863549325 661423221 /nfs/dbraw/zinc/42/32/21/661423221.db2.gz IIZHJLIHFZLWRX-CABCVRRESA-N 3 0 351.451 -0.935 20 0 FBADRP O=C(CC[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1)N1CCOCC1 ZINC000863550435 661423405 /nfs/dbraw/zinc/42/34/05/661423405.db2.gz WLALHOLWBZAGEN-CABCVRRESA-N 2 0 352.435 -0.508 20 0 FBADRP C[N@H+](CCOCC[NH3+])CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000863555352 661424086 /nfs/dbraw/zinc/42/40/86/661424086.db2.gz QRXGJGISWYFNJA-UHFFFAOYSA-N 2 0 355.439 -0.431 20 0 FBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000863754097 661426457 /nfs/dbraw/zinc/42/64/57/661426457.db2.gz NRYPTWSEKYANPD-ARFHVFGLSA-N 2 0 353.511 -0.191 20 0 FBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000863754098 661426406 /nfs/dbraw/zinc/42/64/06/661426406.db2.gz NRYPTWSEKYANPD-HRCADAONSA-N 2 0 353.511 -0.191 20 0 FBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000863754099 661426500 /nfs/dbraw/zinc/42/65/00/661426500.db2.gz NRYPTWSEKYANPD-JYJNAYRXSA-N 2 0 353.511 -0.191 20 0 FBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000863754100 661426477 /nfs/dbraw/zinc/42/64/77/661426477.db2.gz NRYPTWSEKYANPD-OAGGEKHMSA-N 2 0 353.511 -0.191 20 0 FBADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N(C)C[C@H](C)[NH3+])CC2)CC1 ZINC000863765194 661427043 /nfs/dbraw/zinc/42/70/43/661427043.db2.gz DJPWIJZEJNUPHQ-HNNXBMFYSA-N 2 0 353.511 -0.191 20 0 FBADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N(C)C[C@@H](C)[NH3+])CC2)CC1 ZINC000863765196 661426891 /nfs/dbraw/zinc/42/68/91/661426891.db2.gz DJPWIJZEJNUPHQ-OAHLLOKOSA-N 2 0 353.511 -0.191 20 0 FBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000863765600 661426927 /nfs/dbraw/zinc/42/69/27/661426927.db2.gz DZBVJEJCTPUCRL-JZWPEALZSA-N 2 0 351.495 -0.439 20 0 FBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000863765603 661426878 /nfs/dbraw/zinc/42/68/78/661426878.db2.gz DZBVJEJCTPUCRL-LSVZVQIISA-N 2 0 351.495 -0.439 20 0 FBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000863766679 661426871 /nfs/dbraw/zinc/42/68/71/661426871.db2.gz YKKRGRMAZXULKO-HNNXBMFYSA-N 2 0 353.511 -0.332 20 0 FBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000863766680 661426951 /nfs/dbraw/zinc/42/69/51/661426951.db2.gz YKKRGRMAZXULKO-OAHLLOKOSA-N 2 0 353.511 -0.332 20 0 FBADRP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)CC1 ZINC000863769813 661427318 /nfs/dbraw/zinc/42/73/18/661427318.db2.gz CKQWAKAAYMARBU-HNNXBMFYSA-N 2 0 352.479 -0.103 20 0 FBADRP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CCC[C@H](C[NH3+])C2)CC1 ZINC000863769814 661427296 /nfs/dbraw/zinc/42/72/96/661427296.db2.gz CKQWAKAAYMARBU-OAHLLOKOSA-N 2 0 352.479 -0.103 20 0 FBADRP COCC[NH+](CCOC)C1CCN(C(=O)C(=O)N(C)C[C@H](C)[NH3+])CC1 ZINC000863773602 661427393 /nfs/dbraw/zinc/42/73/93/661427393.db2.gz DIMNWOGZWHLLJY-AWEZNQCLSA-N 2 0 358.483 -0.622 20 0 FBADRP COCC[NH+](CCOC)C1CCN(C(=O)C(=O)N(C)C[C@@H](C)[NH3+])CC1 ZINC000863773603 661427308 /nfs/dbraw/zinc/42/73/08/661427308.db2.gz DIMNWOGZWHLLJY-CQSZACIVSA-N 2 0 358.483 -0.622 20 0 FBADRP C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCN1CC[NH+](C)CC1 ZINC000864658466 661433972 /nfs/dbraw/zinc/43/39/72/661433972.db2.gz FLISISLRJHXPPJ-AWEZNQCLSA-N 2 0 357.499 -0.195 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cc(N2CCOCC2)ncn1 ZINC000865177278 661437375 /nfs/dbraw/zinc/43/73/75/661437375.db2.gz CTRAZYOGCFXOPA-UHFFFAOYSA-N 2 0 350.467 -0.121 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=S)NCCNS(C)(=O)=O)C[C@H]1C[NH+](C)C ZINC000865245751 661437904 /nfs/dbraw/zinc/43/79/04/661437904.db2.gz ORHDVWMIDONCRL-CHWSQXEVSA-N 2 0 365.569 -0.919 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=S)NCCN2CCOCC2)C[C@H]1C[NH+](C)C ZINC000865245826 661437944 /nfs/dbraw/zinc/43/79/44/661437944.db2.gz QZSUETXVARHZJB-HZPDHXFCSA-N 2 0 357.568 -0.136 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C ZINC000865706220 661439976 /nfs/dbraw/zinc/43/99/76/661439976.db2.gz PQAFKJQNYUQKNB-KBPBESRZSA-N 2 0 357.499 -0.197 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C ZINC000865706221 661440075 /nfs/dbraw/zinc/44/00/75/661440075.db2.gz PQAFKJQNYUQKNB-KGLIPLIRSA-N 2 0 357.499 -0.197 20 0 FBADRP C[NH+]1C[C@H]2CCN(C(=O)C(F)(F)C(=O)N3CC[C@H]4C[N@@H+](C)C[C@@H]43)[C@H]2C1 ZINC000866000768 661441760 /nfs/dbraw/zinc/44/17/60/661441760.db2.gz OLTUXAJOPRUUQP-CRWXNKLISA-N 2 0 356.417 -0.053 20 0 FBADRP C[NH+]1C[C@H]2CCN(C(=O)C(F)(F)C(=O)N3CC[C@H]4C[N@@H+](C)C[C@@H]43)[C@@H]2C1 ZINC000866000769 661441876 /nfs/dbraw/zinc/44/18/76/661441876.db2.gz OLTUXAJOPRUUQP-KPWCQOOUSA-N 2 0 356.417 -0.053 20 0 FBADRP C[NH+]1C[C@@H]2CCN(C(=O)C(F)(F)C(=O)N3CC[C@@H]4C[N@@H+](C)C[C@@H]43)[C@@H]2C1 ZINC000866000770 661441899 /nfs/dbraw/zinc/44/18/99/661441899.db2.gz OLTUXAJOPRUUQP-LVEBTZEWSA-N 2 0 356.417 -0.053 20 0 FBADRP C[NH+]1C[C@H]2CCN(C(=O)C(F)(F)C(=O)N3CC[C@H]4C[N@@H+](C)C[C@H]43)[C@@H]2C1 ZINC000866000771 661441743 /nfs/dbraw/zinc/44/17/43/661441743.db2.gz OLTUXAJOPRUUQP-XJFOESAGSA-N 2 0 356.417 -0.053 20 0 FBADRP C[NH+]1CC[C@H]2CN(C(=O)C(F)(F)C(=O)N3C[C@H]4CC[N@@H+](C)[C@H]4C3)C[C@H]21 ZINC000866005343 661441838 /nfs/dbraw/zinc/44/18/38/661441838.db2.gz OINPFCDRGKFQJF-LVEBTZEWSA-N 2 0 356.417 -0.053 20 0 FBADRP C[NH+]1CCN(CCCS(=O)(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000866676061 661446064 /nfs/dbraw/zinc/44/60/64/661446064.db2.gz USBBTBWNUNCFKF-CVEARBPZSA-N 2 0 360.524 -0.594 20 0 FBADRP C[NH+]1CCN(CCCS(=O)(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000866676062 661445920 /nfs/dbraw/zinc/44/59/20/661445920.db2.gz USBBTBWNUNCFKF-HOTGVXAUSA-N 2 0 360.524 -0.594 20 0 FBADRP C[NH+]1CCN(CCCS(=O)(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000866676063 661446179 /nfs/dbraw/zinc/44/61/79/661446179.db2.gz USBBTBWNUNCFKF-HZPDHXFCSA-N 2 0 360.524 -0.594 20 0 FBADRP C[NH+]1CCN(CCCS(=O)(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000866676064 661446567 /nfs/dbraw/zinc/44/65/67/661446567.db2.gz USBBTBWNUNCFKF-JKSUJKDBSA-N 2 0 360.524 -0.594 20 0 FBADRP CN1CCN(C(=O)CC[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC000866711291 661447449 /nfs/dbraw/zinc/44/74/49/661447449.db2.gz HEEXWINACABFAK-KFWWJZLASA-N 2 0 351.451 -0.983 20 0 FBADRP CN1CCN(C(=O)CC[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC000866711292 661447293 /nfs/dbraw/zinc/44/72/93/661447293.db2.gz HEEXWINACABFAK-ZNMIVQPWSA-N 2 0 351.451 -0.983 20 0 FBADRP CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000866714088 661447437 /nfs/dbraw/zinc/44/74/37/661447437.db2.gz FWEVCPUYMNARIF-BARDWOONSA-N 2 0 372.491 -0.475 20 0 FBADRP CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000866714089 661447216 /nfs/dbraw/zinc/44/72/16/661447216.db2.gz FWEVCPUYMNARIF-TUVASFSCSA-N 2 0 372.491 -0.475 20 0 FBADRP CS(=O)(=O)N1CCC[C@@H](C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000866714090 661447143 /nfs/dbraw/zinc/44/71/43/661447143.db2.gz FWEVCPUYMNARIF-XQLPTFJDSA-N 2 0 372.491 -0.475 20 0 FBADRP CS(=O)(=O)N1CCC[C@@H](C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000866714091 661448000 /nfs/dbraw/zinc/44/80/00/661448000.db2.gz FWEVCPUYMNARIF-YJNKXOJESA-N 2 0 372.491 -0.475 20 0 FBADRP C[NH+](C)CCCS(=O)(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000866779228 661451631 /nfs/dbraw/zinc/45/16/31/661451631.db2.gz KEHYTODNVUTAKA-KGLIPLIRSA-N 2 0 360.480 -0.475 20 0 FBADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CCN(S(=O)(=O)CCC[NH+]2CCCC2)C1 ZINC000866816767 661452697 /nfs/dbraw/zinc/45/26/97/661452697.db2.gz NNFXMUJTXZUHHL-QLFBSQMISA-N 2 0 372.491 -0.331 20 0 FBADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CCN(S(=O)(=O)CCC[NH+]2CCCC2)C1 ZINC000866816769 661452733 /nfs/dbraw/zinc/45/27/33/661452733.db2.gz NNFXMUJTXZUHHL-SOUVJXGZSA-N 2 0 372.491 -0.331 20 0 FBADRP COCCC1(NS(=O)(=O)CCCN2CC[NH+](C)CC2)CC[NH2+]CC1 ZINC000866824761 661453270 /nfs/dbraw/zinc/45/32/70/661453270.db2.gz HMELNGQMIJYSBN-UHFFFAOYSA-N 2 0 362.540 -0.298 20 0 FBADRP CN1CCO[C@H](CS(=O)(=O)N(CC[NH+](C)C)C2CC[NH+](C)CC2)C1 ZINC000867123559 661168047 /nfs/dbraw/zinc/16/80/47/661168047.db2.gz BKQDNFFQQSPTSZ-INIZCTEOSA-N 2 0 362.540 -0.395 20 0 FBADRP CN1CCO[C@@H](CS(=O)(=O)N(CC[NH+](C)C)C2CC[NH+](C)CC2)C1 ZINC000867123560 661168088 /nfs/dbraw/zinc/16/80/88/661168088.db2.gz BKQDNFFQQSPTSZ-MRXNPFEDSA-N 2 0 362.540 -0.395 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C[C@H](C)O1 ZINC000867275824 661183338 /nfs/dbraw/zinc/18/33/38/661183338.db2.gz CXVXJDQQFNHNBL-QKPAOTATSA-N 2 0 354.495 -0.180 20 0 FBADRP CCN1CCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC1 ZINC000867276992 661183734 /nfs/dbraw/zinc/18/37/34/661183734.db2.gz YCAOWFZZHGTCMN-HZPDHXFCSA-N 2 0 353.511 -0.652 20 0 FBADRP CCCCN(CCO)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867281214 661184077 /nfs/dbraw/zinc/18/40/77/661184077.db2.gz BQCBQHVGAJKLNX-HZPDHXFCSA-N 2 0 356.511 -0.195 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](CO)C2)C[C@H]1C[NH+](C)C ZINC000867283514 661185161 /nfs/dbraw/zinc/18/51/61/661185161.db2.gz XWMJLZBSTDCLHC-ARFHVFGLSA-N 2 0 354.495 -0.585 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](CO)C2)C[C@H]1C[NH+](C)C ZINC000867283515 661184967 /nfs/dbraw/zinc/18/49/67/661184967.db2.gz XWMJLZBSTDCLHC-BZUAXINKSA-N 2 0 354.495 -0.585 20 0 FBADRP CC[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCO1 ZINC000867323991 661198878 /nfs/dbraw/zinc/19/88/78/661198878.db2.gz XSYBQTBLPAVDCY-BZUAXINKSA-N 2 0 354.495 -0.178 20 0 FBADRP CC[C@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCO1 ZINC000867323992 661198854 /nfs/dbraw/zinc/19/88/54/661198854.db2.gz XSYBQTBLPAVDCY-OAGGEKHMSA-N 2 0 354.495 -0.178 20 0 FBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867324189 661197235 /nfs/dbraw/zinc/19/72/35/661197235.db2.gz UILDSAILMYOSKB-HZPDHXFCSA-N 3 0 355.527 -0.406 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCC(CO)CC2)C[C@H]1C[NH+](C)C ZINC000867325067 661201233 /nfs/dbraw/zinc/20/12/33/661201233.db2.gz ZPTKWQALWNABRO-HZPDHXFCSA-N 2 0 354.495 -0.585 20 0 FBADRP CN(C[C@H]1CCCO1)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867329175 661205105 /nfs/dbraw/zinc/20/51/05/661205105.db2.gz SZENVFKJEVFPOQ-BZUAXINKSA-N 2 0 354.495 -0.178 20 0 FBADRP CN(C[C@@H]1CCCO1)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867329176 661205128 /nfs/dbraw/zinc/20/51/28/661205128.db2.gz SZENVFKJEVFPOQ-OAGGEKHMSA-N 2 0 354.495 -0.178 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)[C@@H](C)CO1 ZINC000867360631 661215018 /nfs/dbraw/zinc/21/50/18/661215018.db2.gz JYAGYSYYCZNGAD-CAOSSQGBSA-N 2 0 354.495 -0.180 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)[C@H](C)CO1 ZINC000867360632 661214966 /nfs/dbraw/zinc/21/49/66/661214966.db2.gz JYAGYSYYCZNGAD-KLHDSHLOSA-N 2 0 354.495 -0.180 20 0 FBADRP C[C@@H]1CO[C@@H](C)CN1C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867360633 661214870 /nfs/dbraw/zinc/21/48/70/661214870.db2.gz JYAGYSYYCZNGAD-QKPAOTATSA-N 2 0 354.495 -0.180 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)[C@@H](C)CO1 ZINC000867360634 661214868 /nfs/dbraw/zinc/21/48/68/661214868.db2.gz JYAGYSYYCZNGAD-ZJIFWQFVSA-N 2 0 354.495 -0.180 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCOC(C)(C)C2)C[C@H]1C[NH+](C)C ZINC000867372172 661217989 /nfs/dbraw/zinc/21/79/89/661217989.db2.gz FYLSVALTGWQIGC-HUUCEWRRSA-N 2 0 354.495 -0.178 20 0 FBADRP CC[C@@H]1COCCN1C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867375520 661218790 /nfs/dbraw/zinc/21/87/90/661218790.db2.gz HQMWBNPZSRCFNI-BZUAXINKSA-N 2 0 354.495 -0.178 20 0 FBADRP CC[C@H]1COCCN1C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867375521 661218687 /nfs/dbraw/zinc/21/86/87/661218687.db2.gz HQMWBNPZSRCFNI-OAGGEKHMSA-N 2 0 354.495 -0.178 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000867438728 661244528 /nfs/dbraw/zinc/24/45/28/661244528.db2.gz UPCGNVYWXYMQNQ-CVEARBPZSA-N 3 0 353.511 -0.509 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000867438729 661244394 /nfs/dbraw/zinc/24/43/94/661244394.db2.gz UPCGNVYWXYMQNQ-HOTGVXAUSA-N 3 0 353.511 -0.509 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000867438930 661244545 /nfs/dbraw/zinc/24/45/45/661244545.db2.gz UPCGNVYWXYMQNQ-HZPDHXFCSA-N 3 0 353.511 -0.509 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000867438931 661244452 /nfs/dbraw/zinc/24/44/52/661244452.db2.gz UPCGNVYWXYMQNQ-JKSUJKDBSA-N 3 0 353.511 -0.509 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCCO1 ZINC000867439267 661244488 /nfs/dbraw/zinc/24/44/88/661244488.db2.gz XYXJDNOVKZXLIX-ARFHVFGLSA-N 2 0 354.495 -0.178 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCCO1 ZINC000867439269 661244409 /nfs/dbraw/zinc/24/44/09/661244409.db2.gz XYXJDNOVKZXLIX-BZUAXINKSA-N 2 0 354.495 -0.178 20 0 FBADRP CN(Cc1cc[nH]n1)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867462686 661454773 /nfs/dbraw/zinc/45/47/73/661454773.db2.gz AMADATZWGZYCIF-ZIAGYGMSSA-N 2 0 350.467 -0.434 20 0 FBADRP COC[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC000867467680 661454419 /nfs/dbraw/zinc/45/44/19/661454419.db2.gz UMQZOWGEJMBMLV-ARFHVFGLSA-N 2 0 354.495 -0.321 20 0 FBADRP COC[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC000867467681 661454683 /nfs/dbraw/zinc/45/46/83/661454683.db2.gz UMQZOWGEJMBMLV-BZUAXINKSA-N 2 0 354.495 -0.321 20 0 FBADRP CN(CC1(CO)CC1)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867467948 661454732 /nfs/dbraw/zinc/45/47/32/661454732.db2.gz YDWFLKSPYGVQCZ-HUUCEWRRSA-N 2 0 354.495 -0.585 20 0 FBADRP CCN(CC(C)(C)O)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867479193 661455186 /nfs/dbraw/zinc/45/51/86/661455186.db2.gz UTPHXCDOCGHFAK-HUUCEWRRSA-N 2 0 356.511 -0.196 20 0 FBADRP C[C@@H]1OCCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)[C@H]1C ZINC000867479400 661455072 /nfs/dbraw/zinc/45/50/72/661455072.db2.gz WESVPWZDWKJQAS-CAOSSQGBSA-N 2 0 354.495 -0.180 20 0 FBADRP C[C@H]1OCCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)[C@@H]1C ZINC000867479402 661455179 /nfs/dbraw/zinc/45/51/79/661455179.db2.gz WESVPWZDWKJQAS-KLHDSHLOSA-N 2 0 354.495 -0.180 20 0 FBADRP C[C@@H]1[C@H](C)OCCN1C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867479404 661455003 /nfs/dbraw/zinc/45/50/03/661455003.db2.gz WESVPWZDWKJQAS-QKPAOTATSA-N 2 0 354.495 -0.180 20 0 FBADRP C[C@H]1OCCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)[C@H]1C ZINC000867479410 661455041 /nfs/dbraw/zinc/45/50/41/661455041.db2.gz WESVPWZDWKJQAS-ZJIFWQFVSA-N 2 0 354.495 -0.180 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@]2(C)CO)C[C@H]1C[NH+](C)C ZINC000867494038 661455696 /nfs/dbraw/zinc/45/56/96/661455696.db2.gz PAJFCTFDSAFJNK-IIDMSEBBSA-N 2 0 354.495 -0.442 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@]2(C)CO)C[C@H]1C[NH+](C)C ZINC000867494039 661455500 /nfs/dbraw/zinc/45/55/00/661455500.db2.gz PAJFCTFDSAFJNK-RKVPGOIHSA-N 2 0 354.495 -0.442 20 0 FBADRP C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)[C@H]1CO ZINC000867494279 661455675 /nfs/dbraw/zinc/45/56/75/661455675.db2.gz AGOVHVPPTHUIPU-FPCVCCKLSA-N 2 0 354.495 -0.587 20 0 FBADRP C[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)[C@H]1CO ZINC000867494280 661455823 /nfs/dbraw/zinc/45/58/23/661455823.db2.gz AGOVHVPPTHUIPU-JJXSEGSLSA-N 2 0 354.495 -0.587 20 0 FBADRP C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)[C@@H]1CO ZINC000867494281 661455536 /nfs/dbraw/zinc/45/55/36/661455536.db2.gz AGOVHVPPTHUIPU-KLHDSHLOSA-N 2 0 354.495 -0.587 20 0 FBADRP C[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)[C@@H]1CO ZINC000867494282 661455381 /nfs/dbraw/zinc/45/53/81/661455381.db2.gz AGOVHVPPTHUIPU-ZJIFWQFVSA-N 2 0 354.495 -0.587 20 0 FBADRP C[C@H]1COCCCN1C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867500417 661456160 /nfs/dbraw/zinc/45/61/60/661456160.db2.gz XWBOSTCPYQFNGX-ARFHVFGLSA-N 2 0 354.495 -0.178 20 0 FBADRP C[C@@H]1COCCCN1C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867500418 661456240 /nfs/dbraw/zinc/45/62/40/661456240.db2.gz XWBOSTCPYQFNGX-BZUAXINKSA-N 2 0 354.495 -0.178 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@](C)(O)C2)C[C@H]1C[NH+](C)C ZINC000867510224 661455951 /nfs/dbraw/zinc/45/59/51/661455951.db2.gz HSFHDCMCXWIFNS-IIDMSEBBSA-N 2 0 354.495 -0.442 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@](C)(O)C2)C[C@H]1C[NH+](C)C ZINC000867510225 661456214 /nfs/dbraw/zinc/45/62/14/661456214.db2.gz HSFHDCMCXWIFNS-RKVPGOIHSA-N 2 0 354.495 -0.442 20 0 FBADRP CN(C[C@@H](O)C1CC1)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867556077 661457759 /nfs/dbraw/zinc/45/77/59/661457759.db2.gz WLMBQVSDJQQNOJ-BZUAXINKSA-N 2 0 354.495 -0.587 20 0 FBADRP CN(C[C@H](O)C1CC1)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867556078 661457491 /nfs/dbraw/zinc/45/74/91/661457491.db2.gz WLMBQVSDJQQNOJ-OAGGEKHMSA-N 2 0 354.495 -0.587 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N(CCO)CC(F)F)C[C@H]1C[NH+](C)C ZINC000867559721 661457753 /nfs/dbraw/zinc/45/77/53/661457753.db2.gz CHDFAJOTFQQKNC-CHWSQXEVSA-N 2 0 364.437 -0.730 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N(CCO)C2CCC2)C[C@H]1C[NH+](C)C ZINC000867566341 661458184 /nfs/dbraw/zinc/45/81/84/661458184.db2.gz MZCULJPUPXOETJ-HUUCEWRRSA-N 2 0 354.495 -0.442 20 0 FBADRP COC(=O)CCN(C)S(=O)(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867588899 661458871 /nfs/dbraw/zinc/45/88/71/661458871.db2.gz IGJXMCPGMGNTNU-ZIAGYGMSSA-N 2 0 364.512 -0.603 20 0 FBADRP CCN1C[C@@H](S(=O)(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC1=O ZINC000867589064 661458809 /nfs/dbraw/zinc/45/88/09/661458809.db2.gz FAYMZLUOLIYPAE-KFWWJZLASA-N 2 0 360.524 -0.392 20 0 FBADRP CCN1C[C@H](S(=O)(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC1=O ZINC000867589065 661458992 /nfs/dbraw/zinc/45/89/92/661458992.db2.gz FAYMZLUOLIYPAE-RBSFLKMASA-N 2 0 360.524 -0.392 20 0 FBADRP CN1CCO[C@@H](CS(=O)(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC000867589427 661458840 /nfs/dbraw/zinc/45/88/40/661458840.db2.gz HBBVKJQNDOKXOD-BZUAXINKSA-N 2 0 362.540 -0.682 20 0 FBADRP CN1CCO[C@H](CS(=O)(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC000867589428 661458976 /nfs/dbraw/zinc/45/89/76/661458976.db2.gz HBBVKJQNDOKXOD-OAGGEKHMSA-N 2 0 362.540 -0.682 20 0 FBADRP COCCOCCS(=O)(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867589440 661458777 /nfs/dbraw/zinc/45/87/77/661458777.db2.gz HHWGGRGQXBXKQJ-HUUCEWRRSA-N 2 0 351.513 -0.350 20 0 FBADRP COC(=O)c1cc(S(=O)(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)on1 ZINC000867589444 661458941 /nfs/dbraw/zinc/45/89/41/661458941.db2.gz HPTINIDYPQAZDF-VXGBXAGGSA-N 2 0 374.463 -0.179 20 0 FBADRP C[NH+](C)C[C@@H]1CN(S(=O)(=O)CCCS(C)(=O)=O)C[C@H]1C[NH+](C)C ZINC000867589928 661458794 /nfs/dbraw/zinc/45/87/94/661458794.db2.gz STYKLBPFBVBDDH-ZIAGYGMSSA-N 2 0 369.553 -0.578 20 0 FBADRP Cn1cc(S(=O)(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1C(N)=O ZINC000867590414 661458935 /nfs/dbraw/zinc/45/89/35/661458935.db2.gz ZROLEQYOCKITIS-CHWSQXEVSA-N 2 0 371.507 -0.516 20 0 FBADRP COCn1nccc1S(=O)(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867590668 661459005 /nfs/dbraw/zinc/45/90/05/661459005.db2.gz QYZASBPEZDIRHC-ZIAGYGMSSA-N 2 0 359.496 -0.153 20 0 FBADRP C[NH+](C)C[C@@H]1CN(S(=O)(=O)[C@H]2CC(=O)N(C3CC3)C2)C[C@H]1C[NH+](C)C ZINC000867590715 661459032 /nfs/dbraw/zinc/45/90/32/661459032.db2.gz SMNVPVMBWPOOTH-FMKPAKJESA-N 2 0 372.535 -0.249 20 0 FBADRP C[NH+](C)C[C@@H]1CN(S(=O)(=O)[C@@H]2CC(=O)N(C3CC3)C2)C[C@H]1C[NH+](C)C ZINC000867590716 661459053 /nfs/dbraw/zinc/45/90/53/661459053.db2.gz SMNVPVMBWPOOTH-IIAWOOMASA-N 2 0 372.535 -0.249 20 0 FBADRP COCCn1cc(S(=O)(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cn1 ZINC000867590725 661458856 /nfs/dbraw/zinc/45/88/56/661458856.db2.gz STWRYBJZTCKOST-HUUCEWRRSA-N 2 0 373.523 -0.111 20 0 FBADRP COC(=O)C1(CS(=O)(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC1 ZINC000867591041 661459052 /nfs/dbraw/zinc/45/90/52/661459052.db2.gz XYFOOMXVFLJCAV-ZIAGYGMSSA-N 2 0 361.508 -0.059 20 0 FBADRP CN(C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000867591201 661458917 /nfs/dbraw/zinc/45/89/17/661458917.db2.gz YSCNGPVYOPSLMB-KFWWJZLASA-N 2 0 360.524 -0.104 20 0 FBADRP CN(C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000867591203 661459024 /nfs/dbraw/zinc/45/90/24/661459024.db2.gz YSCNGPVYOPSLMB-RBSFLKMASA-N 2 0 360.524 -0.104 20 0 FBADRP C[C@@H](O)CN(C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)C1CC1 ZINC000867626999 661460053 /nfs/dbraw/zinc/46/00/53/661460053.db2.gz ALPBBRNZPOTZPK-RBSFLKMASA-N 2 0 354.495 -0.444 20 0 FBADRP C[C@H](O)CN(C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)C1CC1 ZINC000867627000 661459983 /nfs/dbraw/zinc/45/99/83/661459983.db2.gz ALPBBRNZPOTZPK-RRFJBIMHSA-N 2 0 354.495 -0.444 20 0 FBADRP C[C@@H](O)[C@H]1CCCN1C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867631937 661460130 /nfs/dbraw/zinc/46/01/30/661460130.db2.gz UAFYFNWUSFGNPQ-KLHDSHLOSA-N 2 0 354.495 -0.444 20 0 FBADRP C[C@H](O)[C@H]1CCCN1C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867631938 661460045 /nfs/dbraw/zinc/46/00/45/661460045.db2.gz UAFYFNWUSFGNPQ-ZJIFWQFVSA-N 2 0 354.495 -0.444 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCC3(COC3)C2)C[C@H]1C[NH+](C)C ZINC000867637522 661460218 /nfs/dbraw/zinc/46/02/18/661460218.db2.gz ZJFNRMDQMDQPDI-HUUCEWRRSA-N 2 0 352.479 -0.567 20 0 FBADRP COC[C@H]1CCCN1C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867649781 661460417 /nfs/dbraw/zinc/46/04/17/661460417.db2.gz HTORFTQAFSIMTM-BZUAXINKSA-N 2 0 354.495 -0.178 20 0 FBADRP COC[C@@H]1CCCN1C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867649782 661460473 /nfs/dbraw/zinc/46/04/73/661460473.db2.gz HTORFTQAFSIMTM-OAGGEKHMSA-N 2 0 354.495 -0.178 20 0 FBADRP CN(CC(C)(C)CO)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867675296 661460985 /nfs/dbraw/zinc/46/09/85/661460985.db2.gz AHNVDAKCHHABLG-HUUCEWRRSA-N 2 0 356.511 -0.339 20 0 FBADRP COCC1(CNC(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC1 ZINC000867675335 661461109 /nfs/dbraw/zinc/46/11/09/661461109.db2.gz BTKNIGZGXUIMNO-HUUCEWRRSA-N 2 0 354.495 -0.273 20 0 FBADRP C[C@@H](NC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)c1csnn1 ZINC000867675484 661460966 /nfs/dbraw/zinc/46/09/66/661460966.db2.gz HASUOXHXUUFJAD-JHJVBQTASA-N 2 0 368.507 -0.087 20 0 FBADRP C[C@H](NC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)c1csnn1 ZINC000867675485 661461097 /nfs/dbraw/zinc/46/10/97/661461097.db2.gz HASUOXHXUUFJAD-YNEHKIRRSA-N 2 0 368.507 -0.087 20 0 FBADRP CN(CC1(O)CCC1)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867675517 661460988 /nfs/dbraw/zinc/46/09/88/661460988.db2.gz IISOHIGGLMIZAX-HUUCEWRRSA-N 2 0 354.495 -0.442 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2C[NH3+])C[C@H]1C[NH+](C)C ZINC000868384625 661471010 /nfs/dbraw/zinc/47/10/10/661471010.db2.gz FDJRNDYMGRJWAU-BZUAXINKSA-N 3 0 353.511 -0.476 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@H]2C[NH3+])C[C@H]1C[NH+](C)C ZINC000868384633 661471048 /nfs/dbraw/zinc/47/10/48/661471048.db2.gz FDJRNDYMGRJWAU-OAGGEKHMSA-N 3 0 353.511 -0.476 20 0 FBADRP CN1CCN(C(=O)C(=O)N2CCC3(CC2)CC[NH+](C)CC3)[C@@H](C[NH3+])C1 ZINC000868384705 661471108 /nfs/dbraw/zinc/47/11/08/661471108.db2.gz GJESRDLZQKHBLS-HNNXBMFYSA-N 2 0 351.495 -0.578 20 0 FBADRP CN1CCN(C(=O)C(=O)N2CCC3(CC2)CC[NH+](C)CC3)[C@H](C[NH3+])C1 ZINC000868384706 661471055 /nfs/dbraw/zinc/47/10/55/661471055.db2.gz GJESRDLZQKHBLS-OAHLLOKOSA-N 2 0 351.495 -0.578 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)C[C@H]1C[NH+](C)C ZINC000868384908 661470971 /nfs/dbraw/zinc/47/09/71/661470971.db2.gz IEYKAXQBGSWOCT-ARFHVFGLSA-N 3 0 353.511 -0.619 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C[NH3+])C2)C[C@H]1C[NH+](C)C ZINC000868384909 661471019 /nfs/dbraw/zinc/47/10/19/661471019.db2.gz IEYKAXQBGSWOCT-BZUAXINKSA-N 3 0 353.511 -0.619 20 0 FBADRP CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000868385355 661471042 /nfs/dbraw/zinc/47/10/42/661471042.db2.gz PSOYNEJIFTYQKG-HUUCEWRRSA-N 3 0 355.527 -0.373 20 0 FBADRP CN1CC[NH+](C2CCN(C(=O)C(=O)N3CCCC[C@H]3C[NH3+])CC2)CC1 ZINC000868385488 661471037 /nfs/dbraw/zinc/47/10/37/661471037.db2.gz SFQMZTHJLWCNKR-INIZCTEOSA-N 2 0 351.495 -0.435 20 0 FBADRP CN1CC[NH+](C2CCN(C(=O)C(=O)N3CCCC[C@@H]3C[NH3+])CC2)CC1 ZINC000868385489 661470962 /nfs/dbraw/zinc/47/09/62/661470962.db2.gz SFQMZTHJLWCNKR-MRXNPFEDSA-N 2 0 351.495 -0.435 20 0 FBADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000868385575 661471068 /nfs/dbraw/zinc/47/10/68/661471068.db2.gz VCHOCZVKLWUFBE-BZUAXINKSA-N 3 0 353.511 -0.605 20 0 FBADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000868385576 661471126 /nfs/dbraw/zinc/47/11/26/661471126.db2.gz VCHOCZVKLWUFBE-OAGGEKHMSA-N 3 0 353.511 -0.605 20 0 FBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC(OCCC[NH3+])CC3)CC[C@H]21 ZINC000868385604 661471001 /nfs/dbraw/zinc/47/10/01/661471001.db2.gz VOAUSKLDAIVJDD-GDBMZVCRSA-N 2 0 352.479 -0.105 20 0 FBADRP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)N3CCC(OCCC[NH3+])CC3)CC[C@H]21 ZINC000868385605 661471080 /nfs/dbraw/zinc/47/10/80/661471080.db2.gz VOAUSKLDAIVJDD-GOEBONIOSA-N 2 0 352.479 -0.105 20 0 FBADRP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)N3CCC(OCCC[NH3+])CC3)CC[C@@H]21 ZINC000868385606 661471026 /nfs/dbraw/zinc/47/10/26/661471026.db2.gz VOAUSKLDAIVJDD-HOCLYGCPSA-N 2 0 352.479 -0.105 20 0 FBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC(OCCC[NH3+])CC3)CC[C@@H]21 ZINC000868385607 661471622 /nfs/dbraw/zinc/47/16/22/661471622.db2.gz VOAUSKLDAIVJDD-ZBFHGGJFSA-N 2 0 352.479 -0.105 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC([NH+]3CCN(C)CC3)CC2)[C@@H](C)C[NH2+]1 ZINC000868386367 661471531 /nfs/dbraw/zinc/47/15/31/661471531.db2.gz FTMSFJXWIPWYTD-CABCVRRESA-N 2 0 351.495 -0.566 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)N2CCC([NH+]3CCN(C)CC3)CC2)[C@@H](C)C[NH2+]1 ZINC000868386368 661471557 /nfs/dbraw/zinc/47/15/57/661471557.db2.gz FTMSFJXWIPWYTD-GJZGRUSLSA-N 2 0 351.495 -0.566 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC([NH+]3CCN(C)CC3)CC2)[C@H](C)C[NH2+]1 ZINC000868386369 661471365 /nfs/dbraw/zinc/47/13/65/661471365.db2.gz FTMSFJXWIPWYTD-HUUCEWRRSA-N 2 0 351.495 -0.566 20 0 FBADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000868386370 661471310 /nfs/dbraw/zinc/47/13/10/661471310.db2.gz FTMSFJXWIPWYTD-LSDHHAIUSA-N 2 0 351.495 -0.566 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)[C@@H](C)C[NH2+]1 ZINC000868386396 661471640 /nfs/dbraw/zinc/47/16/40/661471640.db2.gz GVDPFTAANNWROW-CAOSSQGBSA-N 3 0 353.511 -0.607 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)[C@H](C)C[NH2+]1 ZINC000868386397 661471483 /nfs/dbraw/zinc/47/14/83/661471483.db2.gz GVDPFTAANNWROW-KLHDSHLOSA-N 3 0 353.511 -0.607 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)[C@@H](C)C[NH2+]1 ZINC000868386398 661471541 /nfs/dbraw/zinc/47/15/41/661471541.db2.gz GVDPFTAANNWROW-QKPAOTATSA-N 3 0 353.511 -0.607 20 0 FBADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000868386399 661471454 /nfs/dbraw/zinc/47/14/54/661471454.db2.gz GVDPFTAANNWROW-ZJIFWQFVSA-N 3 0 353.511 -0.607 20 0 FBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CCC3(CC2)CC[NH+](C)CC3)CCO1 ZINC000868386740 661471300 /nfs/dbraw/zinc/47/13/00/661471300.db2.gz LCIYZHGXBUHJKM-CABCVRRESA-N 2 0 352.479 -0.105 20 0 FBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CCC3(CC2)CC[NH+](C)CC3)CCO1 ZINC000868386742 661471646 /nfs/dbraw/zinc/47/16/46/661471646.db2.gz LCIYZHGXBUHJKM-GJZGRUSLSA-N 2 0 352.479 -0.105 20 0 FBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CCC3(CC2)CC[NH+](C)CC3)CCO1 ZINC000868386743 661471466 /nfs/dbraw/zinc/47/14/66/661471466.db2.gz LCIYZHGXBUHJKM-HUUCEWRRSA-N 2 0 352.479 -0.105 20 0 FBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CCC3(CC2)CC[NH+](C)CC3)CCO1 ZINC000868386745 661471604 /nfs/dbraw/zinc/47/16/04/661471604.db2.gz LCIYZHGXBUHJKM-LSDHHAIUSA-N 2 0 352.479 -0.105 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCC(C[NH3+])CC2)C[C@H]1C[NH+](C)C ZINC000868388128 661471591 /nfs/dbraw/zinc/47/15/91/661471591.db2.gz SJTJDTFFHJHGHD-HZPDHXFCSA-N 3 0 353.511 -0.619 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC([NH+]3CCN(C)CC3)CC2)C[C@H](C)[NH2+]1 ZINC000868389137 661471445 /nfs/dbraw/zinc/47/14/45/661471445.db2.gz NDVDGJHAEKKKBJ-GASCZTMLSA-N 2 0 351.495 -0.566 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)N2CCC([NH+]3CCN(C)CC3)CC2)C[C@H](C)[NH2+]1 ZINC000868389139 661471473 /nfs/dbraw/zinc/47/14/73/661471473.db2.gz NDVDGJHAEKKKBJ-GJZGRUSLSA-N 2 0 351.495 -0.566 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC([NH+]3CCN(C)CC3)CC2)C[C@@H](C)[NH2+]1 ZINC000868389140 661471436 /nfs/dbraw/zinc/47/14/36/661471436.db2.gz NDVDGJHAEKKKBJ-HUUCEWRRSA-N 2 0 351.495 -0.566 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)C[C@H]1C[NH+](C)C ZINC000868389297 661471598 /nfs/dbraw/zinc/47/15/98/661471598.db2.gz PGPMOBXNLAAHNT-IIDMSEBBSA-N 3 0 353.511 -0.619 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)C[C@H]1C[NH+](C)C ZINC000868389299 661471870 /nfs/dbraw/zinc/47/18/70/661471870.db2.gz PGPMOBXNLAAHNT-RKVPGOIHSA-N 3 0 353.511 -0.619 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C[C@H](C)[NH2+]1 ZINC000868390041 661471997 /nfs/dbraw/zinc/47/19/97/661471997.db2.gz WFKQXZRTSHNBFK-CAOSSQGBSA-N 3 0 353.511 -0.607 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C[C@@H](C)[NH2+]1 ZINC000868390042 661472047 /nfs/dbraw/zinc/47/20/47/661472047.db2.gz WFKQXZRTSHNBFK-KLHDSHLOSA-N 3 0 353.511 -0.607 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C[C@H](C)[NH2+]1 ZINC000868390044 661471932 /nfs/dbraw/zinc/47/19/32/661471932.db2.gz WFKQXZRTSHNBFK-QKPAOTATSA-N 3 0 353.511 -0.607 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC[C@@H]1[NH3+] ZINC000868390506 661472041 /nfs/dbraw/zinc/47/20/41/661472041.db2.gz KXUHXAUKMLPMDL-FPCVCCKLSA-N 3 0 353.511 -0.620 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC[C@@H]1[NH3+] ZINC000868390507 661471820 /nfs/dbraw/zinc/47/18/20/661471820.db2.gz KXUHXAUKMLPMDL-JJXSEGSLSA-N 3 0 353.511 -0.620 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC[C@H]1[NH3+] ZINC000868390508 661472043 /nfs/dbraw/zinc/47/20/43/661472043.db2.gz KXUHXAUKMLPMDL-KLHDSHLOSA-N 3 0 353.511 -0.620 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC[C@H]1[NH3+] ZINC000868390509 661471984 /nfs/dbraw/zinc/47/19/84/661471984.db2.gz KXUHXAUKMLPMDL-ZJIFWQFVSA-N 3 0 353.511 -0.620 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C[C@H]1C[NH+](C)C ZINC000868391029 661471801 /nfs/dbraw/zinc/47/18/01/661471801.db2.gz FHMQTYLIPYAGAQ-FPCVCCKLSA-N 3 0 351.495 -0.996 20 0 FBADRP C[NH+]1CCC2(CCN(C(=O)C(=O)N3CCCO[C@@H](C[NH3+])C3)CC2)CC1 ZINC000868391126 661472085 /nfs/dbraw/zinc/47/20/85/661472085.db2.gz SUZCZQRUYDWAGJ-HNNXBMFYSA-N 2 0 352.479 -0.103 20 0 FBADRP C[NH+]1CCC2(CCN(C(=O)C(=O)N3CCCO[C@H](C[NH3+])C3)CC2)CC1 ZINC000868391127 661471922 /nfs/dbraw/zinc/47/19/22/661471922.db2.gz SUZCZQRUYDWAGJ-OAHLLOKOSA-N 2 0 352.479 -0.103 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCC(C)([NH3+])CC2)C[C@H]1C[NH+](C)C ZINC000868391298 661471867 /nfs/dbraw/zinc/47/18/67/661471867.db2.gz UFYVWJXQZQLGLB-HUUCEWRRSA-N 3 0 353.511 -0.476 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)C[C@H]1C[NH+](C)C ZINC000868392668 661472054 /nfs/dbraw/zinc/47/20/54/661472054.db2.gz BHPPHJFUTBYRHR-NWPKHEMWSA-N 3 0 351.495 -0.866 20 0 FBADRP COCC[NH2+]C1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)CC1 ZINC000868394417 661471828 /nfs/dbraw/zinc/47/18/28/661471828.db2.gz YVYHYEYRLFTLHW-GDBMZVCRSA-N 2 0 352.479 -0.234 20 0 FBADRP COCC[NH2+]C1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)CC1 ZINC000868394418 661472058 /nfs/dbraw/zinc/47/20/58/661472058.db2.gz YVYHYEYRLFTLHW-GOEBONIOSA-N 2 0 352.479 -0.234 20 0 FBADRP COCC[NH2+]C1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)CC1 ZINC000868394419 661471978 /nfs/dbraw/zinc/47/19/78/661471978.db2.gz YVYHYEYRLFTLHW-HOCLYGCPSA-N 2 0 352.479 -0.234 20 0 FBADRP COCC[NH2+]C1CCN(C(=O)C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)CC1 ZINC000868394420 661472056 /nfs/dbraw/zinc/47/20/56/661472056.db2.gz YVYHYEYRLFTLHW-ZBFHGGJFSA-N 2 0 352.479 -0.234 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C[C@H]1C[NH+](C)C ZINC000868396042 661472313 /nfs/dbraw/zinc/47/23/13/661472313.db2.gz RAJMMMLPBHBDNT-KBUPBQIOSA-N 3 0 357.474 -0.918 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1C[NH+](C)C ZINC000868397973 661472323 /nfs/dbraw/zinc/47/23/23/661472323.db2.gz HEPAKMVPJIUGJE-FPCVCCKLSA-N 3 0 351.495 -0.853 20 0 FBADRP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC000868398262 661472372 /nfs/dbraw/zinc/47/23/72/661472372.db2.gz MFGPQIRKCBYGFA-BZUAXINKSA-N 3 0 353.511 -0.605 20 0 FBADRP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC000868398263 661472458 /nfs/dbraw/zinc/47/24/58/661472458.db2.gz MFGPQIRKCBYGFA-OAGGEKHMSA-N 3 0 353.511 -0.605 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C[C@H]1C[NH3+] ZINC000868398769 661472327 /nfs/dbraw/zinc/47/23/27/661472327.db2.gz WTDDDBXSJKPQKO-KLHDSHLOSA-N 3 0 353.511 -0.763 20 0 FBADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)CC1 ZINC000868418328 661473118 /nfs/dbraw/zinc/47/31/18/661473118.db2.gz JPWROWDIEJPAKD-CVEARBPZSA-N 2 0 352.479 -0.356 20 0 FBADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)CC1 ZINC000868418330 661473050 /nfs/dbraw/zinc/47/30/50/661473050.db2.gz JPWROWDIEJPAKD-HOTGVXAUSA-N 2 0 352.479 -0.356 20 0 FBADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC000868418332 661473154 /nfs/dbraw/zinc/47/31/54/661473154.db2.gz JPWROWDIEJPAKD-HZPDHXFCSA-N 2 0 352.479 -0.356 20 0 FBADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC000868418335 661473158 /nfs/dbraw/zinc/47/31/58/661473158.db2.gz JPWROWDIEJPAKD-JKSUJKDBSA-N 2 0 352.479 -0.356 20 0 FBADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)CC1 ZINC000868418598 661473162 /nfs/dbraw/zinc/47/31/62/661473162.db2.gz KLHSODUSXRAYIK-CVEARBPZSA-N 2 0 352.479 -0.092 20 0 FBADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)CC1 ZINC000868418600 661473009 /nfs/dbraw/zinc/47/30/09/661473009.db2.gz KLHSODUSXRAYIK-HOTGVXAUSA-N 2 0 352.479 -0.092 20 0 FBADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC000868418602 661473157 /nfs/dbraw/zinc/47/31/57/661473157.db2.gz KLHSODUSXRAYIK-HZPDHXFCSA-N 2 0 352.479 -0.092 20 0 FBADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC000868418604 661473108 /nfs/dbraw/zinc/47/31/08/661473108.db2.gz KLHSODUSXRAYIK-JKSUJKDBSA-N 2 0 352.479 -0.092 20 0 FBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)CCO1 ZINC000868418668 661473125 /nfs/dbraw/zinc/47/31/25/661473125.db2.gz RLXYNZRCEDCSRJ-BZUAXINKSA-N 2 0 352.479 -0.092 20 0 FBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)CCO1 ZINC000868418669 661473071 /nfs/dbraw/zinc/47/30/71/661473071.db2.gz RLXYNZRCEDCSRJ-OAGGEKHMSA-N 2 0 352.479 -0.092 20 0 FBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)CCO1 ZINC000868418670 661473041 /nfs/dbraw/zinc/47/30/41/661473041.db2.gz RLXYNZRCEDCSRJ-OWCLPIDISA-N 2 0 352.479 -0.092 20 0 FBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)CCO1 ZINC000868418671 661473134 /nfs/dbraw/zinc/47/31/34/661473134.db2.gz RLXYNZRCEDCSRJ-PMPSAXMXSA-N 2 0 352.479 -0.092 20 0 FBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000868419446 661473541 /nfs/dbraw/zinc/47/35/41/661473541.db2.gz PDBXQLJKUNMLJG-CVEARBPZSA-N 2 0 351.495 -0.565 20 0 FBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000868419447 661473409 /nfs/dbraw/zinc/47/34/09/661473409.db2.gz PDBXQLJKUNMLJG-HOTGVXAUSA-N 2 0 351.495 -0.565 20 0 FBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000868419448 661473476 /nfs/dbraw/zinc/47/34/76/661473476.db2.gz PDBXQLJKUNMLJG-HZPDHXFCSA-N 2 0 351.495 -0.565 20 0 FBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000868419449 661473356 /nfs/dbraw/zinc/47/33/56/661473356.db2.gz PDBXQLJKUNMLJG-JKSUJKDBSA-N 2 0 351.495 -0.565 20 0 FBADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000868419504 661473557 /nfs/dbraw/zinc/47/35/57/661473557.db2.gz PUMYODIYRATKRW-CVEARBPZSA-N 2 0 353.511 -0.319 20 0 FBADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000868419508 661473434 /nfs/dbraw/zinc/47/34/34/661473434.db2.gz PUMYODIYRATKRW-HOTGVXAUSA-N 2 0 353.511 -0.319 20 0 FBADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000868419509 661473534 /nfs/dbraw/zinc/47/35/34/661473534.db2.gz PUMYODIYRATKRW-HZPDHXFCSA-N 2 0 353.511 -0.319 20 0 FBADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000868419511 661473456 /nfs/dbraw/zinc/47/34/56/661473456.db2.gz PUMYODIYRATKRW-JKSUJKDBSA-N 2 0 353.511 -0.319 20 0 FBADRP C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000869195645 661478858 /nfs/dbraw/zinc/47/88/58/661478858.db2.gz XOZQDQZOHOFPJZ-MJBXVCDLSA-N 2 0 356.467 -0.281 20 0 FBADRP COC(=O)c1cnn(CC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000870016623 661482064 /nfs/dbraw/zinc/48/20/64/661482064.db2.gz RAWVGPNSKXLCPE-HUUCEWRRSA-N 2 0 351.451 -0.133 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)C[C@H]1C[NH+](C)C ZINC000870016778 661482081 /nfs/dbraw/zinc/48/20/81/661482081.db2.gz ZJABNTNFQOPLQG-ARFHVFGLSA-N 2 0 374.551 -0.144 20 0 FBADRP CNS(=O)(=O)c1cc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)co1 ZINC000870020355 661482248 /nfs/dbraw/zinc/48/22/48/661482248.db2.gz NRFIQSRJNMHKGJ-ZIAGYGMSSA-N 2 0 372.491 -0.001 20 0 FBADRP CC1=C(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)S(=O)(=O)CCO1 ZINC000870020554 661482219 /nfs/dbraw/zinc/48/22/19/661482219.db2.gz RSIKBEVNGVQLKX-ZIAGYGMSSA-N 2 0 359.492 -0.139 20 0 FBADRP CCN(CC)S(=O)(=O)CC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870020684 661481982 /nfs/dbraw/zinc/48/19/82/661481982.db2.gz FCKSZJDVMGKMBQ-HUUCEWRRSA-N 2 0 362.540 -0.144 20 0 FBADRP COC(=O)c1cn(CC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)nn1 ZINC000870021341 661482225 /nfs/dbraw/zinc/48/22/25/661482225.db2.gz OFOPXHJZMCKFEV-CHWSQXEVSA-N 2 0 352.439 -0.738 20 0 FBADRP COCC(=O)N[C@H](C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)C(C)C ZINC000870021663 661482119 /nfs/dbraw/zinc/48/21/19/661482119.db2.gz SYSKDTDFCDEMMT-INMHGKMJSA-N 2 0 356.511 -0.029 20 0 FBADRP CCCCS(=O)(=O)NCC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870021759 661482192 /nfs/dbraw/zinc/48/21/92/661482192.db2.gz KBLMGGOQQHDNPG-HUUCEWRRSA-N 2 0 362.540 -0.096 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C2=NN(CCO)C(=O)CC2)C[C@H]1C[NH+](C)C ZINC000870021879 661482242 /nfs/dbraw/zinc/48/22/42/661482242.db2.gz MUYGAXBEAWWKIY-ZIAGYGMSSA-N 2 0 353.467 -0.845 20 0 FBADRP C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870022410 661482165 /nfs/dbraw/zinc/48/21/65/661482165.db2.gz RNBHMJHJISYSEY-DTZQCDIJSA-N 2 0 354.495 -0.540 20 0 FBADRP C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870022412 661482188 /nfs/dbraw/zinc/48/21/88/661482188.db2.gz RNBHMJHJISYSEY-LCGIIJARSA-N 2 0 354.495 -0.540 20 0 FBADRP C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870022413 661482085 /nfs/dbraw/zinc/48/20/85/661482085.db2.gz RNBHMJHJISYSEY-MIGQKNRLSA-N 2 0 354.495 -0.540 20 0 FBADRP C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870022415 661482204 /nfs/dbraw/zinc/48/22/04/661482204.db2.gz RNBHMJHJISYSEY-XZDPQHSOSA-N 2 0 354.495 -0.540 20 0 FBADRP CC(C)[C@H](NS(C)(=O)=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870022447 661482234 /nfs/dbraw/zinc/48/22/34/661482234.db2.gz SIZNMVUJMFOYPJ-KFWWJZLASA-N 2 0 362.540 -0.242 20 0 FBADRP CC(C)[C@@H](NS(C)(=O)=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870022456 661482070 /nfs/dbraw/zinc/48/20/70/661482070.db2.gz SIZNMVUJMFOYPJ-RBSFLKMASA-N 2 0 362.540 -0.242 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)CS(=O)(=O)NC(C)(C)C)C[C@H]1C[NH+](C)C ZINC000870022857 661482027 /nfs/dbraw/zinc/48/20/27/661482027.db2.gz AUVRXXPWFRMGBV-ZIAGYGMSSA-N 2 0 362.540 -0.098 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)CCN2CCCS2(=O)=O)C[C@H]1C[NH+](C)C ZINC000870022916 661482413 /nfs/dbraw/zinc/48/24/13/661482413.db2.gz DXBGDSGKFRKKDK-HUUCEWRRSA-N 2 0 360.524 -0.390 20 0 FBADRP CC(C)NC(=O)CN(C)CC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870023448 661482403 /nfs/dbraw/zinc/48/24/03/661482403.db2.gz YODOXUYHMPBYDN-HZPDHXFCSA-N 2 0 355.527 -0.359 20 0 FBADRP Cn1nnnc1SCCC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870023467 661482410 /nfs/dbraw/zinc/48/24/10/661482410.db2.gz ZMTNAZLLLSHQQF-CHWSQXEVSA-N 2 0 355.512 -0.110 20 0 FBADRP COCCN1C[C@@H](C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC1=O ZINC000870023695 661482515 /nfs/dbraw/zinc/48/25/15/661482515.db2.gz JAMARYXXHQAINP-ARFHVFGLSA-N 2 0 354.495 -0.321 20 0 FBADRP COCCN1C[C@H](C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC1=O ZINC000870023696 661482495 /nfs/dbraw/zinc/48/24/95/661482495.db2.gz JAMARYXXHQAINP-BZUAXINKSA-N 2 0 354.495 -0.321 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2CCCN2S(C)(=O)=O)C[C@H]1C[NH+](C)C ZINC000870023748 661482430 /nfs/dbraw/zinc/48/24/30/661482430.db2.gz LEYZAGLLRLYNIL-KFWWJZLASA-N 2 0 360.524 -0.392 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2CCCN2S(C)(=O)=O)C[C@H]1C[NH+](C)C ZINC000870023749 661482499 /nfs/dbraw/zinc/48/24/99/661482499.db2.gz LEYZAGLLRLYNIL-RBSFLKMASA-N 2 0 360.524 -0.392 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2CCCCN2S(C)(=O)=O)C[C@H]1C[NH+](C)C ZINC000870023990 661482502 /nfs/dbraw/zinc/48/25/02/661482502.db2.gz FVMFEVJMWPNLAS-BZUAXINKSA-N 2 0 374.551 -0.002 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2CCCCN2S(C)(=O)=O)C[C@H]1C[NH+](C)C ZINC000870023991 661482406 /nfs/dbraw/zinc/48/24/06/661482406.db2.gz FVMFEVJMWPNLAS-OAGGEKHMSA-N 2 0 374.551 -0.002 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)CCC(=O)N2CCOCC2)C[C@H]1C[NH+](C)C ZINC000870024019 661482482 /nfs/dbraw/zinc/48/24/82/661482482.db2.gz GYZFASMWVYOGPL-HZPDHXFCSA-N 2 0 354.495 -0.177 20 0 FBADRP CNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)o1 ZINC000870024145 661482451 /nfs/dbraw/zinc/48/24/51/661482451.db2.gz VDYPUBARDAMEIL-CHWSQXEVSA-N 2 0 372.491 -0.001 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)CN2CCCCC(=O)C2=O)C[C@H]1C[NH+](C)C ZINC000870025297 661482491 /nfs/dbraw/zinc/48/24/91/661482491.db2.gz QCKCKCUXAUISLX-HUUCEWRRSA-N 2 0 352.479 -0.234 20 0 FBADRP C[NH+]1CCC(C(=O)NCC2(NC(=O)C3CC[NH+](C)CC3)COC2)CC1 ZINC000870199898 661484147 /nfs/dbraw/zinc/48/41/47/661484147.db2.gz OWPJURZZERBPHS-UHFFFAOYSA-N 2 0 352.479 -0.329 20 0 FBADRP COC(=O)[C@H](CCNC(=O)C1([NH+](C)C)CC1)NC(=O)C1([NH+](C)C)CC1 ZINC000870862956 661486998 /nfs/dbraw/zinc/48/69/98/661486998.db2.gz IMHDFLOKYZQCQV-LBPRGKRZSA-N 2 0 354.451 -0.661 20 0 FBADRP COC(=O)[C@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)NC(=O)[C@H]1CCC[NH+]1C ZINC000870863379 661487016 /nfs/dbraw/zinc/48/70/16/661487016.db2.gz DHBVGFKVOBBJMZ-BFHYXJOUSA-N 2 0 354.451 -0.661 20 0 FBADRP COC(=O)[C@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)NC(=O)[C@@H]1CCC[NH+]1C ZINC000870863380 661486981 /nfs/dbraw/zinc/48/69/81/661486981.db2.gz DHBVGFKVOBBJMZ-IHRRRGAJSA-N 2 0 354.451 -0.661 20 0 FBADRP C[NH+]1CCN(CCCS(=O)(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000871812033 661490890 /nfs/dbraw/zinc/49/08/90/661490890.db2.gz YTMFGYKDDBGMAA-INIZCTEOSA-N 2 0 374.551 -0.298 20 0 FBADRP C[NH+]1CCN(CCCS(=O)(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000871812034 661490903 /nfs/dbraw/zinc/49/09/03/661490903.db2.gz YTMFGYKDDBGMAA-MRXNPFEDSA-N 2 0 374.551 -0.298 20 0 FBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872187186 661492000 /nfs/dbraw/zinc/49/20/00/661492000.db2.gz DQVRQVUKFWEZGI-HDMKZQKVSA-N 2 0 352.479 -0.377 20 0 FBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872187193 661492073 /nfs/dbraw/zinc/49/20/73/661492073.db2.gz DQVRQVUKFWEZGI-RLFYNMQTSA-N 2 0 352.479 -0.377 20 0 FBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872188981 661492069 /nfs/dbraw/zinc/49/20/69/661492069.db2.gz BACHKALXKXOLOG-NEPJUHHUSA-N 2 0 368.400 -0.381 20 0 FBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872188982 661492086 /nfs/dbraw/zinc/49/20/86/661492086.db2.gz BACHKALXKXOLOG-NWDGAFQWSA-N 2 0 368.400 -0.381 20 0 FBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872188983 661491989 /nfs/dbraw/zinc/49/19/89/661491989.db2.gz BACHKALXKXOLOG-RYUDHWBXSA-N 2 0 368.400 -0.381 20 0 FBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872188984 661492031 /nfs/dbraw/zinc/49/20/31/661492031.db2.gz BACHKALXKXOLOG-VXGBXAGGSA-N 2 0 368.400 -0.381 20 0 FBADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC1 ZINC000872189352 661492236 /nfs/dbraw/zinc/49/22/36/661492236.db2.gz GBVGHAHSPMPIJE-KBXCAEBGSA-N 2 0 352.479 -0.377 20 0 FBADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC1 ZINC000872190473 661492237 /nfs/dbraw/zinc/49/22/37/661492237.db2.gz UECHWAYDPUTVNX-KBXCAEBGSA-N 2 0 352.479 -0.641 20 0 FBADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872190620 661492570 /nfs/dbraw/zinc/49/25/70/661492570.db2.gz RYHQUQURBMXTIE-MAUKXSAKSA-N 2 0 354.495 -0.129 20 0 FBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872191624 661492546 /nfs/dbraw/zinc/49/25/46/661492546.db2.gz YYIOKODJFAKBEQ-MAUKXSAKSA-N 2 0 351.495 -0.850 20 0 FBADRP C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872192984 661492812 /nfs/dbraw/zinc/49/28/12/661492812.db2.gz NWCKUPDKCOCVFG-QWQRMKEZSA-N 2 0 352.479 -0.642 20 0 FBADRP C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872192985 661492864 /nfs/dbraw/zinc/49/28/64/661492864.db2.gz NWCKUPDKCOCVFG-SUNYJGFJSA-N 2 0 352.479 -0.642 20 0 FBADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872196908 661493358 /nfs/dbraw/zinc/49/33/58/661493358.db2.gz XSJUWNCTSRSEDT-MAUKXSAKSA-N 2 0 353.511 -0.604 20 0 FBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CCO1 ZINC000872197059 661493386 /nfs/dbraw/zinc/49/33/86/661493386.db2.gz VPSOTKGATPTSGD-HDMKZQKVSA-N 2 0 352.479 -0.377 20 0 FBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CCO1 ZINC000872197060 661493470 /nfs/dbraw/zinc/49/34/70/661493470.db2.gz VPSOTKGATPTSGD-RLFYNMQTSA-N 2 0 352.479 -0.377 20 0 FBADRP CNS(=O)(=O)c1ccc(CC[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000872234660 661494022 /nfs/dbraw/zinc/49/40/22/661494022.db2.gz FGHBDXFUZCLVDD-INIZCTEOSA-N 2 0 370.519 -0.665 20 0 FBADRP CNS(=O)(=O)c1ccc(CC[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000872234668 661494057 /nfs/dbraw/zinc/49/40/57/661494057.db2.gz FGHBDXFUZCLVDD-MRXNPFEDSA-N 2 0 370.519 -0.665 20 0 FBADRP O=C(N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000872253721 661493987 /nfs/dbraw/zinc/49/39/87/661493987.db2.gz FESQHMRFWYUNSL-SYEQVDHESA-N 2 0 350.419 -0.994 20 0 FBADRP O=C(C[C@@H]1CSCC[NH2+]1)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000872254613 661494035 /nfs/dbraw/zinc/49/40/35/661494035.db2.gz IOJPWAFXFWZZNX-BNOWGMLFSA-N 2 0 354.476 -0.135 20 0 FBADRP O=C(C[C@H]1CSCC[NH2+]1)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000872254621 661494028 /nfs/dbraw/zinc/49/40/28/661494028.db2.gz IOJPWAFXFWZZNX-YUTCNCBUSA-N 2 0 354.476 -0.135 20 0 FBADRP COC[C@@]1(C(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)CC[NH2+]C1 ZINC000872257355 661494075 /nfs/dbraw/zinc/49/40/75/661494075.db2.gz PZZWTPRJUSAZAV-JKIFEVAISA-N 2 0 352.435 -0.604 20 0 FBADRP COC[C@]1(C(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)CC[NH2+]C1 ZINC000872257356 661494040 /nfs/dbraw/zinc/49/40/40/661494040.db2.gz PZZWTPRJUSAZAV-KEYYUXOJSA-N 2 0 352.435 -0.604 20 0 FBADRP COC[C@]1(C(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CCCC[NH2+]1 ZINC000872302607 661494751 /nfs/dbraw/zinc/49/47/51/661494751.db2.gz FJVUGWPQSSTQOL-LOUJCGABSA-N 2 0 352.435 -0.461 20 0 FBADRP COC[C@@]1(C(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CCCC[NH2+]1 ZINC000872302608 661494786 /nfs/dbraw/zinc/49/47/86/661494786.db2.gz FJVUGWPQSSTQOL-QDEZUTFSSA-N 2 0 352.435 -0.461 20 0 FBADRP COC[C@@]1(C(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CCCC[NH2+]1 ZINC000872302609 661494701 /nfs/dbraw/zinc/49/47/01/661494701.db2.gz FJVUGWPQSSTQOL-VWPFQQQWSA-N 2 0 352.435 -0.461 20 0 FBADRP COC[C@]1(C(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CCCC[NH2+]1 ZINC000872302610 661494678 /nfs/dbraw/zinc/49/46/78/661494678.db2.gz FJVUGWPQSSTQOL-WVZRYYJFSA-N 2 0 352.435 -0.461 20 0 FBADRP O=C(N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000872305785 661494832 /nfs/dbraw/zinc/49/48/32/661494832.db2.gz YSJNKFGMEOPDHD-BBGACYKPSA-N 2 0 362.352 -0.078 20 0 FBADRP O=C(N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000872305787 661494708 /nfs/dbraw/zinc/49/47/08/661494708.db2.gz YSJNKFGMEOPDHD-MIJXAVMKSA-N 2 0 362.352 -0.078 20 0 FBADRP O=C(N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000872305788 661494827 /nfs/dbraw/zinc/49/48/27/661494827.db2.gz YSJNKFGMEOPDHD-NJBDSQKTSA-N 2 0 362.352 -0.078 20 0 FBADRP O=C(N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000872305789 661494756 /nfs/dbraw/zinc/49/47/56/661494756.db2.gz YSJNKFGMEOPDHD-PUHVVEEASA-N 2 0 362.352 -0.078 20 0 FBADRP C[NH+]1CCN(CCCS(=O)(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)CC1 ZINC000872617195 661497339 /nfs/dbraw/zinc/49/73/39/661497339.db2.gz NCUIQORFXWXOTM-JKSUJKDBSA-N 2 0 360.524 -0.905 20 0 FBADRP COC[C@@]1(C)NC(=O)N(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1=O ZINC000872636117 661497331 /nfs/dbraw/zinc/49/73/31/661497331.db2.gz AVVKXXJLZAUUFW-CKEIUWERSA-N 2 0 355.483 -0.428 20 0 FBADRP COC[C@]1(C)NC(=O)N(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1=O ZINC000872636120 661497381 /nfs/dbraw/zinc/49/73/81/661497381.db2.gz AVVKXXJLZAUUFW-CPUCHLNUSA-N 2 0 355.483 -0.428 20 0 FBADRP CN(C)S(=O)(=O)c1cnn(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000872636855 661497336 /nfs/dbraw/zinc/49/73/36/661497336.db2.gz XCALOAFXILGSBI-HUUCEWRRSA-N 2 0 372.539 -0.238 20 0 FBADRP CC(C)N1C(=O)C(=O)N(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1=O ZINC000872637579 661497363 /nfs/dbraw/zinc/49/73/63/661497363.db2.gz LWEYGQVZSGKIKV-ZIAGYGMSSA-N 2 0 353.467 -0.186 20 0 FBADRP CCCN1C(=O)C(=O)N(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1=O ZINC000872637740 661497291 /nfs/dbraw/zinc/49/72/91/661497291.db2.gz QIIRWCTZMPFTQM-ZIAGYGMSSA-N 2 0 353.467 -0.184 20 0 FBADRP Cc1nonc1CNC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000872976362 661503092 /nfs/dbraw/zinc/50/30/92/661503092.db2.gz CILBZJSNSSTYPW-CHWSQXEVSA-N 2 0 352.439 -0.808 20 0 FBADRP Cc1cnn(C)c1NC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000873982311 661507088 /nfs/dbraw/zinc/50/70/88/661507088.db2.gz HPNWCXNYHOIDIC-ZIAGYGMSSA-N 2 0 350.467 -0.135 20 0 FBADRP COc1cc(NC(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)[nH]n1 ZINC000873982652 661507052 /nfs/dbraw/zinc/50/70/52/661507052.db2.gz QRYQOXZXMVJDNO-VXGBXAGGSA-N 2 0 352.439 -0.445 20 0 FBADRP Cc1c(NC(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cnn1C ZINC000873983089 661507101 /nfs/dbraw/zinc/50/71/01/661507101.db2.gz PAWYOQKMJLJVON-ZIAGYGMSSA-N 2 0 350.467 -0.135 20 0 FBADRP Cc1cc(NC(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)n(C)n1 ZINC000873983097 661507127 /nfs/dbraw/zinc/50/71/27/661507127.db2.gz PFWUCCXYNHGNCO-ZIAGYGMSSA-N 2 0 350.467 -0.135 20 0 FBADRP Cc1cc(NC(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)nn1C ZINC000873983286 661507046 /nfs/dbraw/zinc/50/70/46/661507046.db2.gz VXWOJBBNLFPJOP-ZIAGYGMSSA-N 2 0 350.467 -0.135 20 0 FBADRP COC(OC)C(=O)N(C)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000874436859 661509041 /nfs/dbraw/zinc/50/90/41/661509041.db2.gz VTPFJMVBRXOBLA-UHFFFAOYSA-N 2 0 356.467 -0.698 20 0 FBADRP CC[NH+](CC)CCNC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000874974204 661511697 /nfs/dbraw/zinc/51/16/97/661511697.db2.gz LUJKIDKJPQCAQY-HZPDHXFCSA-N 3 0 355.527 -0.358 20 0 FBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000874975176 661511766 /nfs/dbraw/zinc/51/17/66/661511766.db2.gz SGAJIBLUYPFXBX-UHFFFAOYSA-N 2 0 353.511 -0.317 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NCCn2ccnc2)C[C@H]1C[NH+](C)C ZINC000874998933 661512020 /nfs/dbraw/zinc/51/20/20/661512020.db2.gz YPMBGRVRCPUEBB-HUUCEWRRSA-N 2 0 350.467 -0.803 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NCC[C@H]2CCCO2)C[C@H]1C[NH+](C)C ZINC000875026347 661512000 /nfs/dbraw/zinc/51/20/00/661512000.db2.gz FIXVGYWOYQZLRA-BZUAXINKSA-N 2 0 354.495 -0.131 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NCCc2cscn2)C[C@H]1C[NH+](C)C ZINC000875027096 661512069 /nfs/dbraw/zinc/51/20/69/661512069.db2.gz PAULBLQQBYWEGA-ZIAGYGMSSA-N 2 0 367.519 0.000 20 0 FBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NCCCC[NH+]3CCOCC3)CC[C@@H]21 ZINC000875065678 661512752 /nfs/dbraw/zinc/51/27/52/661512752.db2.gz HPJRSDWZGHQJAO-CVEARBPZSA-N 2 0 352.479 -0.232 20 0 FBADRP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)NCCCC[NH+]3CCOCC3)CC[C@@H]21 ZINC000875065679 661512629 /nfs/dbraw/zinc/51/26/29/661512629.db2.gz HPJRSDWZGHQJAO-HOTGVXAUSA-N 2 0 352.479 -0.232 20 0 FBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NCCCC[NH+]3CCOCC3)CC[C@H]21 ZINC000875065680 661512663 /nfs/dbraw/zinc/51/26/63/661512663.db2.gz HPJRSDWZGHQJAO-HZPDHXFCSA-N 2 0 352.479 -0.232 20 0 FBADRP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)NCCCC[NH+]3CCOCC3)CC[C@H]21 ZINC000875065681 661512826 /nfs/dbraw/zinc/51/28/26/661512826.db2.gz HPJRSDWZGHQJAO-JKSUJKDBSA-N 2 0 352.479 -0.232 20 0 FBADRP Cc1cc(CNC(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)no1 ZINC000875072465 661512905 /nfs/dbraw/zinc/51/29/05/661512905.db2.gz BZLYCQSVGOCFNJ-ZIAGYGMSSA-N 2 0 351.451 -0.203 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NCC2CCOCC2)C[C@H]1C[NH+](C)C ZINC000875073212 661513051 /nfs/dbraw/zinc/51/30/51/661513051.db2.gz CJIJOUFKJDBWHP-HZPDHXFCSA-N 2 0 354.495 -0.273 20 0 FBADRP CCS(=O)(=O)NCCNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875082929 661513320 /nfs/dbraw/zinc/51/33/20/661513320.db2.gz IHAQLXQDRMLUEN-ZIAGYGMSSA-N 2 0 363.528 -0.694 20 0 FBADRP Cn1nccc1CNC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875084217 661513412 /nfs/dbraw/zinc/51/34/12/661513412.db2.gz XHXVOIBYRQAUBP-ZIAGYGMSSA-N 2 0 350.467 -0.766 20 0 FBADRP Cc1n[nH]cc1CNC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875086157 661513355 /nfs/dbraw/zinc/51/33/55/661513355.db2.gz NGVPYHIKVLRQPW-HUUCEWRRSA-N 2 0 350.467 -0.468 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NCc2nccs2)C[C@H]1C[NH+](C)C ZINC000875100822 661513967 /nfs/dbraw/zinc/51/39/67/661513967.db2.gz HBDSSLLHTZDEKX-CHWSQXEVSA-N 2 0 353.492 -0.043 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCCOC2)C[C@H]1C[NH+](C)C ZINC000875104386 661514066 /nfs/dbraw/zinc/51/40/66/661514066.db2.gz CYCZOKUGFIFVOS-ARFHVFGLSA-N 2 0 354.495 -0.273 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCCOC2)C[C@H]1C[NH+](C)C ZINC000875104388 661513993 /nfs/dbraw/zinc/51/39/93/661513993.db2.gz CYCZOKUGFIFVOS-BZUAXINKSA-N 2 0 354.495 -0.273 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NCCc2nccs2)C[C@H]1C[NH+](C)C ZINC000875108111 661513963 /nfs/dbraw/zinc/51/39/63/661513963.db2.gz ITFVMTWNHDLPCD-ZIAGYGMSSA-N 2 0 367.519 0.000 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NCCn2cccn2)C[C@H]1C[NH+](C)C ZINC000875109446 661513879 /nfs/dbraw/zinc/51/38/79/661513879.db2.gz HZQKWTMPOMWFAQ-HUUCEWRRSA-N 2 0 350.467 -0.803 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCCCO2)C[C@H]1C[NH+](C)C ZINC000875112143 661514434 /nfs/dbraw/zinc/51/44/34/661514434.db2.gz FNZVCZZTQWJHSD-BZUAXINKSA-N 2 0 354.495 -0.131 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCCCO2)C[C@H]1C[NH+](C)C ZINC000875112144 661514443 /nfs/dbraw/zinc/51/44/43/661514443.db2.gz FNZVCZZTQWJHSD-OAGGEKHMSA-N 2 0 354.495 -0.131 20 0 FBADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)CC1 ZINC000875114664 661514426 /nfs/dbraw/zinc/51/44/26/661514426.db2.gz ZZVVYKCJTBXFOJ-GDBMZVCRSA-N 2 0 352.479 -0.234 20 0 FBADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)CC1 ZINC000875114665 661514279 /nfs/dbraw/zinc/51/42/79/661514279.db2.gz ZZVVYKCJTBXFOJ-GOEBONIOSA-N 2 0 352.479 -0.234 20 0 FBADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)CC1 ZINC000875114666 661514348 /nfs/dbraw/zinc/51/43/48/661514348.db2.gz ZZVVYKCJTBXFOJ-HOCLYGCPSA-N 2 0 352.479 -0.234 20 0 FBADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)CC1 ZINC000875114667 661514462 /nfs/dbraw/zinc/51/44/62/661514462.db2.gz ZZVVYKCJTBXFOJ-ZBFHGGJFSA-N 2 0 352.479 -0.234 20 0 FBADRP Cn1cc(CNC(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cn1 ZINC000875122742 661514268 /nfs/dbraw/zinc/51/42/68/661514268.db2.gz DNMAJPFIZPSGQW-HUUCEWRRSA-N 2 0 350.467 -0.766 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NCC[N@H+](C)C2CC2)C[C@H]1C[NH+](C)C ZINC000875125043 661514356 /nfs/dbraw/zinc/51/43/56/661514356.db2.gz FFJKKMHVTQRDKB-HUUCEWRRSA-N 3 0 353.511 -0.605 20 0 FBADRP CN1CC[NH+](C2CCN(C(=O)C(=O)NCC[N@H+](C)C3CC3)CC2)CC1 ZINC000875125631 661514716 /nfs/dbraw/zinc/51/47/16/661514716.db2.gz RGXPDXVJRZVMDF-UHFFFAOYSA-N 2 0 351.495 -0.565 20 0 FBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000875131700 661514655 /nfs/dbraw/zinc/51/46/55/661514655.db2.gz HNKMOHRVPFOHRG-HNNXBMFYSA-N 2 0 353.511 -0.319 20 0 FBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000875131702 661514629 /nfs/dbraw/zinc/51/46/29/661514629.db2.gz HNKMOHRVPFOHRG-OAHLLOKOSA-N 2 0 353.511 -0.319 20 0 FBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875132694 661514697 /nfs/dbraw/zinc/51/46/97/661514697.db2.gz SUTUMLSILZXLIL-ARFHVFGLSA-N 3 0 355.527 -0.359 20 0 FBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875132696 661514589 /nfs/dbraw/zinc/51/45/89/661514589.db2.gz SUTUMLSILZXLIL-BZUAXINKSA-N 3 0 355.527 -0.359 20 0 FBADRP Cc1cc(CNC(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)on1 ZINC000875135286 661514699 /nfs/dbraw/zinc/51/46/99/661514699.db2.gz UQNLJJPBKLTPRY-ZIAGYGMSSA-N 2 0 351.451 -0.203 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NCCOCC2CC2)C[C@H]1C[NH+](C)C ZINC000875139236 661514725 /nfs/dbraw/zinc/51/47/25/661514725.db2.gz VLTWOZHPGBUATG-HZPDHXFCSA-N 2 0 354.495 -0.273 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NCc2cscn2)C[C@H]1C[NH+](C)C ZINC000875153018 661514863 /nfs/dbraw/zinc/51/48/63/661514863.db2.gz XHDVWJVVEKOQMT-CHWSQXEVSA-N 2 0 353.492 -0.043 20 0 FBADRP C[N@@H+]1CCN(C(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)CCC1(C)C ZINC000875155164 661515496 /nfs/dbraw/zinc/51/54/96/661515496.db2.gz CAYMJSUVTHWYQW-CABCVRRESA-N 2 0 352.479 -0.092 20 0 FBADRP C[N@@H+]1CCN(C(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)CCC1(C)C ZINC000875155165 661515341 /nfs/dbraw/zinc/51/53/41/661515341.db2.gz CAYMJSUVTHWYQW-GJZGRUSLSA-N 2 0 352.479 -0.092 20 0 FBADRP C[N@@H+]1CCN(C(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)CCC1(C)C ZINC000875155166 661515270 /nfs/dbraw/zinc/51/52/70/661515270.db2.gz CAYMJSUVTHWYQW-HUUCEWRRSA-N 2 0 352.479 -0.092 20 0 FBADRP C[N@@H+]1CCN(C(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)CCC1(C)C ZINC000875155167 661515401 /nfs/dbraw/zinc/51/54/01/661515401.db2.gz CAYMJSUVTHWYQW-LSDHHAIUSA-N 2 0 352.479 -0.092 20 0 FBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3C[NH+]4CCC[C@@H]4CO3)CC[C@@H]21 ZINC000875155363 661515381 /nfs/dbraw/zinc/51/53/81/661515381.db2.gz FKBZOTAVBOPLPC-FPCVCCKLSA-N 2 0 350.463 -0.482 20 0 FBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3C[NH+]4CCC[C@@H]4CO3)CC[C@H]21 ZINC000875155364 661515434 /nfs/dbraw/zinc/51/54/34/661515434.db2.gz FKBZOTAVBOPLPC-KLHDSHLOSA-N 2 0 350.463 -0.482 20 0 FBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3C[NH+]4CCC[C@H]4CO3)CC[C@H]21 ZINC000875155365 661515249 /nfs/dbraw/zinc/51/52/49/661515249.db2.gz FKBZOTAVBOPLPC-QKPAOTATSA-N 2 0 350.463 -0.482 20 0 FBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3C[NH+]4CCC[C@H]4CO3)CC[C@@H]21 ZINC000875155366 661515324 /nfs/dbraw/zinc/51/53/24/661515324.db2.gz FKBZOTAVBOPLPC-QXSJWSMHSA-N 2 0 350.463 -0.482 20 0 FBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000875167926 661515671 /nfs/dbraw/zinc/51/56/71/661515671.db2.gz PJVIIUGGQGHZTL-ARFHVFGLSA-N 2 0 352.479 -0.234 20 0 FBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000875167927 661515890 /nfs/dbraw/zinc/51/58/90/661515890.db2.gz PJVIIUGGQGHZTL-BZUAXINKSA-N 2 0 352.479 -0.234 20 0 FBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000875167928 661515827 /nfs/dbraw/zinc/51/58/27/661515827.db2.gz PJVIIUGGQGHZTL-OAGGEKHMSA-N 2 0 352.479 -0.234 20 0 FBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000875167929 661515902 /nfs/dbraw/zinc/51/59/02/661515902.db2.gz PJVIIUGGQGHZTL-XHSDSOJGSA-N 2 0 352.479 -0.234 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCC=CO2)C[C@H]1C[NH+](C)C ZINC000875196512 661516301 /nfs/dbraw/zinc/51/63/01/661516301.db2.gz XZSAIAZDEIDSLE-BZUAXINKSA-N 2 0 352.479 -0.007 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCC=CO2)C[C@H]1C[NH+](C)C ZINC000875196514 661516654 /nfs/dbraw/zinc/51/66/54/661516654.db2.gz XZSAIAZDEIDSLE-OAGGEKHMSA-N 2 0 352.479 -0.007 20 0 FBADRP CC[S@](=O)CCNC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875197207 661516489 /nfs/dbraw/zinc/51/64/89/661516489.db2.gz KAECAQIUZAIHJG-ICBMNTSNSA-N 2 0 360.524 -0.931 20 0 FBADRP CC[S@@](=O)CCNC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875197208 661516556 /nfs/dbraw/zinc/51/65/56/661516556.db2.gz KAECAQIUZAIHJG-KPVUDJQRSA-N 2 0 360.524 -0.931 20 0 FBADRP Cn1ccc(CNC(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)n1 ZINC000875200879 661516674 /nfs/dbraw/zinc/51/66/74/661516674.db2.gz QBJJVTSPVCXFCV-ZIAGYGMSSA-N 2 0 350.467 -0.766 20 0 FBADRP Cc1cc(CNC(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)[nH]n1 ZINC000875202430 661516841 /nfs/dbraw/zinc/51/68/41/661516841.db2.gz YMNPJBVQLPNHMK-ZIAGYGMSSA-N 2 0 350.467 -0.468 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NC[C@@]2(C)CCCO2)C[C@H]1C[NH+](C)C ZINC000875203349 661517031 /nfs/dbraw/zinc/51/70/31/661517031.db2.gz ROLFFQIMKQQUIH-IIDMSEBBSA-N 2 0 354.495 -0.131 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NC[C@]2(C)CCCO2)C[C@H]1C[NH+](C)C ZINC000875203350 661517057 /nfs/dbraw/zinc/51/70/57/661517057.db2.gz ROLFFQIMKQQUIH-RKVPGOIHSA-N 2 0 354.495 -0.131 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NC[C@@]2(C)CCOC2)C[C@H]1C[NH+](C)C ZINC000875207963 661516836 /nfs/dbraw/zinc/51/68/36/661516836.db2.gz NMROPKYPNUXWRX-IIDMSEBBSA-N 2 0 354.495 -0.273 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NC[C@]2(C)CCOC2)C[C@H]1C[NH+](C)C ZINC000875207964 661516830 /nfs/dbraw/zinc/51/68/30/661516830.db2.gz NMROPKYPNUXWRX-RKVPGOIHSA-N 2 0 354.495 -0.273 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000875209373 661516980 /nfs/dbraw/zinc/51/69/80/661516980.db2.gz QCMAZFWHWNVCBM-CSLYMUCUSA-N 2 0 353.511 -0.273 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000875209379 661516993 /nfs/dbraw/zinc/51/69/93/661516993.db2.gz QCMAZFWHWNVCBM-SWKXRBFHSA-N 2 0 353.511 -0.273 20 0 FBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000875239143 661518064 /nfs/dbraw/zinc/51/80/64/661518064.db2.gz DVCCVEVZYBXNPB-ILXRZTDVSA-N 2 0 353.467 -0.511 20 0 FBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000875239144 661518031 /nfs/dbraw/zinc/51/80/31/661518031.db2.gz DVCCVEVZYBXNPB-KFWWJZLASA-N 2 0 353.467 -0.511 20 0 FBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000875239145 661517944 /nfs/dbraw/zinc/51/79/44/661517944.db2.gz DVCCVEVZYBXNPB-KKUMJFAQSA-N 2 0 353.467 -0.511 20 0 FBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000875239146 661517870 /nfs/dbraw/zinc/51/78/70/661517870.db2.gz DVCCVEVZYBXNPB-ZNMIVQPWSA-N 2 0 353.467 -0.511 20 0 FBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCO1 ZINC000875243808 661517864 /nfs/dbraw/zinc/51/78/64/661517864.db2.gz LXJBUKJPGZRZFO-FPCVCCKLSA-N 2 0 354.495 -0.132 20 0 FBADRP C[C@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCO1 ZINC000875243809 661518015 /nfs/dbraw/zinc/51/80/15/661518015.db2.gz LXJBUKJPGZRZFO-JJXSEGSLSA-N 2 0 354.495 -0.132 20 0 FBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCO1 ZINC000875243810 661518020 /nfs/dbraw/zinc/51/80/20/661518020.db2.gz LXJBUKJPGZRZFO-KLHDSHLOSA-N 2 0 354.495 -0.132 20 0 FBADRP C[C@H]1C[C@H](NC(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCO1 ZINC000875243811 661517821 /nfs/dbraw/zinc/51/78/21/661517821.db2.gz LXJBUKJPGZRZFO-ZJIFWQFVSA-N 2 0 354.495 -0.132 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NCCOC2CCC2)C[C@H]1C[NH+](C)C ZINC000875251576 661518268 /nfs/dbraw/zinc/51/82/68/661518268.db2.gz MOTUCBYYAUMHTO-HUUCEWRRSA-N 2 0 354.495 -0.131 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NCC[C@H]2CCOC2)C[C@H]1C[NH+](C)C ZINC000875258835 661518354 /nfs/dbraw/zinc/51/83/54/661518354.db2.gz BPRFAWNZKLTXCK-ARFHVFGLSA-N 2 0 354.495 -0.273 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NCC[C@@H]2CCOC2)C[C@H]1C[NH+](C)C ZINC000875258836 661518405 /nfs/dbraw/zinc/51/84/05/661518405.db2.gz BPRFAWNZKLTXCK-BZUAXINKSA-N 2 0 354.495 -0.273 20 0 FBADRP COC[C@@H](NC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)C(C)C ZINC000875263561 661518387 /nfs/dbraw/zinc/51/83/87/661518387.db2.gz QKRKPJLMBHMMGX-BZUAXINKSA-N 2 0 356.511 -0.029 20 0 FBADRP COC[C@H](NC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)C(C)C ZINC000875263562 661518321 /nfs/dbraw/zinc/51/83/21/661518321.db2.gz QKRKPJLMBHMMGX-OAGGEKHMSA-N 2 0 356.511 -0.029 20 0 FBADRP CCNS(=O)(=O)CCNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875264389 661518292 /nfs/dbraw/zinc/51/82/92/661518292.db2.gz ZKFOIJMYYUYLPH-ZIAGYGMSSA-N 2 0 363.528 -0.694 20 0 FBADRP COC[C@@H](NC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)C1CC1 ZINC000875266626 661518544 /nfs/dbraw/zinc/51/85/44/661518544.db2.gz AWQIZZWIAXTPRS-BZUAXINKSA-N 2 0 354.495 -0.275 20 0 FBADRP COC[C@H](NC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)C1CC1 ZINC000875266627 661518590 /nfs/dbraw/zinc/51/85/90/661518590.db2.gz AWQIZZWIAXTPRS-OAGGEKHMSA-N 2 0 354.495 -0.275 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCOCC2)C[C@H]1C[NH+](C)C ZINC000875268542 661518646 /nfs/dbraw/zinc/51/86/46/661518646.db2.gz ASLCPGKYDMAGMU-BZUAXINKSA-N 2 0 354.495 -0.131 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCOCC2)C[C@H]1C[NH+](C)C ZINC000875268543 661518573 /nfs/dbraw/zinc/51/85/73/661518573.db2.gz ASLCPGKYDMAGMU-OAGGEKHMSA-N 2 0 354.495 -0.131 20 0 FBADRP CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000875271495 661518671 /nfs/dbraw/zinc/51/86/71/661518671.db2.gz KATVZHJAKZYAPK-INIZCTEOSA-N 2 0 353.511 -0.014 20 0 FBADRP CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000875271496 661518615 /nfs/dbraw/zinc/51/86/15/661518615.db2.gz KATVZHJAKZYAPK-MRXNPFEDSA-N 2 0 353.511 -0.014 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875271742 661518531 /nfs/dbraw/zinc/51/85/31/661518531.db2.gz MSQZTKFCBAREDO-BRWVUGGUSA-N 3 0 354.543 -0.387 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875271743 661518602 /nfs/dbraw/zinc/51/86/02/661518602.db2.gz MSQZTKFCBAREDO-ZACQAIPSSA-N 3 0 354.543 -0.387 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)NCCN2C(=O)CCC2=O)C[C@H]1C[NH+](C)C ZINC000875288284 661518979 /nfs/dbraw/zinc/51/89/79/661518979.db2.gz RQTBTCFXXSFLHJ-ZIAGYGMSSA-N 2 0 353.467 -0.484 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)NCc2nnnn2C2CC2)C[C@H]1C[NH+](C)C ZINC000875321568 661519311 /nfs/dbraw/zinc/51/93/11/661519311.db2.gz CCCFFXOLHSANJW-CHWSQXEVSA-N 2 0 350.471 -0.111 20 0 FBADRP COC1(CNC(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCC1 ZINC000875361317 661520186 /nfs/dbraw/zinc/52/01/86/661520186.db2.gz SYEBKUMOPHSYJI-HUUCEWRRSA-N 2 0 354.495 -0.131 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NCCCOC(F)F)C[C@H]1C[NH+](C)C ZINC000875375635 661520370 /nfs/dbraw/zinc/52/03/70/661520370.db2.gz DRDJUTDQWXHFKE-CHWSQXEVSA-N 2 0 364.437 -0.070 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)C[C@H]1C[NH+](C)C ZINC000875379353 661520634 /nfs/dbraw/zinc/52/06/34/661520634.db2.gz MSCSQQUPMUMBSK-APIJFGDWSA-N 2 0 355.483 -0.600 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@H]2CC[C@H](C(N)=O)O2)C[C@H]1C[NH+](C)C ZINC000875379354 661520616 /nfs/dbraw/zinc/52/06/16/661520616.db2.gz MSCSQQUPMUMBSK-KBUPBQIOSA-N 2 0 355.483 -0.600 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)C[C@H]1C[NH+](C)C ZINC000875379355 661520758 /nfs/dbraw/zinc/52/07/58/661520758.db2.gz MSCSQQUPMUMBSK-KBXIAJHMSA-N 2 0 355.483 -0.600 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1C[NH+](C)C ZINC000875379356 661520802 /nfs/dbraw/zinc/52/08/02/661520802.db2.gz MSCSQQUPMUMBSK-TUVASFSCSA-N 2 0 355.483 -0.600 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@@H]2CCCS2(=O)=O)C[C@H]1C[NH+](C)C ZINC000875387602 661520658 /nfs/dbraw/zinc/52/06/58/661520658.db2.gz CSNRJMKRCVYJFX-KFWWJZLASA-N 2 0 360.524 -0.056 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@H]2CCCS2(=O)=O)C[C@H]1C[NH+](C)C ZINC000875387604 661520775 /nfs/dbraw/zinc/52/07/75/661520775.db2.gz CSNRJMKRCVYJFX-RBSFLKMASA-N 2 0 360.524 -0.056 20 0 FBADRP C[C@@H]1CC[C@@H](CNC(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)O1 ZINC000875404155 661521075 /nfs/dbraw/zinc/52/10/75/661521075.db2.gz VOWAKIDCQMWQMZ-FPCVCCKLSA-N 2 0 354.495 -0.132 20 0 FBADRP C[C@H]1CC[C@@H](CNC(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)O1 ZINC000875404156 661521161 /nfs/dbraw/zinc/52/11/61/661521161.db2.gz VOWAKIDCQMWQMZ-JJXSEGSLSA-N 2 0 354.495 -0.132 20 0 FBADRP C[C@@H]1CC[C@H](CNC(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)O1 ZINC000875404157 661521318 /nfs/dbraw/zinc/52/13/18/661521318.db2.gz VOWAKIDCQMWQMZ-KLHDSHLOSA-N 2 0 354.495 -0.132 20 0 FBADRP C[C@H]1CC[C@H](CNC(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)O1 ZINC000875404158 661521019 /nfs/dbraw/zinc/52/10/19/661521019.db2.gz VOWAKIDCQMWQMZ-ZJIFWQFVSA-N 2 0 354.495 -0.132 20 0 FBADRP COCC[C@H](C)CNC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875407168 661521346 /nfs/dbraw/zinc/52/13/46/661521346.db2.gz KGQCFYLZFKPGLU-ARFHVFGLSA-N 2 0 356.511 -0.027 20 0 FBADRP COCC[C@@H](C)CNC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875407169 661521120 /nfs/dbraw/zinc/52/11/20/661521120.db2.gz KGQCFYLZFKPGLU-BZUAXINKSA-N 2 0 356.511 -0.027 20 0 FBADRP CC[C@@H]1OCC[C@H]1NC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875408056 661521322 /nfs/dbraw/zinc/52/13/22/661521322.db2.gz OAHBLCQQHHQDSX-FPCVCCKLSA-N 2 0 354.495 -0.132 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@H]1C[NH+](C)C ZINC000875440033 661521739 /nfs/dbraw/zinc/52/17/39/661521739.db2.gz STPLAUQTYWULIH-QCODTGAPSA-N 2 0 352.479 -0.380 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)N[C@H]2CCCS(=O)(=O)C2)C[C@H]1C[NH+](C)C ZINC000875453808 661522149 /nfs/dbraw/zinc/52/21/49/661522149.db2.gz QZPPTIZNFYLZKP-KFWWJZLASA-N 2 0 360.524 -0.056 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)N[C@@H]2CCCS(=O)(=O)C2)C[C@H]1C[NH+](C)C ZINC000875453809 661521947 /nfs/dbraw/zinc/52/19/47/661521947.db2.gz QZPPTIZNFYLZKP-RBSFLKMASA-N 2 0 360.524 -0.056 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)NCC(=O)N2CCOCC2)C[C@H]1C[NH+](C)C ZINC000875462366 661522101 /nfs/dbraw/zinc/52/21/01/661522101.db2.gz VGZUNSFAIDGWRM-HUUCEWRRSA-N 2 0 355.483 -0.774 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)NCC2(S(C)(=O)=O)CC2)C[C@H]1C[NH+](C)C ZINC000875547084 661522871 /nfs/dbraw/zinc/52/28/71/661522871.db2.gz QGKMIFIXLZOKHA-ZIAGYGMSSA-N 2 0 360.524 -0.056 20 0 FBADRP CN(C)S(=O)(=O)CCNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875608825 661524435 /nfs/dbraw/zinc/52/44/35/661524435.db2.gz BWWPJFGODBPKBP-ZIAGYGMSSA-N 2 0 363.528 -0.741 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)NCCS(=O)(=O)C2CC2)C[C@H]1C[NH+](C)C ZINC000875669976 661524904 /nfs/dbraw/zinc/52/49/04/661524904.db2.gz NZJDZICCMIIBLJ-ZIAGYGMSSA-N 2 0 360.524 -0.056 20 0 FBADRP CN1C(=O)CC[C@H](NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1=O ZINC000875682306 661524834 /nfs/dbraw/zinc/52/48/34/661524834.db2.gz BYZIARMSNQYPHL-MCIONIFRSA-N 2 0 353.467 -0.485 20 0 FBADRP CN1C(=O)CC[C@@H](NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1=O ZINC000875682307 661524989 /nfs/dbraw/zinc/52/49/89/661524989.db2.gz BYZIARMSNQYPHL-MGPQQGTHSA-N 2 0 353.467 -0.485 20 0 FBADRP C[NH+](C)C1(C)CCC(NC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000875725935 661525147 /nfs/dbraw/zinc/52/51/47/661525147.db2.gz CIEHICAPHUDFGA-QRHJNKNDSA-N 2 0 352.479 -0.357 20 0 FBADRP C[C@@H]1[C@H](NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCS1(=O)=O ZINC000875867686 661526597 /nfs/dbraw/zinc/52/65/97/661526597.db2.gz WNRKTHCYWSGTBG-KBUPBQIOSA-N 2 0 360.524 -0.057 20 0 FBADRP CNS(=O)(=O)CCCNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000876024965 661527332 /nfs/dbraw/zinc/52/73/32/661527332.db2.gz NKJYQWRLHRAPRP-ZIAGYGMSSA-N 2 0 363.528 -0.694 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@]12COC(=O)N1CCOC2 ZINC000876115564 661527620 /nfs/dbraw/zinc/52/76/20/661527620.db2.gz LTKRHZNCOVFFSC-INIZCTEOSA-N 2 0 357.455 -0.658 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@@]12COC(=O)N1CCOC2 ZINC000876115565 661527680 /nfs/dbraw/zinc/52/76/80/661527680.db2.gz LTKRHZNCOVFFSC-MRXNPFEDSA-N 2 0 357.455 -0.658 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCC(C)(C)CS(N)(=O)=O ZINC000876219766 661531182 /nfs/dbraw/zinc/53/11/82/661531182.db2.gz VKIBOJQMQNQHHH-UHFFFAOYSA-N 2 0 351.517 -0.564 20 0 FBADRP CN(C)c1n[nH]c(CNC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)n1 ZINC000876446780 661531638 /nfs/dbraw/zinc/53/16/38/661531638.db2.gz AJRZFDSZYARUIF-CHWSQXEVSA-N 2 0 352.487 -0.249 20 0 FBADRP COC[C@]1(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C[NH2+]CCO1 ZINC000876750016 661536512 /nfs/dbraw/zinc/53/65/12/661536512.db2.gz SGYIFVKGZOZHJZ-PBHICJAKSA-N 2 0 356.467 -0.950 20 0 FBADRP COC[C@@]1(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C[NH2+]CCO1 ZINC000876750018 661536324 /nfs/dbraw/zinc/53/63/24/661536324.db2.gz SGYIFVKGZOZHJZ-RHSMWYFYSA-N 2 0 356.467 -0.950 20 0 FBADRP COC[C@@]1(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C[NH2+]CCO1 ZINC000876750022 661536304 /nfs/dbraw/zinc/53/63/04/661536304.db2.gz SGYIFVKGZOZHJZ-WMLDXEAASA-N 2 0 356.467 -0.950 20 0 FBADRP COC[C@]1(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C[NH2+]CCO1 ZINC000876750026 661536104 /nfs/dbraw/zinc/53/61/04/661536104.db2.gz SGYIFVKGZOZHJZ-YOEHRIQHSA-N 2 0 356.467 -0.950 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@]2(COC)C[NH2+]CCO2)CC1 ZINC000876752144 661536363 /nfs/dbraw/zinc/53/63/63/661536363.db2.gz HTEXWPMKGBWMER-KRWDZBQOSA-N 2 0 356.467 -0.996 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@]2(COC)C[NH2+]CCO2)CC1 ZINC000876752145 661536171 /nfs/dbraw/zinc/53/61/71/661536171.db2.gz HTEXWPMKGBWMER-QGZVFWFLSA-N 2 0 356.467 -0.996 20 0 FBADRP COC[C@]1(C(=O)N2CCN(c3cc(OC)cc[nH+]3)CC2)C[NH2+]CCO1 ZINC000876754399 661536736 /nfs/dbraw/zinc/53/67/36/661536736.db2.gz NVUXTHFMXOLVLM-KRWDZBQOSA-N 2 0 350.419 -0.256 20 0 FBADRP COC[C@@]1(C(=O)N2CCN(c3cc(OC)cc[nH+]3)CC2)C[NH2+]CCO1 ZINC000876754401 661536722 /nfs/dbraw/zinc/53/67/22/661536722.db2.gz NVUXTHFMXOLVLM-QGZVFWFLSA-N 2 0 350.419 -0.256 20 0 FBADRP C[NH+](C)C[C@H](N)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000876849222 661537679 /nfs/dbraw/zinc/53/76/79/661537679.db2.gz XXKYQXSCQWMMIC-INIZCTEOSA-N 2 0 353.511 -0.284 20 0 FBADRP COC[C@@]1(C(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)C[NH2+]CCO1 ZINC000876876173 661538047 /nfs/dbraw/zinc/53/80/47/661538047.db2.gz ABDXPIPTMYZCBR-GOSISDBHSA-N 2 0 354.495 -0.523 20 0 FBADRP COC[C@]1(C(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)C[NH2+]CCO1 ZINC000876876174 661538080 /nfs/dbraw/zinc/53/80/80/661538080.db2.gz ABDXPIPTMYZCBR-SFHVURJKSA-N 2 0 354.495 -0.523 20 0 FBADRP COC[C@]1(C(=O)NCCC[NH+]2CCC(C(=O)OC)CC2)C[NH2+]CCO1 ZINC000876879458 661538027 /nfs/dbraw/zinc/53/80/27/661538027.db2.gz AFKVYPQZHWLOFX-KRWDZBQOSA-N 2 0 357.451 -0.617 20 0 FBADRP COC[C@@]1(C(=O)NCCC[NH+]2CCC(C(=O)OC)CC2)C[NH2+]CCO1 ZINC000876879459 661537932 /nfs/dbraw/zinc/53/79/32/661537932.db2.gz AFKVYPQZHWLOFX-QGZVFWFLSA-N 2 0 357.451 -0.617 20 0 FBADRP COC[C@@]1(C(=O)NCC2CC[NH+](C3CCOCC3)CC2)C[NH2+]CCO1 ZINC000876957583 661539015 /nfs/dbraw/zinc/53/90/15/661539015.db2.gz CSYJROGMQUEUFQ-GOSISDBHSA-N 2 0 355.479 -0.001 20 0 FBADRP COC[C@]1(C(=O)NCC2CC[NH+](C3CCOCC3)CC2)C[NH2+]CCO1 ZINC000876957584 661539060 /nfs/dbraw/zinc/53/90/60/661539060.db2.gz CSYJROGMQUEUFQ-SFHVURJKSA-N 2 0 355.479 -0.001 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C[C@H]1C[NH+](C)C ZINC000877143953 661540236 /nfs/dbraw/zinc/54/02/36/661540236.db2.gz ZMMCTFWXCJBLCG-BZUAXINKSA-N 3 0 353.511 -0.558 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C[C@H]1C[NH+](C)C ZINC000877143954 661540175 /nfs/dbraw/zinc/54/01/75/661540175.db2.gz ZMMCTFWXCJBLCG-OAGGEKHMSA-N 3 0 353.511 -0.558 20 0 FBADRP C[NH+](C)CCN1C[C@H](C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1=O ZINC000877330532 661540899 /nfs/dbraw/zinc/54/08/99/661540899.db2.gz FEUSIYCYHWXPKC-CABCVRRESA-N 2 0 352.479 -0.329 20 0 FBADRP C[NH+](C)CCN1C[C@@H](C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1=O ZINC000877330534 661540921 /nfs/dbraw/zinc/54/09/21/661540921.db2.gz FEUSIYCYHWXPKC-GJZGRUSLSA-N 2 0 352.479 -0.329 20 0 FBADRP C[NH+](C)CCN1C[C@H](C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC1=O ZINC000877330536 661540909 /nfs/dbraw/zinc/54/09/09/661540909.db2.gz FEUSIYCYHWXPKC-HUUCEWRRSA-N 2 0 352.479 -0.329 20 0 FBADRP C[NH+](C)CCN1C[C@@H](C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC1=O ZINC000877330538 661540894 /nfs/dbraw/zinc/54/08/94/661540894.db2.gz FEUSIYCYHWXPKC-LSDHHAIUSA-N 2 0 352.479 -0.329 20 0 FBADRP CS(=O)(=O)C1(C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)CC[NH2+]CC1 ZINC000877342565 661541140 /nfs/dbraw/zinc/54/11/40/661541140.db2.gz CUIDOIBWLZSBEA-HNNXBMFYSA-N 2 0 351.472 -0.016 20 0 FBADRP CS(=O)(=O)C1(C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)CC[NH2+]CC1 ZINC000877342566 661541084 /nfs/dbraw/zinc/54/10/84/661541084.db2.gz CUIDOIBWLZSBEA-OAHLLOKOSA-N 2 0 351.472 -0.016 20 0 FBADRP C[NH+](C)CCN1C[C@H](C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1=O ZINC000877360194 661541243 /nfs/dbraw/zinc/54/12/43/661541243.db2.gz LIFLAQVHESJCJS-GRYCIOLGSA-N 2 0 350.385 -0.008 20 0 FBADRP C[NH+](C)CCN1C[C@H](C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1=O ZINC000877360195 661541110 /nfs/dbraw/zinc/54/11/10/661541110.db2.gz LIFLAQVHESJCJS-IJLUTSLNSA-N 2 0 350.385 -0.008 20 0 FBADRP C[NH+](C)CCN1C[C@H](C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)CC1=O ZINC000877360196 661541168 /nfs/dbraw/zinc/54/11/68/661541168.db2.gz LIFLAQVHESJCJS-UTUOFQBUSA-N 2 0 350.385 -0.008 20 0 FBADRP C[NH+](C)CCN1C[C@H](C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1=O ZINC000877360197 661541298 /nfs/dbraw/zinc/54/12/98/661541298.db2.gz LIFLAQVHESJCJS-WOPDTQHZSA-N 2 0 350.385 -0.008 20 0 FBADRP C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000877928311 661542766 /nfs/dbraw/zinc/54/27/66/661542766.db2.gz RPCDDIZHCNIRCI-HNNXBMFYSA-N 2 0 352.479 -0.232 20 0 FBADRP C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC000877928312 661542802 /nfs/dbraw/zinc/54/28/02/661542802.db2.gz RPCDDIZHCNIRCI-OAHLLOKOSA-N 2 0 352.479 -0.232 20 0 FBADRP C[NH+]1CCC(NC(=O)CN2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000878048872 661543855 /nfs/dbraw/zinc/54/38/55/661543855.db2.gz FNYXVAKNCDBJGT-UHFFFAOYSA-N 2 0 351.495 -0.563 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(CC(=O)NC2CC[NH+](C)CC2)CC1 ZINC000878054363 661543867 /nfs/dbraw/zinc/54/38/67/661543867.db2.gz FLBLGRGFUOCKFL-UHFFFAOYSA-N 2 0 353.511 -0.317 20 0 FBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(CC(=O)NC2CC[NH+](C)CC2)CC1 ZINC000878199160 661544455 /nfs/dbraw/zinc/54/44/55/661544455.db2.gz UMZYFHGYDOSIHW-INIZCTEOSA-N 2 0 351.495 -0.565 20 0 FBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(CC(=O)NC2CC[NH+](C)CC2)CC1 ZINC000878199161 661544386 /nfs/dbraw/zinc/54/43/86/661544386.db2.gz UMZYFHGYDOSIHW-MRXNPFEDSA-N 2 0 351.495 -0.565 20 0 FBADRP C[NH+]1CCC(NC(=O)CN2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)CC1 ZINC000878292896 661545065 /nfs/dbraw/zinc/54/50/65/661545065.db2.gz TZPXXEMENGIWED-INIZCTEOSA-N 2 0 351.495 -0.389 20 0 FBADRP C[NH+]1CCC(NC(=O)CN2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)CC1 ZINC000878292897 661545035 /nfs/dbraw/zinc/54/50/35/661545035.db2.gz TZPXXEMENGIWED-MRXNPFEDSA-N 2 0 351.495 -0.389 20 0 FBADRP COC(=O)C1=NOC2(C1)CC[NH+](CC(=O)NC1CC[NH+](C)CC1)CC2 ZINC000878402548 661545498 /nfs/dbraw/zinc/54/54/98/661545498.db2.gz GMPHTSYUBPZLQD-UHFFFAOYSA-N 2 0 352.435 -0.019 20 0 FBADRP CN1CC[N@H+](CC[Si](C)(C)CC[NH+]2CCN(C)C[C@H]2CO)[C@@H](CO)C1 ZINC000879001443 661548713 /nfs/dbraw/zinc/54/87/13/661548713.db2.gz XGMGLACGCVJFEX-HDICACEKSA-N 2 0 372.630 -0.089 20 0 FBADRP CN1CC[NH+](CC[Si](C)(C)CC[N@H+]2CCN(C)C[C@@H]2CO)[C@@H](CO)C1 ZINC000879001444 661548736 /nfs/dbraw/zinc/54/87/36/661548736.db2.gz XGMGLACGCVJFEX-QZTJIDSGSA-N 2 0 372.630 -0.089 20 0 FBADRP CN1CC[NH+](CC[Si](C)(C)CC[N@H+]2CCN(C)C[C@H]2CO)[C@H](CO)C1 ZINC000879001445 661548614 /nfs/dbraw/zinc/54/86/14/661548614.db2.gz XGMGLACGCVJFEX-ROUUACIJSA-N 2 0 372.630 -0.089 20 0 FBADRP COCC[N@@H+](CC(=O)N1CCN(C(C)=O)CC1)CC1CC[NH+](C)CC1 ZINC000879122237 661549475 /nfs/dbraw/zinc/54/94/75/661549475.db2.gz JTSDBMHTCITHSK-UHFFFAOYSA-N 2 0 354.495 -0.033 20 0 FBADRP COCC[N@H+](CCNS(=O)(=O)c1cnn(C)c1)CC1CC[NH+](C)CC1 ZINC000879124847 661549532 /nfs/dbraw/zinc/54/95/32/661549532.db2.gz GFGGKDVGABREFQ-UHFFFAOYSA-N 2 0 373.523 -0.011 20 0 FBADRP O[C@H](CN1C[C@@H]2C[C@H]1CN2C[C@H](O)C[NH+]1CCCC1)C[NH+]1CCCC1 ZINC000879353313 661550470 /nfs/dbraw/zinc/55/04/70/661550470.db2.gz HAIMHRXXNBVAQU-CADBVGFASA-N 2 0 352.523 -0.342 20 0 FBADRP O[C@@H](CN1C[C@@H]2C[C@H]1CN2C[C@H](O)C[NH+]1CCCC1)C[NH+]1CCCC1 ZINC000879353318 661550346 /nfs/dbraw/zinc/55/03/46/661550346.db2.gz HAIMHRXXNBVAQU-INDMIFKZSA-N 2 0 352.523 -0.342 20 0 FBADRP O[C@H](CN1C[C@@H]2C[C@H]1CN2C[C@@H](O)C[NH+]1CCCC1)C[NH+]1CCCC1 ZINC000879353320 661550369 /nfs/dbraw/zinc/55/03/69/661550369.db2.gz HAIMHRXXNBVAQU-VJANTYMQSA-N 2 0 352.523 -0.342 20 0 FBADRP C[Si](C)(CC[NH+]1C[C@H](CO)[C@H](CO)C1)CC[N@@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000879696626 661552491 /nfs/dbraw/zinc/55/24/91/661552491.db2.gz KDPXSMPOFDGBIU-USTZCAOPSA-N 2 0 374.598 -0.240 20 0 FBADRP OC[C@H]1C[NH+]2CCC[C@H]2CN1CCCN1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC000880072255 661555010 /nfs/dbraw/zinc/55/50/10/661555010.db2.gz YLVHHGLHKCGLGO-INDMIFKZSA-N 2 0 352.523 -0.342 20 0 FBADRP COCC[N@H+](C)C[C@H](O)CN1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000880254193 661557021 /nfs/dbraw/zinc/55/70/21/661557021.db2.gz OOBMCMWELQFJIX-INIZCTEOSA-N 2 0 356.511 -0.269 20 0 FBADRP COCC[N@H+](C)C[C@@H](O)CN1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000880254197 661557111 /nfs/dbraw/zinc/55/71/11/661557111.db2.gz OOBMCMWELQFJIX-MRXNPFEDSA-N 2 0 356.511 -0.269 20 0 FBADRP COC(=O)[C@@]1(O)CC[NH+](CCCCC[N@H+]2CC[C@@](O)(C(=O)OC)C2)C1 ZINC000880564509 661558980 /nfs/dbraw/zinc/55/89/80/661558980.db2.gz OCQUWWQQVFWFDZ-CALCHBBNSA-N 2 0 358.435 -0.624 20 0 FBADRP COC(=O)[C@@]1(O)CC[NH+](CCCCC[N@H+]2CC[C@](O)(C(=O)OC)C2)C1 ZINC000880564512 661558622 /nfs/dbraw/zinc/55/86/22/661558622.db2.gz OCQUWWQQVFWFDZ-IAGOWNOFSA-N 2 0 358.435 -0.624 20 0 FBADRP COC(=O)[C@]1(O)CC[NH+](CCCCC[N@H+]2CC[C@@](O)(C(=O)OC)C2)C1 ZINC000880564514 661558778 /nfs/dbraw/zinc/55/87/78/661558778.db2.gz OCQUWWQQVFWFDZ-IRXDYDNUSA-N 2 0 358.435 -0.624 20 0 FBADRP COC(=O)c1ccn(CC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)n1 ZINC000881019326 661560372 /nfs/dbraw/zinc/56/03/72/661560372.db2.gz IZQCDAUWXANJOZ-ZIAGYGMSSA-N 2 0 351.451 -0.133 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)CN2CCCCS2(=O)=O)C[C@H]1C[NH+](C)C ZINC000881020455 661560336 /nfs/dbraw/zinc/56/03/36/661560336.db2.gz LWPASEAAHYSBCZ-HUUCEWRRSA-N 2 0 360.524 -0.390 20 0 FBADRP CN(C)[S@](C)(=O)=NS(=O)(=O)N(CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000882082571 661567483 /nfs/dbraw/zinc/56/74/83/661567483.db2.gz RSAHDAPYJYXPPF-JOCHJYFZSA-N 2 0 369.557 -0.237 20 0 FBADRP CN(C)[S@@](C)(=O)=NS(=O)(=O)N(CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000882082572 661567521 /nfs/dbraw/zinc/56/75/21/661567521.db2.gz RSAHDAPYJYXPPF-QFIPXVFZSA-N 2 0 369.557 -0.237 20 0 FBADRP COC[C@@H](CS(=O)(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)OC ZINC000882470941 661571254 /nfs/dbraw/zinc/57/12/54/661571254.db2.gz DVCGKWRBUUFNOQ-KFWWJZLASA-N 2 0 351.513 -0.351 20 0 FBADRP COC[C@H](CS(=O)(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)OC ZINC000882470942 661571312 /nfs/dbraw/zinc/57/13/12/661571312.db2.gz DVCGKWRBUUFNOQ-RBSFLKMASA-N 2 0 351.513 -0.351 20 0 FBADRP CN(C)[S@](C)(=O)=NS(=O)(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000882471091 661571435 /nfs/dbraw/zinc/57/14/35/661571435.db2.gz IVOIXDMYEDEUQR-GIYNXVAASA-N 2 0 369.557 -0.523 20 0 FBADRP CN(C)[S@@](C)(=O)=NS(=O)(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000882471092 661571379 /nfs/dbraw/zinc/57/13/79/661571379.db2.gz IVOIXDMYEDEUQR-VJBOLBCHSA-N 2 0 369.557 -0.523 20 0 FBADRP COCC(COC)S(=O)(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000882471550 661571342 /nfs/dbraw/zinc/57/13/42/661571342.db2.gz VZTMLTZEEJIKIH-ZIAGYGMSSA-N 2 0 351.513 -0.351 20 0 FBADRP CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2CC[N@H+]2CC)O1 ZINC000882495631 661571613 /nfs/dbraw/zinc/57/16/13/661571613.db2.gz VJYZDIYSLZCVMD-FPCVCCKLSA-N 2 0 352.479 -0.045 20 0 FBADRP CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2CC[N@H+]2CC)O1 ZINC000882495632 661571633 /nfs/dbraw/zinc/57/16/33/661571633.db2.gz VJYZDIYSLZCVMD-GEEKYZPCSA-N 2 0 352.479 -0.045 20 0 FBADRP CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[C@@H](C(=O)NC[C@H]2CC[N@H+]2CC)O1 ZINC000882495633 661571690 /nfs/dbraw/zinc/57/16/90/661571690.db2.gz VJYZDIYSLZCVMD-SYMSYNOKSA-N 2 0 352.479 -0.045 20 0 FBADRP CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H]2CC[N@H+]2CC)O1 ZINC000882495634 661571754 /nfs/dbraw/zinc/57/17/54/661571754.db2.gz VJYZDIYSLZCVMD-YHUYYLMFSA-N 2 0 352.479 -0.045 20 0 FBADRP CNS(=O)(=O)c1ccc(N2CC[NH+](CCN3CC[NH2+]CC3)CC2)cc1 ZINC000883447598 661577191 /nfs/dbraw/zinc/57/71/91/661577191.db2.gz GRLZTVSQJZMLHO-UHFFFAOYSA-N 2 0 367.519 -0.378 20 0 FBADRP NC(=O)C1(N2CCCCC2)CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000883447851 661577510 /nfs/dbraw/zinc/57/75/10/661577510.db2.gz NGZBCMHZTKDJQD-UHFFFAOYSA-N 2 0 351.495 -0.386 20 0 FBADRP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000883645289 661578881 /nfs/dbraw/zinc/57/88/81/661578881.db2.gz HCXMKXIRYQRKCK-MRXNPFEDSA-N 2 0 354.495 -0.108 20 0 FBADRP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000883645528 661579002 /nfs/dbraw/zinc/57/90/02/661579002.db2.gz NQMXUTDLSBEGPF-MRXNPFEDSA-N 2 0 353.511 -0.317 20 0 FBADRP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C ZINC000883646120 661578968 /nfs/dbraw/zinc/57/89/68/661578968.db2.gz HQAXADSRSSQJKE-MRXNPFEDSA-N 2 0 355.527 -0.071 20 0 FBADRP CN1CCC([NH+]2CCC(NC(=O)NCCN3CCNC3=O)CC2)CC1 ZINC000884124289 661585457 /nfs/dbraw/zinc/58/54/57/661585457.db2.gz SZHJBGRDEYJUNC-UHFFFAOYSA-N 2 0 352.483 -0.131 20 0 FBADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000884361405 661589474 /nfs/dbraw/zinc/58/94/74/661589474.db2.gz RUGNCJPXBWNSPV-KFWWJZLASA-N 2 0 352.479 -0.058 20 0 FBADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000884361406 661589433 /nfs/dbraw/zinc/58/94/33/661589433.db2.gz RUGNCJPXBWNSPV-RBSFLKMASA-N 2 0 352.479 -0.058 20 0 FBADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000884361407 661589346 /nfs/dbraw/zinc/58/93/46/661589346.db2.gz RUGNCJPXBWNSPV-RRFJBIMHSA-N 2 0 352.479 -0.058 20 0 FBADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000884361408 661589537 /nfs/dbraw/zinc/58/95/37/661589537.db2.gz RUGNCJPXBWNSPV-ZNMIVQPWSA-N 2 0 352.479 -0.058 20 0 FBADRP O=C(CN1CCCCS1(=O)=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000884463892 661590214 /nfs/dbraw/zinc/59/02/14/661590214.db2.gz VKJPXNKSADHFPA-UHFFFAOYSA-N 2 0 353.448 -0.145 20 0 FBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)CC1(C)C ZINC000884507368 661590613 /nfs/dbraw/zinc/59/06/13/661590613.db2.gz BEBCOFZCQNTLDK-CABCVRRESA-N 2 0 351.495 -0.519 20 0 FBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)CC1(C)C ZINC000884507369 661590525 /nfs/dbraw/zinc/59/05/25/661590525.db2.gz BEBCOFZCQNTLDK-GJZGRUSLSA-N 2 0 351.495 -0.519 20 0 FBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)CC1(C)C ZINC000884507370 661590517 /nfs/dbraw/zinc/59/05/17/661590517.db2.gz BEBCOFZCQNTLDK-HUUCEWRRSA-N 2 0 351.495 -0.519 20 0 FBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)CC1(C)C ZINC000884507371 661590641 /nfs/dbraw/zinc/59/06/41/661590641.db2.gz BEBCOFZCQNTLDK-LSDHHAIUSA-N 2 0 351.495 -0.519 20 0 FBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC1(C)C ZINC000884507393 661590557 /nfs/dbraw/zinc/59/05/57/661590557.db2.gz BRAMTFSJCZOIGT-KBXCAEBGSA-N 2 0 351.495 -0.804 20 0 FBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1(C)C ZINC000884507690 661590651 /nfs/dbraw/zinc/59/06/51/661590651.db2.gz KCEVBIBNEPWFJG-SHTZXODSSA-N 2 0 353.511 -0.238 20 0 FBADRP CCC1([NH3+])CCN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000884507849 661590954 /nfs/dbraw/zinc/59/09/54/661590954.db2.gz ODMUGBLFXJJLFM-UHFFFAOYSA-N 2 0 353.511 -0.142 20 0 FBADRP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000884508265 661590843 /nfs/dbraw/zinc/59/08/43/661590843.db2.gz ZBDKJMNBLUNLGS-OAHLLOKOSA-N 2 0 353.511 -0.271 20 0 FBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N2CCCCC[C@H]([NH3+])C2)CC1(C)C ZINC000884508281 661590856 /nfs/dbraw/zinc/59/08/56/661590856.db2.gz ZKNOJCHCZBQRMB-HNNXBMFYSA-N 2 0 353.511 -0.142 20 0 FBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N2CCCCC[C@@H]([NH3+])C2)CC1(C)C ZINC000884508282 661590922 /nfs/dbraw/zinc/59/09/22/661590922.db2.gz ZKNOJCHCZBQRMB-OAHLLOKOSA-N 2 0 353.511 -0.142 20 0 FBADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000884516107 661590811 /nfs/dbraw/zinc/59/08/11/661590811.db2.gz BGWRBKWXYWWOQL-SHTZXODSSA-N 2 0 353.511 -0.238 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)C[C@H]1C[NH3+] ZINC000884516191 661590966 /nfs/dbraw/zinc/59/09/66/661590966.db2.gz DYELDBDSAQIRJY-FMKPAKJESA-N 2 0 352.479 -0.201 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C[C@H]1C[NH3+] ZINC000884516192 661590944 /nfs/dbraw/zinc/59/09/44/661590944.db2.gz DYELDBDSAQIRJY-IIAWOOMASA-N 2 0 352.479 -0.201 20 0 FBADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)CC1 ZINC000884516312 661590981 /nfs/dbraw/zinc/59/09/81/661590981.db2.gz HPGDWYMUOYYSBK-CVEARBPZSA-N 2 0 351.495 -0.519 20 0 FBADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)CC1 ZINC000884516313 661590868 /nfs/dbraw/zinc/59/08/68/661590868.db2.gz HPGDWYMUOYYSBK-HOTGVXAUSA-N 2 0 351.495 -0.519 20 0 FBADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC000884516314 661590907 /nfs/dbraw/zinc/59/09/07/661590907.db2.gz HPGDWYMUOYYSBK-HZPDHXFCSA-N 2 0 351.495 -0.519 20 0 FBADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC000884516315 661590961 /nfs/dbraw/zinc/59/09/61/661590961.db2.gz HPGDWYMUOYYSBK-JKSUJKDBSA-N 2 0 351.495 -0.519 20 0 FBADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC1 ZINC000884516650 661590750 /nfs/dbraw/zinc/59/07/50/661590750.db2.gz QAGVIDFNEOSTDG-KBXCAEBGSA-N 2 0 351.495 -0.804 20 0 FBADRP CCN(C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H]1CC[NH2+]C1 ZINC000884516692 661590822 /nfs/dbraw/zinc/59/08/22/661590822.db2.gz QYEGAHHBXKOCFE-CVEARBPZSA-N 2 0 352.479 -0.044 20 0 FBADRP CCN(C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H]1CC[NH2+]C1 ZINC000884516693 661590947 /nfs/dbraw/zinc/59/09/47/661590947.db2.gz QYEGAHHBXKOCFE-HOTGVXAUSA-N 2 0 352.479 -0.044 20 0 FBADRP CCN(C(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H]1CC[NH2+]C1 ZINC000884516694 661590951 /nfs/dbraw/zinc/59/09/51/661590951.db2.gz QYEGAHHBXKOCFE-HZPDHXFCSA-N 2 0 352.479 -0.044 20 0 FBADRP CCN(C(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@H]1CC[NH2+]C1 ZINC000884516695 661590787 /nfs/dbraw/zinc/59/07/87/661590787.db2.gz QYEGAHHBXKOCFE-JKSUJKDBSA-N 2 0 352.479 -0.044 20 0 FBADRP O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884516799 661590949 /nfs/dbraw/zinc/59/09/49/661590949.db2.gz USEZTXLUCXBOPP-OWCLPIDISA-N 2 0 350.463 -0.291 20 0 FBADRP O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884516800 661590916 /nfs/dbraw/zinc/59/09/16/661590916.db2.gz USEZTXLUCXBOPP-XHSDSOJGSA-N 2 0 350.463 -0.291 20 0 FBADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CCCCC[C@H]([NH3+])C2)CC1 ZINC000884516967 661590797 /nfs/dbraw/zinc/59/07/97/661590797.db2.gz ZEWITSTVZIRMAF-HNNXBMFYSA-N 2 0 353.511 -0.142 20 0 FBADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CCCCC[C@@H]([NH3+])C2)CC1 ZINC000884516968 661590967 /nfs/dbraw/zinc/59/09/67/661590967.db2.gz ZEWITSTVZIRMAF-OAHLLOKOSA-N 2 0 353.511 -0.142 20 0 FBADRP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000884517019 661590779 /nfs/dbraw/zinc/59/07/79/661590779.db2.gz ASDKUOIOEJSSKM-MRXNPFEDSA-N 2 0 353.511 -0.271 20 0 FBADRP CCC1([NH3+])CCN(C(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000884517688 661590891 /nfs/dbraw/zinc/59/08/91/661590891.db2.gz UMMLPGXCMKPSPU-UHFFFAOYSA-N 2 0 353.511 -0.142 20 0 FBADRP C[NH+](C)C1(CNC(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CCC1 ZINC000884529638 661590964 /nfs/dbraw/zinc/59/09/64/661590964.db2.gz SJTKGHGYKFEBCI-AWEZNQCLSA-N 2 0 352.479 -0.138 20 0 FBADRP C[NH+](C)C1(CNC(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CCC1 ZINC000884529639 661590936 /nfs/dbraw/zinc/59/09/36/661590936.db2.gz SJTKGHGYKFEBCI-CQSZACIVSA-N 2 0 352.479 -0.138 20 0 FBADRP [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000884531099 661591200 /nfs/dbraw/zinc/59/12/00/661591200.db2.gz CVWRTRMIDGZDIT-GDBMZVCRSA-N 2 0 352.479 -0.057 20 0 FBADRP [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000884531100 661591226 /nfs/dbraw/zinc/59/12/26/661591226.db2.gz CVWRTRMIDGZDIT-GOEBONIOSA-N 2 0 352.479 -0.057 20 0 FBADRP [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000884531101 661591335 /nfs/dbraw/zinc/59/13/35/661591335.db2.gz CVWRTRMIDGZDIT-HOCLYGCPSA-N 2 0 352.479 -0.057 20 0 FBADRP [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000884531102 661591266 /nfs/dbraw/zinc/59/12/66/661591266.db2.gz CVWRTRMIDGZDIT-ZBFHGGJFSA-N 2 0 352.479 -0.057 20 0 FBADRP O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884531207 661591156 /nfs/dbraw/zinc/59/11/56/661591156.db2.gz GQITWQSTECQZPJ-BMFZPTHFSA-N 2 0 350.463 -0.434 20 0 FBADRP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884531208 661591320 /nfs/dbraw/zinc/59/13/20/661591320.db2.gz GQITWQSTECQZPJ-CWRNSKLLSA-N 2 0 350.463 -0.434 20 0 FBADRP CN1CCC([NH+]2CCC(NC(=O)C(=O)NCCC(C)(C)[NH3+])CC2)CC1 ZINC000884542364 661591165 /nfs/dbraw/zinc/59/11/65/661591165.db2.gz BNWLOOGJUVXOQH-UHFFFAOYSA-N 2 0 353.511 -0.095 20 0 FBADRP CN1CCC([NH+]2CCC(NC(=O)C(=O)N3CCC[C@@H]3C[NH3+])CC2)CC1 ZINC000884542638 661591361 /nfs/dbraw/zinc/59/13/61/661591361.db2.gz JUCRERNLYUXZHC-MRXNPFEDSA-N 2 0 351.495 -0.389 20 0 FBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000884559702 661591669 /nfs/dbraw/zinc/59/16/69/661591669.db2.gz BNFOHOAHZKHKBE-FRRDWIJNSA-N 2 0 360.405 -0.673 20 0 FBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000884559703 661591563 /nfs/dbraw/zinc/59/15/63/661591563.db2.gz BNFOHOAHZKHKBE-JHJVBQTASA-N 2 0 360.405 -0.673 20 0 FBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000884559704 661591582 /nfs/dbraw/zinc/59/15/82/661591582.db2.gz BNFOHOAHZKHKBE-RWMBFGLXSA-N 2 0 360.405 -0.673 20 0 FBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000884559705 661591656 /nfs/dbraw/zinc/59/16/56/661591656.db2.gz BNFOHOAHZKHKBE-YNEHKIRRSA-N 2 0 360.405 -0.673 20 0 FBADRP CC1(C)CC[C@H](CNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)[NH2+]C1 ZINC000884559756 661591500 /nfs/dbraw/zinc/59/15/00/661591500.db2.gz DARQGKJNMZUMNB-ILXRZTDVSA-N 2 0 352.479 -0.140 20 0 FBADRP CC1(C)CC[C@H](CNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)[NH2+]C1 ZINC000884559757 661591627 /nfs/dbraw/zinc/59/16/27/661591627.db2.gz DARQGKJNMZUMNB-KFWWJZLASA-N 2 0 352.479 -0.140 20 0 FBADRP CC1(C)CC[C@H](CNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)[NH2+]C1 ZINC000884559758 661591588 /nfs/dbraw/zinc/59/15/88/661591588.db2.gz DARQGKJNMZUMNB-QLFBSQMISA-N 2 0 352.479 -0.140 20 0 FBADRP CC1(C)CC[C@H](CNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)[NH2+]C1 ZINC000884559759 661591638 /nfs/dbraw/zinc/59/16/38/661591638.db2.gz DARQGKJNMZUMNB-RBSFLKMASA-N 2 0 352.479 -0.140 20 0 FBADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N1CC[NH2+]CCC12CCC2 ZINC000884559912 661591573 /nfs/dbraw/zinc/59/15/73/661591573.db2.gz IUFCCFONKQFZSP-CABCVRRESA-N 2 0 350.463 -0.290 20 0 FBADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)N1CC[NH2+]CCC12CCC2 ZINC000884559913 661591676 /nfs/dbraw/zinc/59/16/76/661591676.db2.gz IUFCCFONKQFZSP-GJZGRUSLSA-N 2 0 350.463 -0.290 20 0 FBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N1CC[NH2+]CCC12CCC2 ZINC000884559914 661591649 /nfs/dbraw/zinc/59/16/49/661591649.db2.gz IUFCCFONKQFZSP-HUUCEWRRSA-N 2 0 350.463 -0.290 20 0 FBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)N1CC[NH2+]CCC12CCC2 ZINC000884559915 661591577 /nfs/dbraw/zinc/59/15/77/661591577.db2.gz IUFCCFONKQFZSP-LSDHHAIUSA-N 2 0 350.463 -0.290 20 0 FBADRP CC1(C)C[NH2+]CC[C@H](NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000884559995 661591595 /nfs/dbraw/zinc/59/15/95/661591595.db2.gz KVFWILVZCJZKGK-KKUMJFAQSA-N 2 0 352.479 -0.140 20 0 FBADRP CC1(C)C[NH2+]CC[C@H](NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000884559996 661591543 /nfs/dbraw/zinc/59/15/43/661591543.db2.gz KVFWILVZCJZKGK-RRFJBIMHSA-N 2 0 352.479 -0.140 20 0 FBADRP CC1(C)C[NH2+]CC[C@H](NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000884559997 661591605 /nfs/dbraw/zinc/59/16/05/661591605.db2.gz KVFWILVZCJZKGK-SOUVJXGZSA-N 2 0 352.479 -0.140 20 0 FBADRP CC1(C)C[NH2+]CC[C@H](NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000884559998 661591558 /nfs/dbraw/zinc/59/15/58/661591558.db2.gz KVFWILVZCJZKGK-ZNMIVQPWSA-N 2 0 352.479 -0.140 20 0 FBADRP O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000884560483 661591517 /nfs/dbraw/zinc/59/15/17/661591517.db2.gz YQUDMKWNRDSJAX-JKJDWNRSSA-N 2 0 350.463 -0.387 20 0 FBADRP O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000884560484 661591530 /nfs/dbraw/zinc/59/15/30/661591530.db2.gz YQUDMKWNRDSJAX-QRJUGERDSA-N 2 0 350.463 -0.387 20 0 FBADRP O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000884560485 661591619 /nfs/dbraw/zinc/59/16/19/661591619.db2.gz YQUDMKWNRDSJAX-XFIYOXNOSA-N 2 0 350.463 -0.387 20 0 FBADRP O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000884560486 661591921 /nfs/dbraw/zinc/59/19/21/661591921.db2.gz YQUDMKWNRDSJAX-YIDVYQOGSA-N 2 0 350.463 -0.387 20 0 FBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000884562494 661591838 /nfs/dbraw/zinc/59/18/38/661591838.db2.gz BUAPPJMSKXRBLB-GHMZBOCLSA-N 2 0 354.373 -0.724 20 0 FBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000884562495 661591911 /nfs/dbraw/zinc/59/19/11/661591911.db2.gz BUAPPJMSKXRBLB-MNOVXSKESA-N 2 0 354.373 -0.724 20 0 FBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000884562496 661591936 /nfs/dbraw/zinc/59/19/36/661591936.db2.gz BUAPPJMSKXRBLB-QWRGUYRKSA-N 2 0 354.373 -0.724 20 0 FBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000884562497 661591887 /nfs/dbraw/zinc/59/18/87/661591887.db2.gz BUAPPJMSKXRBLB-WDEREUQCSA-N 2 0 354.373 -0.724 20 0 FBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000884587193 661592205 /nfs/dbraw/zinc/59/22/05/661592205.db2.gz CFYZRGMXPPXEBC-NEPJUHHUSA-N 2 0 368.400 -0.334 20 0 FBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000884587194 661592242 /nfs/dbraw/zinc/59/22/42/661592242.db2.gz CFYZRGMXPPXEBC-NWDGAFQWSA-N 2 0 368.400 -0.334 20 0 FBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000884587195 661592089 /nfs/dbraw/zinc/59/20/89/661592089.db2.gz CFYZRGMXPPXEBC-RYUDHWBXSA-N 2 0 368.400 -0.334 20 0 FBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000884587196 661592178 /nfs/dbraw/zinc/59/21/78/661592178.db2.gz CFYZRGMXPPXEBC-VXGBXAGGSA-N 2 0 368.400 -0.334 20 0 FBADRP COCCC[N@H+](C)CCNC(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000884587302 661592114 /nfs/dbraw/zinc/59/21/14/661592114.db2.gz GDSGXUXYKGBIIM-GFCCVEGCSA-N 2 0 350.410 -0.568 20 0 FBADRP COCCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000884587303 661592248 /nfs/dbraw/zinc/59/22/48/661592248.db2.gz GDSGXUXYKGBIIM-LBPRGKRZSA-N 2 0 350.410 -0.568 20 0 FBADRP CCN(C(=O)C(=O)NCCCC[NH+]1CCN(CC)CC1)[C@H]1CC[NH2+]C1 ZINC000884597615 661592264 /nfs/dbraw/zinc/59/22/64/661592264.db2.gz FLDSRAVCENNIML-INIZCTEOSA-N 2 0 353.511 -0.269 20 0 FBADRP CCN(C(=O)C(=O)NCCCC[NH+]1CCN(CC)CC1)[C@@H]1CC[NH2+]C1 ZINC000884597616 661592251 /nfs/dbraw/zinc/59/22/51/661592251.db2.gz FLDSRAVCENNIML-MRXNPFEDSA-N 2 0 353.511 -0.269 20 0 FBADRP O=C(NCCCC[NH+]1CCOCC1)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884597674 661592143 /nfs/dbraw/zinc/59/21/43/661592143.db2.gz GQLZIHKMFMBZHA-MUJYYYPQSA-N 2 0 352.479 -0.138 20 0 FBADRP O=C(NCCCC[NH+]1CCOCC1)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000884597715 661592253 /nfs/dbraw/zinc/59/22/53/661592253.db2.gz HZSLSDGRCLMNME-CYBMUJFWSA-N 2 0 362.421 -0.424 20 0 FBADRP O=C(NCCCC[NH+]1CCOCC1)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000884597716 661592724 /nfs/dbraw/zinc/59/27/24/661592724.db2.gz HZSLSDGRCLMNME-ZDUSSCGKSA-N 2 0 362.421 -0.424 20 0 FBADRP CN1CC[NH+](CCCCNC(=O)C(=O)N2CCCCC[C@H]([NH3+])C2)CC1 ZINC000884597854 661592385 /nfs/dbraw/zinc/59/23/85/661592385.db2.gz MFIRYVFYHQPESI-INIZCTEOSA-N 2 0 353.511 -0.140 20 0 FBADRP CN1CC[NH+](CCCCNC(=O)C(=O)N2CCCCC[C@@H]([NH3+])C2)CC1 ZINC000884597855 661592634 /nfs/dbraw/zinc/59/26/34/661592634.db2.gz MFIRYVFYHQPESI-MRXNPFEDSA-N 2 0 353.511 -0.140 20 0 FBADRP CN1CC[NH+](CCCCNC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC1 ZINC000884597970 661592706 /nfs/dbraw/zinc/59/27/06/661592706.db2.gz PTYWPHXRIBNIFC-MAUKXSAKSA-N 2 0 351.495 -0.802 20 0 FBADRP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000884598011 661592690 /nfs/dbraw/zinc/59/26/90/661592690.db2.gz QQPYWSKKEWMMLP-MRXNPFEDSA-N 2 0 353.511 -0.269 20 0 FBADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCCC[C@H]2C[NH3+])CC1 ZINC000884598064 661592436 /nfs/dbraw/zinc/59/24/36/661592436.db2.gz RWPGMZJLWYXZFM-INIZCTEOSA-N 2 0 353.511 -0.140 20 0 FBADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CC1 ZINC000884598065 661592589 /nfs/dbraw/zinc/59/25/89/661592589.db2.gz RWPGMZJLWYXZFM-MRXNPFEDSA-N 2 0 353.511 -0.140 20 0 FBADRP O=C(NCCCC[NH+]1CCOCC1)C(=O)N1CC[NH2+]CCC12CCC2 ZINC000884598225 661592459 /nfs/dbraw/zinc/59/24/59/661592459.db2.gz WBIUPVMLAWNTGC-UHFFFAOYSA-N 2 0 352.479 -0.040 20 0 FBADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000884598352 661592415 /nfs/dbraw/zinc/59/24/15/661592415.db2.gz YXXNLOYITRPBBQ-IYBDPMFKSA-N 2 0 351.495 -0.517 20 0 FBADRP CC[N@H+](CCNC(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC000884601706 661592511 /nfs/dbraw/zinc/59/25/11/661592511.db2.gz STYWQONTSXZVKQ-HNNXBMFYSA-N 2 0 352.479 -0.138 20 0 FBADRP CC[N@H+](CCNC(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC000884601707 661592732 /nfs/dbraw/zinc/59/27/32/661592732.db2.gz STYWQONTSXZVKQ-OAHLLOKOSA-N 2 0 352.479 -0.138 20 0 FBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884603410 661592741 /nfs/dbraw/zinc/59/27/41/661592741.db2.gz IZDCLXPTQRYQMN-FZKCQIBNSA-N 2 0 352.479 -0.140 20 0 FBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884603411 661592486 /nfs/dbraw/zinc/59/24/86/661592486.db2.gz IZDCLXPTQRYQMN-QKPAOTATSA-N 2 0 352.479 -0.140 20 0 FBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000884603484 661592661 /nfs/dbraw/zinc/59/26/61/661592661.db2.gz KSOSBEFFCUUPAA-CHWSQXEVSA-N 2 0 362.421 -0.426 20 0 FBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000884603485 661592543 /nfs/dbraw/zinc/59/25/43/661592543.db2.gz KSOSBEFFCUUPAA-OLZOCXBDSA-N 2 0 362.421 -0.426 20 0 FBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000884603486 661592466 /nfs/dbraw/zinc/59/24/66/661592466.db2.gz KSOSBEFFCUUPAA-QWHCGFSZSA-N 2 0 362.421 -0.426 20 0 FBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000884603487 661592559 /nfs/dbraw/zinc/59/25/59/661592559.db2.gz KSOSBEFFCUUPAA-STQMWFEESA-N 2 0 362.421 -0.426 20 0 FBADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC1 ZINC000884603641 661592613 /nfs/dbraw/zinc/59/26/13/661592613.db2.gz ODSFUTBTKQPWMW-KBXCAEBGSA-N 2 0 352.479 -0.329 20 0 FBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CC[NH2+]CCC12CCC2 ZINC000884603736 661592600 /nfs/dbraw/zinc/59/26/00/661592600.db2.gz PXKDIGNUBLKNMA-HNNXBMFYSA-N 2 0 352.479 -0.042 20 0 FBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[NH2+]CCC12CCC2 ZINC000884603737 661592447 /nfs/dbraw/zinc/59/24/47/661592447.db2.gz PXKDIGNUBLKNMA-OAHLLOKOSA-N 2 0 352.479 -0.042 20 0 FBADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)CC1 ZINC000884603787 661592655 /nfs/dbraw/zinc/59/26/55/661592655.db2.gz RBHDZLVKIPIRTD-CVEARBPZSA-N 2 0 352.479 -0.044 20 0 FBADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)CC1 ZINC000884603788 661592406 /nfs/dbraw/zinc/59/24/06/661592406.db2.gz RBHDZLVKIPIRTD-HOTGVXAUSA-N 2 0 352.479 -0.044 20 0 FBADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC000884603789 661592630 /nfs/dbraw/zinc/59/26/30/661592630.db2.gz RBHDZLVKIPIRTD-HZPDHXFCSA-N 2 0 352.479 -0.044 20 0 FBADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC000884603790 661592618 /nfs/dbraw/zinc/59/26/18/661592618.db2.gz RBHDZLVKIPIRTD-JKSUJKDBSA-N 2 0 352.479 -0.044 20 0 FBADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)CCSC1 ZINC000884612451 661592675 /nfs/dbraw/zinc/59/26/75/661592675.db2.gz LVRQHDMGADFMGE-BXUZGUMPSA-N 2 0 364.462 -0.099 20 0 FBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)CCSC1 ZINC000884612452 661592576 /nfs/dbraw/zinc/59/25/76/661592576.db2.gz LVRQHDMGADFMGE-FZMZJTMJSA-N 2 0 364.462 -0.099 20 0 FBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)CCSC1 ZINC000884612453 661592927 /nfs/dbraw/zinc/59/29/27/661592927.db2.gz LVRQHDMGADFMGE-RISCZKNCSA-N 2 0 364.462 -0.099 20 0 FBADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)CCSC1 ZINC000884612454 661592944 /nfs/dbraw/zinc/59/29/44/661592944.db2.gz LVRQHDMGADFMGE-SMDDNHRTSA-N 2 0 364.462 -0.099 20 0 FBADRP C[C@@H](CNC(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)[N@H+](C)C1CC1 ZINC000884617229 661592870 /nfs/dbraw/zinc/59/28/70/661592870.db2.gz KAGDISPEVDBMIT-DZGCQCFKSA-N 2 0 352.479 -0.140 20 0 FBADRP C[C@H](CNC(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)[N@H+](C)C1CC1 ZINC000884617230 661592902 /nfs/dbraw/zinc/59/29/02/661592902.db2.gz KAGDISPEVDBMIT-HIFRSBDPSA-N 2 0 352.479 -0.140 20 0 FBADRP C[C@H](CNC(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)[N@H+](C)C1CC1 ZINC000884617231 661592980 /nfs/dbraw/zinc/59/29/80/661592980.db2.gz KAGDISPEVDBMIT-UKRRQHHQSA-N 2 0 352.479 -0.140 20 0 FBADRP C[C@@H](CNC(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)[N@H+](C)C1CC1 ZINC000884617232 661592937 /nfs/dbraw/zinc/59/29/37/661592937.db2.gz KAGDISPEVDBMIT-ZFWWWQNUSA-N 2 0 352.479 -0.140 20 0 FBADRP COCC[N@H+](C)CCCNC(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000884637086 661593002 /nfs/dbraw/zinc/59/30/02/661593002.db2.gz ACFGSQLCMHZDPI-GFCCVEGCSA-N 2 0 350.410 -0.568 20 0 FBADRP COCC[N@H+](C)CCCNC(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000884637087 661592879 /nfs/dbraw/zinc/59/28/79/661592879.db2.gz ACFGSQLCMHZDPI-LBPRGKRZSA-N 2 0 350.410 -0.568 20 0 FBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000884637326 661592826 /nfs/dbraw/zinc/59/28/26/661592826.db2.gz JOCKTSDYNPIRKR-NEPJUHHUSA-N 2 0 368.400 -0.334 20 0 FBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000884637327 661592954 /nfs/dbraw/zinc/59/29/54/661592954.db2.gz JOCKTSDYNPIRKR-NWDGAFQWSA-N 2 0 368.400 -0.334 20 0 FBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000884637328 661592916 /nfs/dbraw/zinc/59/29/16/661592916.db2.gz JOCKTSDYNPIRKR-RYUDHWBXSA-N 2 0 368.400 -0.334 20 0 FBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000884637329 661592964 /nfs/dbraw/zinc/59/29/64/661592964.db2.gz JOCKTSDYNPIRKR-VXGBXAGGSA-N 2 0 368.400 -0.334 20 0 FBADRP O=C(NCC1([NH+]2CCCC2)CCOCC1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884640135 661593283 /nfs/dbraw/zinc/59/32/83/661593283.db2.gz VFRMYNXDFBDCKY-GASCZTMLSA-N 2 0 350.463 -0.290 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)C[C@H]1C[NH3+] ZINC000884640186 661593259 /nfs/dbraw/zinc/59/32/59/661593259.db2.gz WDMKXWYBXBMHNO-HUUCEWRRSA-N 2 0 352.479 -0.199 20 0 FBADRP CCN(C(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1)[C@H]1CC[NH2+]C1 ZINC000884640207 661593289 /nfs/dbraw/zinc/59/32/89/661593289.db2.gz WXAIIVGTYMBJJZ-HNNXBMFYSA-N 2 0 352.479 -0.042 20 0 FBADRP CCN(C(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1)[C@@H]1CC[NH2+]C1 ZINC000884640208 661593235 /nfs/dbraw/zinc/59/32/35/661593235.db2.gz WXAIIVGTYMBJJZ-OAHLLOKOSA-N 2 0 352.479 -0.042 20 0 FBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000884642507 661593266 /nfs/dbraw/zinc/59/32/66/661593266.db2.gz KTKUSVFDRPCVSJ-CRAIPNDOSA-N 2 0 352.479 -0.185 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000884642508 661593280 /nfs/dbraw/zinc/59/32/80/661593280.db2.gz KTKUSVFDRPCVSJ-MAUKXSAKSA-N 2 0 352.479 -0.185 20 0 FBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000884642509 661593240 /nfs/dbraw/zinc/59/32/40/661593240.db2.gz KTKUSVFDRPCVSJ-QAPCUYQASA-N 2 0 352.479 -0.185 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000884642510 661593261 /nfs/dbraw/zinc/59/32/61/661593261.db2.gz KTKUSVFDRPCVSJ-YJBOKZPZSA-N 2 0 352.479 -0.185 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)C1 ZINC000884642803 661593276 /nfs/dbraw/zinc/59/32/76/661593276.db2.gz QZBXYCJPUJRHLH-GRYCIOLGSA-N 2 0 366.384 -0.581 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)C1 ZINC000884642804 661593432 /nfs/dbraw/zinc/59/34/32/661593432.db2.gz QZBXYCJPUJRHLH-SDDRHHMPSA-N 2 0 366.384 -0.581 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1 ZINC000884642805 661593529 /nfs/dbraw/zinc/59/35/29/661593529.db2.gz QZBXYCJPUJRHLH-SRVKXCTJSA-N 2 0 366.384 -0.581 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)C1 ZINC000884642806 661593566 /nfs/dbraw/zinc/59/35/66/661593566.db2.gz QZBXYCJPUJRHLH-WOPDTQHZSA-N 2 0 366.384 -0.581 20 0 FBADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000884656264 661593501 /nfs/dbraw/zinc/59/35/01/661593501.db2.gz ABNXVTASEVYZHW-OKILXGFUSA-N 2 0 352.479 -0.045 20 0 FBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000884662517 661593854 /nfs/dbraw/zinc/59/38/54/661593854.db2.gz RQONGZYHRTYCDL-GHMZBOCLSA-N 2 0 354.373 -0.724 20 0 FBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000884662518 661593821 /nfs/dbraw/zinc/59/38/21/661593821.db2.gz RQONGZYHRTYCDL-MNOVXSKESA-N 2 0 354.373 -0.724 20 0 FBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000884662519 661593878 /nfs/dbraw/zinc/59/38/78/661593878.db2.gz RQONGZYHRTYCDL-QWRGUYRKSA-N 2 0 354.373 -0.724 20 0 FBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000884662520 661593818 /nfs/dbraw/zinc/59/38/18/661593818.db2.gz RQONGZYHRTYCDL-WDEREUQCSA-N 2 0 354.373 -0.724 20 0 FBADRP C[C@H](CNC(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21)C[NH+]1CCN(C)CC1 ZINC000884669896 661593813 /nfs/dbraw/zinc/59/38/13/661593813.db2.gz JTOIJYIUZANYAD-BZUAXINKSA-N 2 0 351.495 -0.661 20 0 FBADRP C[C@H](CNC(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21)C[NH+]1CCN(C)CC1 ZINC000884669897 661593871 /nfs/dbraw/zinc/59/38/71/661593871.db2.gz JTOIJYIUZANYAD-OAGGEKHMSA-N 2 0 351.495 -0.661 20 0 FBADRP C[C@H](CNC(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21)C[NH+]1CCN(C)CC1 ZINC000884669898 661593735 /nfs/dbraw/zinc/59/37/35/661593735.db2.gz JTOIJYIUZANYAD-OWCLPIDISA-N 2 0 351.495 -0.661 20 0 FBADRP C[C@H](CNC(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21)C[NH+]1CCN(C)CC1 ZINC000884669899 661593858 /nfs/dbraw/zinc/59/38/58/661593858.db2.gz JTOIJYIUZANYAD-PMPSAXMXSA-N 2 0 351.495 -0.661 20 0 FBADRP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000884669925 661593895 /nfs/dbraw/zinc/59/38/95/661593895.db2.gz KICIMAMJHRZYIF-HZPDHXFCSA-N 2 0 353.511 -0.413 20 0 FBADRP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000884669926 661593827 /nfs/dbraw/zinc/59/38/27/661593827.db2.gz KICIMAMJHRZYIF-JKSUJKDBSA-N 2 0 353.511 -0.413 20 0 FBADRP CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(CC)CC1)[C@H]1CC[NH2+]C1 ZINC000884670009 661593802 /nfs/dbraw/zinc/59/38/02/661593802.db2.gz MRUFEETWMMPRIK-CVEARBPZSA-N 2 0 353.511 -0.413 20 0 FBADRP CCN(C(=O)C(=O)NC[C@H](C)C[NH+]1CCN(CC)CC1)[C@H]1CC[NH2+]C1 ZINC000884670010 661593799 /nfs/dbraw/zinc/59/37/99/661593799.db2.gz MRUFEETWMMPRIK-HOTGVXAUSA-N 2 0 353.511 -0.413 20 0 FBADRP CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(CC)CC1)[C@@H]1CC[NH2+]C1 ZINC000884670011 661593822 /nfs/dbraw/zinc/59/38/22/661593822.db2.gz MRUFEETWMMPRIK-HZPDHXFCSA-N 2 0 353.511 -0.413 20 0 FBADRP CCN(C(=O)C(=O)NC[C@H](C)C[NH+]1CCN(CC)CC1)[C@@H]1CC[NH2+]C1 ZINC000884670012 661593888 /nfs/dbraw/zinc/59/38/88/661593888.db2.gz MRUFEETWMMPRIK-JKSUJKDBSA-N 2 0 353.511 -0.413 20 0 FBADRP C[C@H](CNC(=O)C(=O)N1CCCCC[C@H]([NH3+])C1)C[NH+]1CCN(C)CC1 ZINC000884670056 661593808 /nfs/dbraw/zinc/59/38/08/661593808.db2.gz OFIYARDXDDKFMS-CVEARBPZSA-N 2 0 353.511 -0.284 20 0 FBADRP C[C@@H](CNC(=O)C(=O)N1CCCCC[C@H]([NH3+])C1)C[NH+]1CCN(C)CC1 ZINC000884670057 661593882 /nfs/dbraw/zinc/59/38/82/661593882.db2.gz OFIYARDXDDKFMS-HOTGVXAUSA-N 2 0 353.511 -0.284 20 0 FBADRP C[C@H](CNC(=O)C(=O)N1CCCCC[C@@H]([NH3+])C1)C[NH+]1CCN(C)CC1 ZINC000884670058 661593781 /nfs/dbraw/zinc/59/37/81/661593781.db2.gz OFIYARDXDDKFMS-HZPDHXFCSA-N 2 0 353.511 -0.284 20 0 FBADRP C[C@@H](CNC(=O)C(=O)N1CCCCC[C@@H]([NH3+])C1)C[NH+]1CCN(C)CC1 ZINC000884670059 661593844 /nfs/dbraw/zinc/59/38/44/661593844.db2.gz OFIYARDXDDKFMS-JKSUJKDBSA-N 2 0 353.511 -0.284 20 0 FBADRP C[C@@H](CNC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)C[NH+]1CCN(C)CC1 ZINC000884670083 661593791 /nfs/dbraw/zinc/59/37/91/661593791.db2.gz ORGSWYNQHSRODB-RLFYNMQTSA-N 2 0 351.495 -0.946 20 0 FBADRP C[C@H](CNC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)C[NH+]1CCN(C)CC1 ZINC000884670084 661593769 /nfs/dbraw/zinc/59/37/69/661593769.db2.gz ORGSWYNQHSRODB-RVKKMQEKSA-N 2 0 351.495 -0.946 20 0 FBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000884670201 661593848 /nfs/dbraw/zinc/59/38/48/661593848.db2.gz RFDZTIUAZAVROW-HRCADAONSA-N 2 0 351.495 -0.661 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000884670202 661593906 /nfs/dbraw/zinc/59/39/06/661593906.db2.gz RFDZTIUAZAVROW-OAGGEKHMSA-N 2 0 351.495 -0.661 20 0 FBADRP CCC1([NH3+])CCN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000884670218 661593832 /nfs/dbraw/zinc/59/38/32/661593832.db2.gz RPDUVBXEJHREPR-HNNXBMFYSA-N 2 0 353.511 -0.284 20 0 FBADRP CCC1([NH3+])CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000884670219 661593759 /nfs/dbraw/zinc/59/37/59/661593759.db2.gz RPDUVBXEJHREPR-OAHLLOKOSA-N 2 0 353.511 -0.284 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC000884670237 661593866 /nfs/dbraw/zinc/59/38/66/661593866.db2.gz SRIJWXIFXTYLOS-BZUAXINKSA-N 2 0 353.511 -0.571 20 0 FBADRP C[C@H](CNC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1)C[NH+]1CCN(C)CC1 ZINC000884670379 661594128 /nfs/dbraw/zinc/59/41/28/661594128.db2.gz XYFUZJSHUOJQAV-BZUAXINKSA-N 2 0 353.511 -0.380 20 0 FBADRP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1)C[NH+]1CCN(C)CC1 ZINC000884670380 661594106 /nfs/dbraw/zinc/59/41/06/661594106.db2.gz XYFUZJSHUOJQAV-JYJNAYRXSA-N 2 0 353.511 -0.380 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NCC2CC[NH2+]CC2)C[C@H]1C[NH+](C)C ZINC000884675097 661594155 /nfs/dbraw/zinc/59/41/55/661594155.db2.gz RZBVQOAWHPHTKA-HZPDHXFCSA-N 3 0 353.511 -0.700 20 0 FBADRP CCC1([NH+](C)C)CCN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000884676288 661594190 /nfs/dbraw/zinc/59/41/90/661594190.db2.gz IGXJOOXFEJZGLR-UHFFFAOYSA-N 2 0 353.511 -0.269 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NCCC[NH2+]C2CC2)C[C@H]1C[NH+](C)C ZINC000884676707 661594182 /nfs/dbraw/zinc/59/41/82/661594182.db2.gz VMKORMZAKIOLDY-HUUCEWRRSA-N 3 0 353.511 -0.558 20 0 FBADRP C[NH+](C)C1(C)CCC(NC(=O)C(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000884676718 661594099 /nfs/dbraw/zinc/59/40/99/661594099.db2.gz VQSIHLQHXJMJJB-UHFFFAOYSA-N 2 0 353.511 -0.223 20 0 FBADRP CC1([NH+]2CCCC2)CCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000884677458 661594178 /nfs/dbraw/zinc/59/41/78/661594178.db2.gz URSUVBGUHVXJBD-UHFFFAOYSA-N 2 0 351.495 -0.515 20 0 FBADRP CC(C)[NH+]1CCC(CCNC(=O)C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000884677649 661594095 /nfs/dbraw/zinc/59/40/95/661594095.db2.gz ZMBNXLYKHUNYCI-UHFFFAOYSA-N 2 0 353.511 -0.366 20 0 FBADRP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000884677843 661594225 /nfs/dbraw/zinc/59/42/25/661594225.db2.gz GRASZIRPQJSPTE-UHFFFAOYSA-N 2 0 351.495 -0.515 20 0 FBADRP CN(CCCC[NH+]1CCCCC1)C(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000884677854 661594196 /nfs/dbraw/zinc/59/41/96/661594196.db2.gz HHCQLOYQKDGKQH-UHFFFAOYSA-N 2 0 353.511 -0.268 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCC[NH2+]C2)C[C@H]1C[NH+](C)C ZINC000884681554 661594383 /nfs/dbraw/zinc/59/43/83/661594383.db2.gz YQTGFKSAQPWQSQ-ARFHVFGLSA-N 3 0 353.511 -0.700 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)C[C@H]1C[NH+](C)C ZINC000884681555 661594500 /nfs/dbraw/zinc/59/45/00/661594500.db2.gz YQTGFKSAQPWQSQ-BZUAXINKSA-N 3 0 353.511 -0.700 20 0 FBADRP CN1CC[NH+](C2CCN(C(=O)C(=O)NC[C@@H]3CCCC[NH2+]3)CC2)CC1 ZINC000884681960 661594396 /nfs/dbraw/zinc/59/43/96/661594396.db2.gz KYTXZSYHJWAYPI-HNNXBMFYSA-N 2 0 351.495 -0.517 20 0 FBADRP CN1CC[NH+](C2CCN(C(=O)C(=O)NC[C@H]3CCCC[NH2+]3)CC2)CC1 ZINC000884681961 661594492 /nfs/dbraw/zinc/59/44/92/661594492.db2.gz KYTXZSYHJWAYPI-OAHLLOKOSA-N 2 0 351.495 -0.517 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCCC[NH2+]2)C[C@H]1C[NH+](C)C ZINC000884681974 661594416 /nfs/dbraw/zinc/59/44/16/661594416.db2.gz LGEWBTSCUZKMGZ-BZUAXINKSA-N 3 0 353.511 -0.558 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)C[C@H]1C[NH+](C)C ZINC000884681975 661594469 /nfs/dbraw/zinc/59/44/69/661594469.db2.gz LGEWBTSCUZKMGZ-OAGGEKHMSA-N 3 0 353.511 -0.558 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)C[C@H]1C[NH+](C)C ZINC000884685618 661594454 /nfs/dbraw/zinc/59/44/54/661594454.db2.gz LXUKIPOELVNGNV-FPCVCCKLSA-N 3 0 353.511 -0.430 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)C[C@H]1C[NH+](C)C ZINC000884685619 661594511 /nfs/dbraw/zinc/59/45/11/661594511.db2.gz LXUKIPOELVNGNV-KLHDSHLOSA-N 3 0 353.511 -0.430 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)C[C@H]1C[NH+](C)C ZINC000884685620 661594458 /nfs/dbraw/zinc/59/44/58/661594458.db2.gz LXUKIPOELVNGNV-LVQVYYBASA-N 3 0 353.511 -0.430 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)C[C@H]1C[NH+](C)C ZINC000884685621 661594523 /nfs/dbraw/zinc/59/45/23/661594523.db2.gz LXUKIPOELVNGNV-WCVJEAGWSA-N 3 0 353.511 -0.430 20 0 FBADRP CC(C)[NH2+]CCCNC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000884690290 661594440 /nfs/dbraw/zinc/59/44/40/661594440.db2.gz UBJQDRUIOGGMQW-HZPDHXFCSA-N 3 0 355.527 -0.312 20 0 FBADRP CC(C)[NH2+]CCCNC(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000884690566 661594833 /nfs/dbraw/zinc/59/48/33/661594833.db2.gz DNHCLMGWBIQFPF-UHFFFAOYSA-N 2 0 353.511 -0.271 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)C[C@H]1C[NH+](C)C ZINC000884691667 661594890 /nfs/dbraw/zinc/59/48/90/661594890.db2.gz OBJKZBKHICWZEJ-ARFHVFGLSA-N 3 0 353.511 -0.700 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NCC[C@H]2CC[NH2+]C2)C[C@H]1C[NH+](C)C ZINC000884691668 661594855 /nfs/dbraw/zinc/59/48/55/661594855.db2.gz OBJKZBKHICWZEJ-BZUAXINKSA-N 3 0 353.511 -0.700 20 0 FBADRP CN1CC[NH+](C2CCN(C(=O)C(=O)N[C@H]3CCCC[NH2+]C3)CC2)CC1 ZINC000884694126 661594805 /nfs/dbraw/zinc/59/48/05/661594805.db2.gz BLASCDVSWHLMSA-HNNXBMFYSA-N 2 0 351.495 -0.517 20 0 FBADRP CN1CC[NH+](C2CCN(C(=O)C(=O)N[C@@H]3CCCC[NH2+]C3)CC2)CC1 ZINC000884694127 661594876 /nfs/dbraw/zinc/59/48/76/661594876.db2.gz BLASCDVSWHLMSA-OAHLLOKOSA-N 2 0 351.495 -0.517 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)C[C@H]1C[NH+](C)C ZINC000884694188 661594895 /nfs/dbraw/zinc/59/48/95/661594895.db2.gz DYTKKDHSEKMKIN-BZUAXINKSA-N 3 0 353.511 -0.558 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)C[C@H]1C[NH+](C)C ZINC000884694189 661594845 /nfs/dbraw/zinc/59/48/45/661594845.db2.gz DYTKKDHSEKMKIN-OAGGEKHMSA-N 3 0 353.511 -0.558 20 0 FBADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000884698121 661594884 /nfs/dbraw/zinc/59/48/84/661594884.db2.gz JPDSVRUOAUNQSA-BZUAXINKSA-N 3 0 355.527 -0.326 20 0 FBADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000884698122 661594928 /nfs/dbraw/zinc/59/49/28/661594928.db2.gz JPDSVRUOAUNQSA-OAGGEKHMSA-N 3 0 355.527 -0.326 20 0 FBADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000884700206 661594911 /nfs/dbraw/zinc/59/49/11/661594911.db2.gz NWCYJYOALZFNBY-HNNXBMFYSA-N 2 0 353.511 -0.286 20 0 FBADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000884700207 661594838 /nfs/dbraw/zinc/59/48/38/661594838.db2.gz NWCYJYOALZFNBY-OAHLLOKOSA-N 2 0 353.511 -0.286 20 0 FBADRP CCC([NH3+])(CC)CNC(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000884712402 661594848 /nfs/dbraw/zinc/59/48/48/661594848.db2.gz PXPQACUGOXAEJQ-UHFFFAOYSA-N 2 0 353.511 -0.142 20 0 FBADRP CCC([NH3+])(CC)CNC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000884712626 661594896 /nfs/dbraw/zinc/59/48/96/661594896.db2.gz WQYWJUZDTZVDCY-HUUCEWRRSA-N 3 0 355.527 -0.182 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[NH2+]CC2)C[C@H]1C[NH+](C)C ZINC000884714786 661594791 /nfs/dbraw/zinc/59/47/91/661594791.db2.gz ACFXPEWMISMLCN-BZUAXINKSA-N 3 0 353.511 -0.558 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[NH2+]CC2)C[C@H]1C[NH+](C)C ZINC000884714787 661594873 /nfs/dbraw/zinc/59/48/73/661594873.db2.gz ACFXPEWMISMLCN-OAGGEKHMSA-N 3 0 353.511 -0.558 20 0 FBADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000884717249 661594906 /nfs/dbraw/zinc/59/49/06/661594906.db2.gz WVJJSLSRVYBBLL-FPCVCCKLSA-N 3 0 353.511 -0.702 20 0 FBADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000884717250 661595120 /nfs/dbraw/zinc/59/51/20/661595120.db2.gz WVJJSLSRVYBBLL-JJXSEGSLSA-N 3 0 353.511 -0.702 20 0 FBADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000884717251 661595177 /nfs/dbraw/zinc/59/51/77/661595177.db2.gz WVJJSLSRVYBBLL-KLHDSHLOSA-N 3 0 353.511 -0.702 20 0 FBADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000884717252 661595234 /nfs/dbraw/zinc/59/52/34/661595234.db2.gz WVJJSLSRVYBBLL-ZJIFWQFVSA-N 3 0 353.511 -0.702 20 0 FBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC[NH2+]1 ZINC000884717470 661595095 /nfs/dbraw/zinc/59/50/95/661595095.db2.gz BUGRZNXZKRSPLO-FPCVCCKLSA-N 3 0 353.511 -0.559 20 0 FBADRP C[C@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC[NH2+]1 ZINC000884717471 661595193 /nfs/dbraw/zinc/59/51/93/661595193.db2.gz BUGRZNXZKRSPLO-JJXSEGSLSA-N 3 0 353.511 -0.559 20 0 FBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC[NH2+]1 ZINC000884717472 661595249 /nfs/dbraw/zinc/59/52/49/661595249.db2.gz BUGRZNXZKRSPLO-KLHDSHLOSA-N 3 0 353.511 -0.559 20 0 FBADRP C[C@H]1C[C@H](NC(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC[NH2+]1 ZINC000884717473 661595123 /nfs/dbraw/zinc/59/51/23/661595123.db2.gz BUGRZNXZKRSPLO-ZJIFWQFVSA-N 3 0 353.511 -0.559 20 0 FBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000884719429 661595144 /nfs/dbraw/zinc/59/51/44/661595144.db2.gz LYQOOGDQRJDXJP-FPCVCCKLSA-N 3 0 353.511 -0.702 20 0 FBADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000884719430 661595152 /nfs/dbraw/zinc/59/51/52/661595152.db2.gz LYQOOGDQRJDXJP-JJXSEGSLSA-N 3 0 353.511 -0.702 20 0 FBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000884719431 661595215 /nfs/dbraw/zinc/59/52/15/661595215.db2.gz LYQOOGDQRJDXJP-KLHDSHLOSA-N 3 0 353.511 -0.702 20 0 FBADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000884719432 661595173 /nfs/dbraw/zinc/59/51/73/661595173.db2.gz LYQOOGDQRJDXJP-ZJIFWQFVSA-N 3 0 353.511 -0.702 20 0 FBADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000884720586 661595117 /nfs/dbraw/zinc/59/51/17/661595117.db2.gz QNFIYWSEHDTZPQ-HNNXBMFYSA-N 2 0 353.511 -0.142 20 0 FBADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000884720587 661595179 /nfs/dbraw/zinc/59/51/79/661595179.db2.gz QNFIYWSEHDTZPQ-OAHLLOKOSA-N 2 0 353.511 -0.142 20 0 FBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000884720756 661595224 /nfs/dbraw/zinc/59/52/24/661595224.db2.gz UHELJSUWMIUENB-GDBMZVCRSA-N 2 0 351.495 -0.661 20 0 FBADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000884720757 661595147 /nfs/dbraw/zinc/59/51/47/661595147.db2.gz UHELJSUWMIUENB-GOEBONIOSA-N 2 0 351.495 -0.661 20 0 FBADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000884720758 661595209 /nfs/dbraw/zinc/59/52/09/661595209.db2.gz UHELJSUWMIUENB-HOCLYGCPSA-N 2 0 351.495 -0.661 20 0 FBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000884720759 661595086 /nfs/dbraw/zinc/59/50/86/661595086.db2.gz UHELJSUWMIUENB-ZBFHGGJFSA-N 2 0 351.495 -0.661 20 0 FBADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000884720800 661595076 /nfs/dbraw/zinc/59/50/76/661595076.db2.gz UUEBIVZMCQCBFF-BZUAXINKSA-N 3 0 355.527 -0.182 20 0 FBADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000884720801 661595207 /nfs/dbraw/zinc/59/52/07/661595207.db2.gz UUEBIVZMCQCBFF-OAGGEKHMSA-N 3 0 355.527 -0.182 20 0 FBADRP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000884723365 661595503 /nfs/dbraw/zinc/59/55/03/661595503.db2.gz IVVLSWXHAVJGPM-HNNXBMFYSA-N 2 0 352.479 -0.042 20 0 FBADRP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000884723366 661595481 /nfs/dbraw/zinc/59/54/81/661595481.db2.gz IVVLSWXHAVJGPM-OAHLLOKOSA-N 2 0 352.479 -0.042 20 0 FBADRP CC1([NH+]2CCCC2)CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000884724411 661595433 /nfs/dbraw/zinc/59/54/33/661595433.db2.gz SFDIVFYNTTYMPG-HNNXBMFYSA-N 2 0 352.479 -0.042 20 0 FBADRP CC1([NH+]2CCCC2)CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000884724412 661595352 /nfs/dbraw/zinc/59/53/52/661595352.db2.gz SFDIVFYNTTYMPG-OAHLLOKOSA-N 2 0 352.479 -0.042 20 0 FBADRP CC1([NH+]2CCCCC2)CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000884725730 661595356 /nfs/dbraw/zinc/59/53/56/661595356.db2.gz VJPMOKKUMUELMS-HNNXBMFYSA-N 2 0 352.479 -0.042 20 0 FBADRP CC1([NH+]2CCCCC2)CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000884725731 661595483 /nfs/dbraw/zinc/59/54/83/661595483.db2.gz VJPMOKKUMUELMS-OAHLLOKOSA-N 2 0 352.479 -0.042 20 0 FBADRP CCC1([NH+]2CCCC2)CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000884725760 661595457 /nfs/dbraw/zinc/59/54/57/661595457.db2.gz WOVPYEIZJVRBNT-HNNXBMFYSA-N 2 0 352.479 -0.042 20 0 FBADRP CCC1([NH+]2CCCC2)CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000884725761 661595409 /nfs/dbraw/zinc/59/54/09/661595409.db2.gz WOVPYEIZJVRBNT-OAHLLOKOSA-N 2 0 352.479 -0.042 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NCCC2(C[NH3+])CC2)C[C@H]1C[NH+](C)C ZINC000884752355 661595737 /nfs/dbraw/zinc/59/57/37/661595737.db2.gz UTWRDDQRGTXNSD-HUUCEWRRSA-N 3 0 353.511 -0.571 20 0 FBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000884774907 661595659 /nfs/dbraw/zinc/59/56/59/661595659.db2.gz ULODHLDBZQQELR-QLFBSQMISA-N 2 0 352.479 -0.282 20 0 FBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000884774910 661595700 /nfs/dbraw/zinc/59/57/00/661595700.db2.gz ULODHLDBZQQELR-ZNMIVQPWSA-N 2 0 352.479 -0.282 20 0 FBADRP CN1CC[NH+](C2CCN(C(=O)C(=O)NCC3([NH3+])CCCC3)CC2)CC1 ZINC000884782161 661595754 /nfs/dbraw/zinc/59/57/54/661595754.db2.gz LVUGKLCIUYXEJQ-UHFFFAOYSA-N 2 0 351.495 -0.388 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NCC2([NH3+])CCCC2)C[C@H]1C[NH+](C)C ZINC000884782604 661595730 /nfs/dbraw/zinc/59/57/30/661595730.db2.gz RDXQSNVWDZTKGP-HUUCEWRRSA-N 3 0 353.511 -0.428 20 0 FBADRP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000884787060 661595720 /nfs/dbraw/zinc/59/57/20/661595720.db2.gz FRFPBYKSZVIYNV-CVEARBPZSA-N 2 0 352.479 -0.044 20 0 FBADRP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000884787061 661596100 /nfs/dbraw/zinc/59/61/00/661596100.db2.gz FRFPBYKSZVIYNV-HZPDHXFCSA-N 2 0 352.479 -0.044 20 0 FBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000884787152 661595926 /nfs/dbraw/zinc/59/59/26/661595926.db2.gz ISXWTYSHOFFVMP-CABCVRRESA-N 2 0 352.479 -0.138 20 0 FBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000884787153 661596058 /nfs/dbraw/zinc/59/60/58/661596058.db2.gz ISXWTYSHOFFVMP-GJZGRUSLSA-N 2 0 352.479 -0.138 20 0 FBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000884787154 661596089 /nfs/dbraw/zinc/59/60/89/661596089.db2.gz ISXWTYSHOFFVMP-HUUCEWRRSA-N 2 0 352.479 -0.138 20 0 FBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000884787155 661595895 /nfs/dbraw/zinc/59/58/95/661595895.db2.gz ISXWTYSHOFFVMP-LSDHHAIUSA-N 2 0 352.479 -0.138 20 0 FBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)NC1CC[NH+]([C@H]3CCOC3)CC1)C2 ZINC000884787352 661595990 /nfs/dbraw/zinc/59/59/90/661595990.db2.gz ORLATOXKFFDDPB-DHSIGJKJSA-N 2 0 350.463 -0.576 20 0 FBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)NC1CC[NH+]([C@@H]3CCOC3)CC1)C2 ZINC000884787353 661596135 /nfs/dbraw/zinc/59/61/35/661596135.db2.gz ORLATOXKFFDDPB-JCKWVBRZSA-N 2 0 350.463 -0.576 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)C[C@H]1C[NH+](C)C ZINC000884790171 661596110 /nfs/dbraw/zinc/59/61/10/661596110.db2.gz IMVOGMPBMNRSLW-NWPKHEMWSA-N 3 0 351.495 -0.948 20 0 FBADRP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000884791140 661596066 /nfs/dbraw/zinc/59/60/66/661596066.db2.gz FCPWRAZEFFVJFS-MRXNPFEDSA-N 2 0 353.511 -0.286 20 0 FBADRP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000884792543 661595880 /nfs/dbraw/zinc/59/58/80/661595880.db2.gz PEVNEAIYWUNALW-BZUAXINKSA-N 3 0 355.527 -0.326 20 0 FBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000884810362 661596015 /nfs/dbraw/zinc/59/60/15/661596015.db2.gz BBEXYTFBICABRS-JKSUJKDBSA-N 2 0 351.495 -0.519 20 0 FBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000884811699 661595934 /nfs/dbraw/zinc/59/59/34/661595934.db2.gz GGSSPUPUFJCNIE-LVQVYYBASA-N 3 0 353.511 -0.559 20 0 FBADRP CCC1([NH+]2CCCC2)CCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000884814550 661596051 /nfs/dbraw/zinc/59/60/51/661596051.db2.gz DZJSSDJPQQNGMZ-HNNXBMFYSA-N 2 0 352.479 -0.042 20 0 FBADRP CCC1([NH+]2CCCC2)CCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000884814551 661595910 /nfs/dbraw/zinc/59/59/10/661595910.db2.gz DZJSSDJPQQNGMZ-OAHLLOKOSA-N 2 0 352.479 -0.042 20 0 FBADRP C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCC([NH+]3CCN(C)CC3)CC2)C[NH2+]1 ZINC000884815447 661596251 /nfs/dbraw/zinc/59/62/51/661596251.db2.gz BFDONSMIKOFLOI-CABCVRRESA-N 2 0 351.495 -0.519 20 0 FBADRP C[C@H]1CC[C@H](NC(=O)C(=O)N2CCC([NH+]3CCN(C)CC3)CC2)C[NH2+]1 ZINC000884815449 661596427 /nfs/dbraw/zinc/59/64/27/661596427.db2.gz BFDONSMIKOFLOI-GJZGRUSLSA-N 2 0 351.495 -0.519 20 0 FBADRP C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCC([NH+]3CCN(C)CC3)CC2)C[NH2+]1 ZINC000884815451 661596566 /nfs/dbraw/zinc/59/65/66/661596566.db2.gz BFDONSMIKOFLOI-HUUCEWRRSA-N 2 0 351.495 -0.519 20 0 FBADRP C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCC([NH+]3CCN(C)CC3)CC2)C[NH2+]1 ZINC000884815452 661596458 /nfs/dbraw/zinc/59/64/58/661596458.db2.gz BFDONSMIKOFLOI-LSDHHAIUSA-N 2 0 351.495 -0.519 20 0 FBADRP CC1([NH+]2CCCCC2)CCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000884816074 661596449 /nfs/dbraw/zinc/59/64/49/661596449.db2.gz VAHXUHPBJHXLFS-HNNXBMFYSA-N 2 0 352.479 -0.042 20 0 FBADRP CC1([NH+]2CCCCC2)CCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000884816077 661596319 /nfs/dbraw/zinc/59/63/19/661596319.db2.gz VAHXUHPBJHXLFS-OAHLLOKOSA-N 2 0 352.479 -0.042 20 0 FBADRP C[C@@H]1CC[C@H](NC(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C[NH2+]1 ZINC000884819169 661596518 /nfs/dbraw/zinc/59/65/18/661596518.db2.gz CHPNDDBYHGEBMN-FPCVCCKLSA-N 3 0 353.511 -0.559 20 0 FBADRP C[C@H]1CC[C@H](NC(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C[NH2+]1 ZINC000884819170 661596477 /nfs/dbraw/zinc/59/64/77/661596477.db2.gz CHPNDDBYHGEBMN-JJXSEGSLSA-N 3 0 353.511 -0.559 20 0 FBADRP C[C@@H]1CC[C@@H](NC(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C[NH2+]1 ZINC000884819171 661596347 /nfs/dbraw/zinc/59/63/47/661596347.db2.gz CHPNDDBYHGEBMN-KLHDSHLOSA-N 3 0 353.511 -0.559 20 0 FBADRP C[C@H]1CC[C@@H](NC(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C[NH2+]1 ZINC000884819172 661596455 /nfs/dbraw/zinc/59/64/55/661596455.db2.gz CHPNDDBYHGEBMN-ZJIFWQFVSA-N 3 0 353.511 -0.559 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000884885077 661597301 /nfs/dbraw/zinc/59/73/01/661597301.db2.gz RRCHYGFSKJQIGU-HNNXBMFYSA-N 3 0 355.527 -0.167 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000884885078 661597452 /nfs/dbraw/zinc/59/74/52/661597452.db2.gz RRCHYGFSKJQIGU-OAHLLOKOSA-N 3 0 355.527 -0.167 20 0 FBADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000884923526 661597681 /nfs/dbraw/zinc/59/76/81/661597681.db2.gz PZELRZJRSHJSDC-SHTZXODSSA-N 2 0 354.495 -0.075 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000884974517 661598456 /nfs/dbraw/zinc/59/84/56/661598456.db2.gz XFNMFJWYZDWUJU-HNNXBMFYSA-N 3 0 355.527 -0.167 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000884974518 661598261 /nfs/dbraw/zinc/59/82/61/661598261.db2.gz XFNMFJWYZDWUJU-OAHLLOKOSA-N 3 0 355.527 -0.167 20 0 FBADRP CC(C)[NH+]1CCC(CCNC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])CC1 ZINC000884975235 661598280 /nfs/dbraw/zinc/59/82/80/661598280.db2.gz AKJTWOXAGVCMKG-INIZCTEOSA-N 2 0 353.511 -0.286 20 0 FBADRP CC(C)[NH+]1CCC(CCNC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])CC1 ZINC000884975237 661598426 /nfs/dbraw/zinc/59/84/26/661598426.db2.gz AKJTWOXAGVCMKG-MRXNPFEDSA-N 2 0 353.511 -0.286 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000885014181 661598543 /nfs/dbraw/zinc/59/85/43/661598543.db2.gz BOOUPCOWAZJNQK-MUJYYYPQSA-N 3 0 353.511 -0.415 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1cc(N)cc(F)c1 ZINC000885126096 661599208 /nfs/dbraw/zinc/59/92/08/661599208.db2.gz VZIHEPSGAAXQMY-UHFFFAOYSA-N 2 0 353.442 -0.024 20 0 FBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000885137857 661599244 /nfs/dbraw/zinc/59/92/44/661599244.db2.gz JXSISQCKDJWMSS-CABCVRRESA-N 2 0 352.479 -0.186 20 0 FBADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000885137858 661599134 /nfs/dbraw/zinc/59/91/34/661599134.db2.gz JXSISQCKDJWMSS-GJZGRUSLSA-N 2 0 352.479 -0.186 20 0 FBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000885137859 661599228 /nfs/dbraw/zinc/59/92/28/661599228.db2.gz JXSISQCKDJWMSS-HUUCEWRRSA-N 2 0 352.479 -0.186 20 0 FBADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000885137860 661599139 /nfs/dbraw/zinc/59/91/39/661599139.db2.gz JXSISQCKDJWMSS-LSDHHAIUSA-N 2 0 352.479 -0.186 20 0 FBADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885138284 661599487 /nfs/dbraw/zinc/59/94/87/661599487.db2.gz VIKVHJOETNUORR-CABCVRRESA-N 2 0 352.479 -0.186 20 0 FBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885138285 661599616 /nfs/dbraw/zinc/59/96/16/661599616.db2.gz VIKVHJOETNUORR-GJZGRUSLSA-N 2 0 352.479 -0.186 20 0 FBADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885138286 661599565 /nfs/dbraw/zinc/59/95/65/661599565.db2.gz VIKVHJOETNUORR-HUUCEWRRSA-N 2 0 352.479 -0.186 20 0 FBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885138287 661599444 /nfs/dbraw/zinc/59/94/44/661599444.db2.gz VIKVHJOETNUORR-LSDHHAIUSA-N 2 0 352.479 -0.186 20 0 FBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885140714 661599460 /nfs/dbraw/zinc/59/94/60/661599460.db2.gz XDTNGBGVBUFGGS-HNNXBMFYSA-N 2 0 352.479 -0.186 20 0 FBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885140715 661599520 /nfs/dbraw/zinc/59/95/20/661599520.db2.gz XDTNGBGVBUFGGS-OAHLLOKOSA-N 2 0 352.479 -0.186 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885140970 661599589 /nfs/dbraw/zinc/59/95/89/661599589.db2.gz DNCQGYYJKUCRPO-CABCVRRESA-N 2 0 352.479 -0.138 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885140971 661599507 /nfs/dbraw/zinc/59/95/07/661599507.db2.gz DNCQGYYJKUCRPO-GJZGRUSLSA-N 2 0 352.479 -0.138 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885140972 661599469 /nfs/dbraw/zinc/59/94/69/661599469.db2.gz DNCQGYYJKUCRPO-HUUCEWRRSA-N 2 0 352.479 -0.138 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885140973 661599530 /nfs/dbraw/zinc/59/95/30/661599530.db2.gz DNCQGYYJKUCRPO-LSDHHAIUSA-N 2 0 352.479 -0.138 20 0 FBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885148369 661599796 /nfs/dbraw/zinc/59/97/96/661599796.db2.gz MXFUHHHXXBDWNE-HNNXBMFYSA-N 2 0 352.479 -0.185 20 0 FBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885148370 661599824 /nfs/dbraw/zinc/59/98/24/661599824.db2.gz MXFUHHHXXBDWNE-OAHLLOKOSA-N 2 0 352.479 -0.185 20 0 FBADRP CC[N@@H+]1CCCN(C(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000885149880 661599775 /nfs/dbraw/zinc/59/97/75/661599775.db2.gz DPILJKLBOSNIJI-HNNXBMFYSA-N 2 0 352.479 -0.185 20 0 FBADRP CC[N@@H+]1CCCN(C(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000885149881 661599978 /nfs/dbraw/zinc/59/99/78/661599978.db2.gz DPILJKLBOSNIJI-OAHLLOKOSA-N 2 0 352.479 -0.185 20 0 FBADRP CN(C(=O)C(=O)NCCC(C)(C)[NH3+])[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000885195830 661600300 /nfs/dbraw/zinc/60/03/00/661600300.db2.gz PXBKURIHBMGIBE-HNNXBMFYSA-N 2 0 353.511 -0.143 20 0 FBADRP CN(C(=O)C(=O)NCCC(C)(C)[NH3+])[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000885195834 661600232 /nfs/dbraw/zinc/60/02/32/661600232.db2.gz PXBKURIHBMGIBE-OAHLLOKOSA-N 2 0 353.511 -0.143 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)NCCC(C)(C)[NH3+])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000885196725 661600260 /nfs/dbraw/zinc/60/02/60/661600260.db2.gz JOTXFAVFTNSFBF-CABCVRRESA-N 2 0 353.511 -0.286 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)NCCC(C)(C)[NH3+])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000885196726 661600325 /nfs/dbraw/zinc/60/03/25/661600325.db2.gz JOTXFAVFTNSFBF-GJZGRUSLSA-N 2 0 353.511 -0.286 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)NCCC(C)(C)[NH3+])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000885196727 661600135 /nfs/dbraw/zinc/60/01/35/661600135.db2.gz JOTXFAVFTNSFBF-HUUCEWRRSA-N 2 0 353.511 -0.286 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)NCCC(C)(C)[NH3+])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000885196728 661600219 /nfs/dbraw/zinc/60/02/19/661600219.db2.gz JOTXFAVFTNSFBF-LSDHHAIUSA-N 2 0 353.511 -0.286 20 0 FBADRP CN1CC[NH+](CC2CCN(C(=O)C(=O)NCCC(C)(C)[NH3+])CC2)CC1 ZINC000885199189 661600245 /nfs/dbraw/zinc/60/02/45/661600245.db2.gz QFGBOEZBHMSHPV-UHFFFAOYSA-N 2 0 353.511 -0.284 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCCC(C)(C)[NH3+])CC1 ZINC000885199239 661600100 /nfs/dbraw/zinc/60/01/00/661600100.db2.gz QRROARWVPVBNEA-UHFFFAOYSA-N 2 0 355.483 -0.757 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000885275441 661600895 /nfs/dbraw/zinc/60/08/95/661600895.db2.gz FKDBBSODOMJAKH-CYBMUJFWSA-N 3 0 363.453 -0.701 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000885275442 661600853 /nfs/dbraw/zinc/60/08/53/661600853.db2.gz FKDBBSODOMJAKH-ZDUSSCGKSA-N 3 0 363.453 -0.701 20 0 FBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000885280415 661600922 /nfs/dbraw/zinc/60/09/22/661600922.db2.gz OSMVVQDZCXSNNE-GFCCVEGCSA-N 2 0 350.410 -0.616 20 0 FBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000885280416 661600972 /nfs/dbraw/zinc/60/09/72/661600972.db2.gz OSMVVQDZCXSNNE-LBPRGKRZSA-N 2 0 350.410 -0.616 20 0 FBADRP C[NH+](C)CCN1C[C@H](C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)CC1=O ZINC000885870062 661604738 /nfs/dbraw/zinc/60/47/38/661604738.db2.gz YFMBONKZTHKGLE-GDBMZVCRSA-N 2 0 352.479 -0.234 20 0 FBADRP C[NH+](C)CCN1C[C@@H](C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)CC1=O ZINC000885870063 661604917 /nfs/dbraw/zinc/60/49/17/661604917.db2.gz YFMBONKZTHKGLE-GOEBONIOSA-N 2 0 352.479 -0.234 20 0 FBADRP C[NH+](C)CCN1C[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)CC1=O ZINC000885870064 661604906 /nfs/dbraw/zinc/60/49/06/661604906.db2.gz YFMBONKZTHKGLE-HOCLYGCPSA-N 2 0 352.479 -0.234 20 0 FBADRP C[NH+](C)CCN1C[C@H](C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)CC1=O ZINC000885870065 661604772 /nfs/dbraw/zinc/60/47/72/661604772.db2.gz YFMBONKZTHKGLE-ZBFHGGJFSA-N 2 0 352.479 -0.234 20 0 FBADRP COC(=O)N[C@H]1CC[NH+](CCOCC[N@H+]2CC[C@H](NC(=O)OC)C2)C1 ZINC000886856130 661616351 /nfs/dbraw/zinc/61/63/51/661616351.db2.gz HSQCVSSDKYJMQR-KBPBESRZSA-N 2 0 358.439 -0.136 20 0 FBADRP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])CC1 ZINC000887060982 661618246 /nfs/dbraw/zinc/61/82/46/661618246.db2.gz FVWQCXCYJSXIBN-HNNXBMFYSA-N 2 0 351.495 -0.435 20 0 FBADRP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])CC1 ZINC000887060983 661618391 /nfs/dbraw/zinc/61/83/91/661618391.db2.gz FVWQCXCYJSXIBN-OAHLLOKOSA-N 2 0 351.495 -0.435 20 0 FBADRP CCN(C(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1)[C@H]1CC[NH2+]C1 ZINC000887066337 661618295 /nfs/dbraw/zinc/61/82/95/661618295.db2.gz JRGJQNVMMQONLH-INIZCTEOSA-N 2 0 352.479 -0.232 20 0 FBADRP CCN(C(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1)[C@@H]1CC[NH2+]C1 ZINC000887066338 661618383 /nfs/dbraw/zinc/61/83/83/661618383.db2.gz JRGJQNVMMQONLH-MRXNPFEDSA-N 2 0 352.479 -0.232 20 0 FBADRP CCN(C(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1)[C@H]1CC[NH2+]C1 ZINC000887067025 661618621 /nfs/dbraw/zinc/61/86/21/661618621.db2.gz YJRCTVLGHCILRY-INIZCTEOSA-N 2 0 353.511 -0.319 20 0 FBADRP CCN(C(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1)[C@@H]1CC[NH2+]C1 ZINC000887067026 661618565 /nfs/dbraw/zinc/61/85/65/661618565.db2.gz YJRCTVLGHCILRY-MRXNPFEDSA-N 2 0 353.511 -0.319 20 0 FBADRP CCN(C(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)[C@@H]1CC[NH2+]C1 ZINC000887068435 661618640 /nfs/dbraw/zinc/61/86/40/661618640.db2.gz LKLDGGLCJOGCJB-CVEARBPZSA-N 2 0 351.495 -0.565 20 0 FBADRP CCN(C(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)[C@H]1CC[NH2+]C1 ZINC000887068436 661618595 /nfs/dbraw/zinc/61/85/95/661618595.db2.gz LKLDGGLCJOGCJB-HOTGVXAUSA-N 2 0 351.495 -0.565 20 0 FBADRP CCN(C(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)[C@@H]1CC[NH2+]C1 ZINC000887068437 661618708 /nfs/dbraw/zinc/61/87/08/661618708.db2.gz LKLDGGLCJOGCJB-HZPDHXFCSA-N 2 0 351.495 -0.565 20 0 FBADRP CCN(C(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)[C@H]1CC[NH2+]C1 ZINC000887068438 661618666 /nfs/dbraw/zinc/61/86/66/661618666.db2.gz LKLDGGLCJOGCJB-JKSUJKDBSA-N 2 0 351.495 -0.565 20 0 FBADRP CCN(C(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)[C@H]1CC[NH2+]C1 ZINC000887069125 661618991 /nfs/dbraw/zinc/61/89/91/661618991.db2.gz YKWZJJDXMOSBJN-CVEARBPZSA-N 2 0 352.479 -0.232 20 0 FBADRP CCN(C(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000887069126 661618922 /nfs/dbraw/zinc/61/89/22/661618922.db2.gz YKWZJJDXMOSBJN-HZPDHXFCSA-N 2 0 352.479 -0.232 20 0 FBADRP CCN(C(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1)[C@H]1CC[NH2+]C1 ZINC000887069219 661619073 /nfs/dbraw/zinc/61/90/73/661619073.db2.gz ZZGLRZWKLCFGOT-INIZCTEOSA-N 2 0 352.479 -0.232 20 0 FBADRP CCN(C(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1)[C@@H]1CC[NH2+]C1 ZINC000887069220 661619148 /nfs/dbraw/zinc/61/91/48/661619148.db2.gz ZZGLRZWKLCFGOT-MRXNPFEDSA-N 2 0 352.479 -0.232 20 0 FBADRP CCN(C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)[C@@H]1CC[NH2+]C1 ZINC000887070250 661619022 /nfs/dbraw/zinc/61/90/22/661619022.db2.gz JFJRQGOXQBANDW-BZUAXINKSA-N 3 0 353.511 -0.605 20 0 FBADRP CCN(C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)[C@H]1CC[NH2+]C1 ZINC000887070251 661619156 /nfs/dbraw/zinc/61/91/56/661619156.db2.gz JFJRQGOXQBANDW-OAGGEKHMSA-N 3 0 353.511 -0.605 20 0 FBADRP CCN(C(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)[C@H]1CC[NH2+]C1 ZINC000887071034 661618974 /nfs/dbraw/zinc/61/89/74/661618974.db2.gz YKWZJJDXMOSBJN-HOTGVXAUSA-N 2 0 352.479 -0.232 20 0 FBADRP CCN(C(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000887071035 661619091 /nfs/dbraw/zinc/61/90/91/661619091.db2.gz YKWZJJDXMOSBJN-JKSUJKDBSA-N 2 0 352.479 -0.232 20 0 FBADRP O=C(C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000887083020 661619497 /nfs/dbraw/zinc/61/94/97/661619497.db2.gz NJXOUIZLOABASP-DAYGRLMNSA-N 2 0 350.463 -0.744 20 0 FBADRP O=C(C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000887083021 661619332 /nfs/dbraw/zinc/61/93/32/661619332.db2.gz NJXOUIZLOABASP-HDMKZQKVSA-N 2 0 350.463 -0.744 20 0 FBADRP CN1CC[NH+](CC2CCN(C(=O)C(=O)N3CCC[C@@H]3C[NH3+])CC2)CC1 ZINC000887086477 661619731 /nfs/dbraw/zinc/61/97/31/661619731.db2.gz OPKGQINSHVITCY-MRXNPFEDSA-N 2 0 351.495 -0.578 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000887088123 661619864 /nfs/dbraw/zinc/61/98/64/661619864.db2.gz RGKSCPKRTBCMSL-ARFHVFGLSA-N 2 0 351.495 -0.580 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000887088124 661619870 /nfs/dbraw/zinc/61/98/70/661619870.db2.gz RGKSCPKRTBCMSL-BZUAXINKSA-N 2 0 351.495 -0.580 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000887088125 661619723 /nfs/dbraw/zinc/61/97/23/661619723.db2.gz RGKSCPKRTBCMSL-OAGGEKHMSA-N 2 0 351.495 -0.580 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000887088126 661619639 /nfs/dbraw/zinc/61/96/39/661619639.db2.gz RGKSCPKRTBCMSL-XHSDSOJGSA-N 2 0 351.495 -0.580 20 0 FBADRP CN(CCC[NH+](C)C)CCn1cc(CN2CCS(=O)(=O)CC2)nn1 ZINC000887422884 661620450 /nfs/dbraw/zinc/62/04/50/661620450.db2.gz CHHXEJYVLYEWEA-UHFFFAOYSA-N 2 0 358.512 -0.608 20 0 FBADRP CC(=O)N1CCN(Cc2cn(CCN(C)CCC[NH+](C)C)nn2)CC1 ZINC000887423526 661620468 /nfs/dbraw/zinc/62/04/68/661620468.db2.gz ZNZCARAYYBRAPS-UHFFFAOYSA-N 2 0 351.499 -0.174 20 0 FBADRP C[NH+]1CCC(C(=O)N[C@H]2COC[C@H]2NC(=O)C2CC[NH+](C)CC2)CC1 ZINC000888041240 661623396 /nfs/dbraw/zinc/62/33/96/661623396.db2.gz APFMGWGGSXPBDL-IYBDPMFKSA-N 2 0 352.479 -0.330 20 0 FBADRP C[NH+](C)CC1(C(=O)N[C@H]2COC[C@H]2NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC000888041288 661623355 /nfs/dbraw/zinc/62/33/55/661623355.db2.gz CGQJFJAEKIYLHF-OKILXGFUSA-N 2 0 352.479 -0.330 20 0 FBADRP C[NH+]1CC[C@H](CC(=O)N[C@H]2COC[C@H]2NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000888041504 661623383 /nfs/dbraw/zinc/62/33/83/661623383.db2.gz ILDOVVYJKVHGSP-FPCVCCKLSA-N 2 0 352.479 -0.330 20 0 FBADRP C[NH+]1CC[C@@H](CC(=O)N[C@H]2COC[C@H]2NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000888041505 661623460 /nfs/dbraw/zinc/62/34/60/661623460.db2.gz ILDOVVYJKVHGSP-GEEKYZPCSA-N 2 0 352.479 -0.330 20 0 FBADRP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2COC[C@@H]2NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000888041506 661623430 /nfs/dbraw/zinc/62/34/30/661623430.db2.gz ILDOVVYJKVHGSP-SYMSYNOKSA-N 2 0 352.479 -0.330 20 0 FBADRP C[NH+]1CC[C@@H](CC(=O)N[C@H]2COC[C@H]2NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000888041507 661623289 /nfs/dbraw/zinc/62/32/89/661623289.db2.gz ILDOVVYJKVHGSP-YHUYYLMFSA-N 2 0 352.479 -0.330 20 0 FBADRP CC[NH+](CC(=O)N[C@H]1COC[C@H]1NC(=O)C[N@@H+](CC)C1CC1)C1CC1 ZINC000888042014 661623444 /nfs/dbraw/zinc/62/34/44/661623444.db2.gz PAHXRPHIYRYXEA-IYBDPMFKSA-N 2 0 352.479 -0.045 20 0 FBADRP C[NH+](CC(=O)N[C@H]1COC[C@H]1NC(=O)C[N@@H+](C)C1CCC1)C1CCC1 ZINC000888042024 661623312 /nfs/dbraw/zinc/62/33/12/661623312.db2.gz PBCVGNUGHSQWQF-IYBDPMFKSA-N 2 0 352.479 -0.045 20 0 FBADRP C[C@@H]1[C@H](C(=O)N[C@H]2COC[C@H]2NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC[NH+]1C ZINC000888042803 661623452 /nfs/dbraw/zinc/62/34/52/661623452.db2.gz ZMUBQXVOBIAOIU-SJJUBHFPSA-N 2 0 352.479 -0.333 20 0 FBADRP C[NH+](C)CCN1C[C@H](C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)CC1=O ZINC000889771276 661625161 /nfs/dbraw/zinc/62/51/61/661625161.db2.gz ZELDIJUYKPFJQP-BZUAXINKSA-N 2 0 352.479 -0.546 20 0 FBADRP C[NH+](C)CCN1C[C@H](C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CC1=O ZINC000889771277 661625348 /nfs/dbraw/zinc/62/53/48/661625348.db2.gz ZELDIJUYKPFJQP-OAGGEKHMSA-N 2 0 352.479 -0.546 20 0 FBADRP C[NH+](C)CCN1C[C@H](C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)CC1=O ZINC000889771278 661625120 /nfs/dbraw/zinc/62/51/20/661625120.db2.gz ZELDIJUYKPFJQP-OWCLPIDISA-N 2 0 352.479 -0.546 20 0 FBADRP C[NH+](C)CCN1C[C@H](C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)CC1=O ZINC000889771279 661625205 /nfs/dbraw/zinc/62/52/05/661625205.db2.gz ZELDIJUYKPFJQP-PMPSAXMXSA-N 2 0 352.479 -0.546 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)N[C@H]2C[C@H](S(C)(=O)=O)C2)C[C@H]1C[NH+](C)C ZINC000890163168 661627455 /nfs/dbraw/zinc/62/74/55/661627455.db2.gz XEJXWSDVNAGGNW-KBUPBQIOSA-N 2 0 360.524 -0.057 20 0 FBADRP C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000890493559 661628232 /nfs/dbraw/zinc/62/82/32/661628232.db2.gz ZKZZOTYVADPFBY-TUVASFSCSA-N 2 0 360.524 -0.200 20 0 FBADRP CN(C)S(=O)(=O)C1(CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000891049759 657321588 /nfs/dbraw/zinc/32/15/88/657321588.db2.gz LIXWXUZIBFJKSR-UHFFFAOYSA-N 2 0 363.528 -0.455 20 0 FBADRP COCC[N@H+](C)CCNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891493665 657446650 /nfs/dbraw/zinc/44/66/50/657446650.db2.gz XSGSYYLTZFWFTE-MCIONIFRSA-N 2 0 355.439 -0.859 20 0 FBADRP COCC[N@H+](C)CCNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891493666 657446731 /nfs/dbraw/zinc/44/67/31/657446731.db2.gz XSGSYYLTZFWFTE-MJBXVCDLSA-N 2 0 355.439 -0.859 20 0 FBADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000891563375 657448994 /nfs/dbraw/zinc/44/89/94/657448994.db2.gz FABVCSSEKWCURK-BRWVUGGUSA-N 2 0 351.495 -0.071 20 0 FBADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000891563376 657449066 /nfs/dbraw/zinc/44/90/66/657449066.db2.gz FABVCSSEKWCURK-IKGGRYGDSA-N 2 0 351.495 -0.071 20 0 FBADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000891563377 657448973 /nfs/dbraw/zinc/44/89/73/657448973.db2.gz FABVCSSEKWCURK-IXDOHACOSA-N 2 0 351.495 -0.071 20 0 FBADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000891563378 657449039 /nfs/dbraw/zinc/44/90/39/657449039.db2.gz FABVCSSEKWCURK-ZACQAIPSSA-N 2 0 351.495 -0.071 20 0 FBADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000891564999 657448862 /nfs/dbraw/zinc/44/88/62/657448862.db2.gz OBTXZEVFLSNDCK-JFIYKMOQSA-N 2 0 351.495 -0.023 20 0 FBADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000891565000 657448985 /nfs/dbraw/zinc/44/89/85/657448985.db2.gz OBTXZEVFLSNDCK-NUJGCVRESA-N 2 0 351.495 -0.023 20 0 FBADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000891565001 657449076 /nfs/dbraw/zinc/44/90/76/657449076.db2.gz OBTXZEVFLSNDCK-RYRKJORJSA-N 2 0 351.495 -0.023 20 0 FBADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000891565002 657449004 /nfs/dbraw/zinc/44/90/04/657449004.db2.gz OBTXZEVFLSNDCK-SOLBZPMBSA-N 2 0 351.495 -0.023 20 0 FBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)N[C@@H]1CC[N@H+](CCN3CCOCC3)C1)C2 ZINC000891566220 657449017 /nfs/dbraw/zinc/44/90/17/657449017.db2.gz SPDSDPJSPUKDRT-LZLYRXPVSA-N 2 0 351.495 -0.356 20 0 FBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)N[C@H]1CC[N@H+](CCN3CCOCC3)C1)C2 ZINC000891566224 657449140 /nfs/dbraw/zinc/44/91/40/657449140.db2.gz SPDSDPJSPUKDRT-XYJFISCASA-N 2 0 351.495 -0.356 20 0 FBADRP CN1CCN(C(=O)NC2CCN(CC[NH+](C)C)CC2)CC[N@H+](C)CC1 ZINC000891806015 657469381 /nfs/dbraw/zinc/46/93/81/657469381.db2.gz UMJLRAWXLPNZEN-UHFFFAOYSA-N 2 0 354.543 -0.099 20 0 FBADRP C[NH+](C)CCOCCNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891840655 657472481 /nfs/dbraw/zinc/47/24/81/657472481.db2.gz AVRRHILJHGOYLR-MCIONIFRSA-N 2 0 355.439 -0.859 20 0 FBADRP C[NH+](C)CCOCCNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891840657 657472126 /nfs/dbraw/zinc/47/21/26/657472126.db2.gz AVRRHILJHGOYLR-MJBXVCDLSA-N 2 0 355.439 -0.859 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)NCCCN2CC[NH2+]CC2)C[C@H]1C[NH+](C)C ZINC000891969094 657492758 /nfs/dbraw/zinc/49/27/58/657492758.db2.gz SCVOVNKPODREBY-IAGOWNOFSA-N 3 0 354.543 -0.338 20 0 FBADRP COCCN(CC1CC[NH+](C)CC1)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000891970540 657492534 /nfs/dbraw/zinc/49/25/34/657492534.db2.gz LTMGJCFKXFLLGL-UHFFFAOYSA-N 2 0 355.483 -0.582 20 0 FBADRP C[C@H](NC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)[C@H]1CCC[NH2+]C1 ZINC000891983174 657495631 /nfs/dbraw/zinc/49/56/31/657495631.db2.gz ZKNHSSFYURLLFX-AHDPXTMNSA-N 2 0 351.451 -0.049 20 0 FBADRP C[C@H](NC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)[C@@H]1CCC[NH2+]C1 ZINC000891983175 657495296 /nfs/dbraw/zinc/49/52/96/657495296.db2.gz ZKNHSSFYURLLFX-JARUQAPTSA-N 2 0 351.451 -0.049 20 0 FBADRP C[C@H](NC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)[C@H]1CCC[NH2+]C1 ZINC000891983176 657495097 /nfs/dbraw/zinc/49/50/97/657495097.db2.gz ZKNHSSFYURLLFX-LXFSFDBISA-N 2 0 351.451 -0.049 20 0 FBADRP C[C@H](NC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)[C@@H]1CCC[NH2+]C1 ZINC000891983177 657495461 /nfs/dbraw/zinc/49/54/61/657495461.db2.gz ZKNHSSFYURLLFX-ZQNQSHIBSA-N 2 0 351.451 -0.049 20 0 FBADRP CC1(CNC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC[NH2+]CC1 ZINC000892055189 657506225 /nfs/dbraw/zinc/50/62/25/657506225.db2.gz ZZCBXKGAXRGXNM-MCIONIFRSA-N 2 0 351.451 -0.047 20 0 FBADRP CC1(CNC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC[NH2+]CC1 ZINC000892055190 657506247 /nfs/dbraw/zinc/50/62/47/657506247.db2.gz ZZCBXKGAXRGXNM-MJBXVCDLSA-N 2 0 351.451 -0.047 20 0 FBADRP COCC[NH2+]CCNC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892055205 657506370 /nfs/dbraw/zinc/50/63/70/657506370.db2.gz IFLBCPVNHVSUED-INIZCTEOSA-N 2 0 357.499 -0.682 20 0 FBADRP COCC[NH2+]CCNC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892055208 657506290 /nfs/dbraw/zinc/50/62/90/657506290.db2.gz IFLBCPVNHVSUED-MRXNPFEDSA-N 2 0 357.499 -0.682 20 0 FBADRP C[C@]1(CNC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CCC[NH2+]C1 ZINC000892056309 657505918 /nfs/dbraw/zinc/50/59/18/657505918.db2.gz AZLJFTUWHYHEGR-LOUJCGABSA-N 2 0 351.451 -0.047 20 0 FBADRP C[C@@]1(CNC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CCC[NH2+]C1 ZINC000892056310 657506007 /nfs/dbraw/zinc/50/60/07/657506007.db2.gz AZLJFTUWHYHEGR-QDEZUTFSSA-N 2 0 351.451 -0.047 20 0 FBADRP C[C@@]1(CNC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CCC[NH2+]C1 ZINC000892056311 657506271 /nfs/dbraw/zinc/50/62/71/657506271.db2.gz AZLJFTUWHYHEGR-VWPFQQQWSA-N 2 0 351.451 -0.047 20 0 FBADRP C[C@]1(CNC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CCC[NH2+]C1 ZINC000892056312 657506402 /nfs/dbraw/zinc/50/64/02/657506402.db2.gz AZLJFTUWHYHEGR-WVZRYYJFSA-N 2 0 351.451 -0.047 20 0 FBADRP COCC[NH2+]CCNC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000892056484 657507100 /nfs/dbraw/zinc/50/71/00/657507100.db2.gz SPSRLTGYIZCBQS-UHFFFAOYSA-N 2 0 355.483 -0.262 20 0 FBADRP O=C(N[C@H]1C[NH2+]CCC1(F)F)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892157292 657511404 /nfs/dbraw/zinc/51/14/04/657511404.db2.gz XAPVDVSVUOAEKE-USZNOCQGSA-N 2 0 359.377 -0.440 20 0 FBADRP O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892157293 657511753 /nfs/dbraw/zinc/51/17/53/657511753.db2.gz XAPVDVSVUOAEKE-WHOHXGKFSA-N 2 0 359.377 -0.440 20 0 FBADRP O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892157294 657511698 /nfs/dbraw/zinc/51/16/98/657511698.db2.gz XAPVDVSVUOAEKE-WISYIIOYSA-N 2 0 359.377 -0.440 20 0 FBADRP O=C(N[C@H]1C[NH2+]CCC1(F)F)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892157295 657511599 /nfs/dbraw/zinc/51/15/99/657511599.db2.gz XAPVDVSVUOAEKE-WYUUTHIRSA-N 2 0 359.377 -0.440 20 0 FBADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000892183362 657514964 /nfs/dbraw/zinc/51/49/64/657514964.db2.gz GKHKSTRYRWDSCH-AWEZNQCLSA-N 2 0 353.467 -0.510 20 0 FBADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000892183363 657514585 /nfs/dbraw/zinc/51/45/85/657514585.db2.gz GKHKSTRYRWDSCH-CQSZACIVSA-N 2 0 353.467 -0.510 20 0 FBADRP O=C(NC[C@@H]1C[NH2+]CCO1)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892188029 657515710 /nfs/dbraw/zinc/51/57/10/657515710.db2.gz DOJKVCHFUYDYNH-CVEARBPZSA-N 2 0 355.483 -0.929 20 0 FBADRP O=C(NC[C@@H]1C[NH2+]CCO1)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892188030 657515742 /nfs/dbraw/zinc/51/57/42/657515742.db2.gz DOJKVCHFUYDYNH-HOTGVXAUSA-N 2 0 355.483 -0.929 20 0 FBADRP O=C(NC[C@H]1C[NH2+]CCO1)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892188031 657515847 /nfs/dbraw/zinc/51/58/47/657515847.db2.gz DOJKVCHFUYDYNH-HZPDHXFCSA-N 2 0 355.483 -0.929 20 0 FBADRP O=C(NC[C@H]1C[NH2+]CCO1)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892188032 657515800 /nfs/dbraw/zinc/51/58/00/657515800.db2.gz DOJKVCHFUYDYNH-JKSUJKDBSA-N 2 0 355.483 -0.929 20 0 FBADRP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCC[N@H+](C)CCO ZINC000892221478 657521165 /nfs/dbraw/zinc/52/11/65/657521165.db2.gz XVOUPFGEDJGCOY-UHFFFAOYSA-N 2 0 352.435 -0.264 20 0 FBADRP O=C(NCCC1CC[NH2+]CC1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892233947 657522340 /nfs/dbraw/zinc/52/23/40/657522340.db2.gz ZAMAHGFVYKZZBR-KFWWJZLASA-N 2 0 351.451 -0.047 20 0 FBADRP O=C(NCCC1CC[NH2+]CC1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892233948 657521835 /nfs/dbraw/zinc/52/18/35/657521835.db2.gz ZAMAHGFVYKZZBR-ZNMIVQPWSA-N 2 0 351.451 -0.047 20 0 FBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000892236128 657522110 /nfs/dbraw/zinc/52/21/10/657522110.db2.gz JRENQJMCSLMAHS-AHDPXTMNSA-N 2 0 351.451 -0.097 20 0 FBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000892236129 657522306 /nfs/dbraw/zinc/52/23/06/657522306.db2.gz JRENQJMCSLMAHS-QMIVOQANSA-N 2 0 351.451 -0.097 20 0 FBADRP O=C(NCC12CC(C1)C[NH2+]2)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892260887 657530256 /nfs/dbraw/zinc/53/02/56/657530256.db2.gz GAQRFZAZACZZFZ-PQUAAJSLSA-N 2 0 351.495 -0.166 20 0 FBADRP O=C(NCC12CC(C1)C[NH2+]2)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892260889 657529836 /nfs/dbraw/zinc/52/98/36/657529836.db2.gz GAQRFZAZACZZFZ-UPTPFMHGSA-N 2 0 351.495 -0.166 20 0 FBADRP C[NH2+]CCOCCNC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000892280308 657548670 /nfs/dbraw/zinc/54/86/70/657548670.db2.gz JQOQBZMWYYVCHG-UHFFFAOYSA-N 2 0 355.483 -0.262 20 0 FBADRP C[NH2+]CCOCCNC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892281639 657550262 /nfs/dbraw/zinc/55/02/62/657550262.db2.gz SLGANHGXPHRBGV-INIZCTEOSA-N 2 0 357.499 -0.682 20 0 FBADRP C[NH2+]CCOCCNC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892281640 657550301 /nfs/dbraw/zinc/55/03/01/657550301.db2.gz SLGANHGXPHRBGV-MRXNPFEDSA-N 2 0 357.499 -0.682 20 0 FBADRP O=C(NC[C@H]1COCC[NH2+]1)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892286927 657550931 /nfs/dbraw/zinc/55/09/31/657550931.db2.gz CVJDLNRALABTJH-CVEARBPZSA-N 2 0 355.483 -0.929 20 0 FBADRP O=C(NC[C@H]1COCC[NH2+]1)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892286928 657551506 /nfs/dbraw/zinc/55/15/06/657551506.db2.gz CVJDLNRALABTJH-HOTGVXAUSA-N 2 0 355.483 -0.929 20 0 FBADRP O=C(NC[C@@H]1COCC[NH2+]1)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892286929 657551039 /nfs/dbraw/zinc/55/10/39/657551039.db2.gz CVJDLNRALABTJH-HZPDHXFCSA-N 2 0 355.483 -0.929 20 0 FBADRP O=C(NC[C@@H]1COCC[NH2+]1)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892286930 657551085 /nfs/dbraw/zinc/55/10/85/657551085.db2.gz CVJDLNRALABTJH-JKSUJKDBSA-N 2 0 355.483 -0.929 20 0 FBADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000892290320 657550819 /nfs/dbraw/zinc/55/08/19/657550819.db2.gz QDAMCRLRWMXIDY-AWEZNQCLSA-N 2 0 353.467 -0.510 20 0 FBADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000892290322 657551535 /nfs/dbraw/zinc/55/15/35/657551535.db2.gz QDAMCRLRWMXIDY-CQSZACIVSA-N 2 0 353.467 -0.510 20 0 FBADRP [NH3+]CCCOCCNC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892293153 657552291 /nfs/dbraw/zinc/55/22/91/657552291.db2.gz RFUZYPQNOIXKCL-INIZCTEOSA-N 2 0 357.499 -0.552 20 0 FBADRP [NH3+]CCCOCCNC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892293156 657552685 /nfs/dbraw/zinc/55/26/85/657552685.db2.gz RFUZYPQNOIXKCL-MRXNPFEDSA-N 2 0 357.499 -0.552 20 0 FBADRP [NH3+]C[C@H]1CC[C@H](NC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CC1 ZINC000892434761 658070381 /nfs/dbraw/zinc/07/03/81/658070381.db2.gz OSLNQSDMFVAFRD-SHTZXODSSA-N 2 0 352.483 -0.144 20 0 FBADRP [NH3+]CC12CCC(CC1)N2C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000892456307 658112161 /nfs/dbraw/zinc/11/21/61/658112161.db2.gz JQKDLCRDPJHSGC-UHFFFAOYSA-N 2 0 350.467 -0.295 20 0 FBADRP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000892755736 658545372 /nfs/dbraw/zinc/54/53/72/658545372.db2.gz KCDOILUUWPTUEL-CVEARBPZSA-N 2 0 351.495 -0.166 20 0 FBADRP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000892755737 658545486 /nfs/dbraw/zinc/54/54/86/658545486.db2.gz KCDOILUUWPTUEL-HOTGVXAUSA-N 2 0 351.495 -0.166 20 0 FBADRP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000892755738 658545199 /nfs/dbraw/zinc/54/51/99/658545199.db2.gz KCDOILUUWPTUEL-HZPDHXFCSA-N 2 0 351.495 -0.166 20 0 FBADRP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000892755739 658545473 /nfs/dbraw/zinc/54/54/73/658545473.db2.gz KCDOILUUWPTUEL-JKSUJKDBSA-N 2 0 351.495 -0.166 20 0 FBADRP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000892756717 658545289 /nfs/dbraw/zinc/54/52/89/658545289.db2.gz QSRRUNBYVPAKER-CVEARBPZSA-N 2 0 351.495 -0.166 20 0 FBADRP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000892756718 658545387 /nfs/dbraw/zinc/54/53/87/658545387.db2.gz QSRRUNBYVPAKER-HOTGVXAUSA-N 2 0 351.495 -0.166 20 0 FBADRP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000892756719 658545241 /nfs/dbraw/zinc/54/52/41/658545241.db2.gz QSRRUNBYVPAKER-HZPDHXFCSA-N 2 0 351.495 -0.166 20 0 FBADRP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000892756720 658545421 /nfs/dbraw/zinc/54/54/21/658545421.db2.gz QSRRUNBYVPAKER-JKSUJKDBSA-N 2 0 351.495 -0.166 20 0 FBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000892870649 658558247 /nfs/dbraw/zinc/55/82/47/658558247.db2.gz GXXHIZFVRXFQOL-BRWVUGGUSA-N 2 0 353.511 -0.137 20 0 FBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000892870650 658558421 /nfs/dbraw/zinc/55/84/21/658558421.db2.gz GXXHIZFVRXFQOL-IKGGRYGDSA-N 2 0 353.511 -0.137 20 0 FBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000892870651 658558615 /nfs/dbraw/zinc/55/86/15/658558615.db2.gz GXXHIZFVRXFQOL-IXDOHACOSA-N 2 0 353.511 -0.137 20 0 FBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000892870652 658558776 /nfs/dbraw/zinc/55/87/76/658558776.db2.gz GXXHIZFVRXFQOL-ZACQAIPSSA-N 2 0 353.511 -0.137 20 0 FBADRP C[N@H+]1C[C@H]2CN(C(=O)NC3CCN(CCS(C)(=O)=O)CC3)C[C@H]2C1 ZINC000892928934 658559477 /nfs/dbraw/zinc/55/94/77/658559477.db2.gz CJJJSZYXIKKYBJ-OKILXGFUSA-N 2 0 358.508 -0.302 20 0 FBADRP CCC1([NH3+])CCN(C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CC1 ZINC000892935341 658564507 /nfs/dbraw/zinc/56/45/07/658564507.db2.gz RAAOULIMUQNRFE-UHFFFAOYSA-N 2 0 352.483 -0.048 20 0 FBADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)NCC[NH+]3CCC(O)CC3)C2)CC1 ZINC000893022866 658645920 /nfs/dbraw/zinc/64/59/20/658645920.db2.gz NTVGGLPMSBVACC-HNNXBMFYSA-N 2 0 353.511 -0.089 20 0 FBADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)NCC[NH+]3CCC(O)CC3)C2)CC1 ZINC000893022872 658646041 /nfs/dbraw/zinc/64/60/41/658646041.db2.gz NTVGGLPMSBVACC-OAHLLOKOSA-N 2 0 353.511 -0.089 20 0 FBADRP C[N@H+]1C[C@H]2CN(C(=O)N[C@H]3CC[NH+](CCN4CCOCC4)C3)C[C@H]2C1 ZINC000893053964 658648984 /nfs/dbraw/zinc/64/89/84/658648984.db2.gz SPVYLGZPXHWBBE-BBWFWOEESA-N 2 0 351.495 -0.404 20 0 FBADRP C[N@H+]1C[C@H]2CN(C(=O)N[C@@H]3CC[NH+](CCN4CCOCC4)C3)C[C@H]2C1 ZINC000893053966 658649199 /nfs/dbraw/zinc/64/91/99/658649199.db2.gz SPVYLGZPXHWBBE-IXDOHACOSA-N 2 0 351.495 -0.404 20 0 FBADRP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000893054710 658647614 /nfs/dbraw/zinc/64/76/14/658647614.db2.gz YSMQTHGVMROUJG-BBWFWOEESA-N 2 0 351.495 -0.262 20 0 FBADRP C[N@@H+]1C[C@@H]2CCN(C(=O)N[C@@H]3CC[NH+](CCN4CCOCC4)C3)[C@@H]2C1 ZINC000893054715 658647226 /nfs/dbraw/zinc/64/72/26/658647226.db2.gz YSMQTHGVMROUJG-GVDBMIGSSA-N 2 0 351.495 -0.262 20 0 FBADRP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000893054718 658647414 /nfs/dbraw/zinc/64/74/14/658647414.db2.gz YSMQTHGVMROUJG-ULQDDVLXSA-N 2 0 351.495 -0.262 20 0 FBADRP C[N@@H+]1C[C@@H]2CCN(C(=O)N[C@H]3CC[NH+](CCN4CCOCC4)C3)[C@@H]2C1 ZINC000893054720 658647357 /nfs/dbraw/zinc/64/73/57/658647357.db2.gz YSMQTHGVMROUJG-YESZJQIVSA-N 2 0 351.495 -0.262 20 0 FBADRP C[C@@H](CNC(=O)N1CCN(C)CC[N@H+](C)CC1)C[NH+]1CCN(C)CC1 ZINC000893238025 658660899 /nfs/dbraw/zinc/66/08/99/658660899.db2.gz RDQGWEWJVLTLQZ-KRWDZBQOSA-N 2 0 354.543 -0.241 20 0 FBADRP C[C@H](CNC(=O)N1CCN(C)CC[N@H+](C)CC1)C[NH+]1CCN(C)CC1 ZINC000893238029 658661358 /nfs/dbraw/zinc/66/13/58/658661358.db2.gz RDQGWEWJVLTLQZ-QGZVFWFLSA-N 2 0 354.543 -0.241 20 0 FBADRP CN1CCN(C(=O)NCCN2CCC([NH+](C)C)CC2)CC[N@H+](C)CC1 ZINC000893864507 658916502 /nfs/dbraw/zinc/91/65/02/658916502.db2.gz AXXNGIGPFYGYDH-UHFFFAOYSA-N 2 0 354.543 -0.099 20 0 FBADRP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC000894494101 658981015 /nfs/dbraw/zinc/98/10/15/658981015.db2.gz CBVQXTIGKVLRRG-NSHDSACASA-N 2 0 351.455 -0.356 20 0 FBADRP CN1CCN(C(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)CC[N@H+](C)CC1 ZINC000895968193 659042358 /nfs/dbraw/zinc/04/23/58/659042358.db2.gz JJTRZDQHBGULBK-HNNXBMFYSA-N 2 0 354.499 -0.785 20 0 FBADRP NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC1 ZINC000896008198 659042657 /nfs/dbraw/zinc/04/26/57/659042657.db2.gz BMEKYWUCKSBBMV-CVEARBPZSA-N 2 0 350.463 -0.352 20 0 FBADRP NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)CC1 ZINC000896008205 659042763 /nfs/dbraw/zinc/04/27/63/659042763.db2.gz BMEKYWUCKSBBMV-HOTGVXAUSA-N 2 0 350.463 -0.352 20 0 FBADRP NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC1 ZINC000896008210 659043057 /nfs/dbraw/zinc/04/30/57/659043057.db2.gz BMEKYWUCKSBBMV-HZPDHXFCSA-N 2 0 350.463 -0.352 20 0 FBADRP NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)CC1 ZINC000896008212 659042850 /nfs/dbraw/zinc/04/28/50/659042850.db2.gz BMEKYWUCKSBBMV-JKSUJKDBSA-N 2 0 350.463 -0.352 20 0 FBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000896073050 659045837 /nfs/dbraw/zinc/04/58/37/659045837.db2.gz MSQLBRNAYZVZRT-CVEARBPZSA-N 2 0 352.479 -0.234 20 0 FBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000896073051 659046113 /nfs/dbraw/zinc/04/61/13/659046113.db2.gz MSQLBRNAYZVZRT-HOTGVXAUSA-N 2 0 352.479 -0.234 20 0 FBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000896073052 659046016 /nfs/dbraw/zinc/04/60/16/659046016.db2.gz MSQLBRNAYZVZRT-HZPDHXFCSA-N 2 0 352.479 -0.234 20 0 FBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000896073053 659045656 /nfs/dbraw/zinc/04/56/56/659045656.db2.gz MSQLBRNAYZVZRT-JKSUJKDBSA-N 2 0 352.479 -0.234 20 0 FBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C2C[NH+](C3CCOCC3)C2)C1 ZINC000896087191 659045725 /nfs/dbraw/zinc/04/57/25/659045725.db2.gz CXFGXMBQBGMXDI-AWEZNQCLSA-N 2 0 352.479 -0.199 20 0 FBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C2C[NH+](C3CCOCC3)C2)C1 ZINC000896087193 659046102 /nfs/dbraw/zinc/04/61/02/659046102.db2.gz CXFGXMBQBGMXDI-CQSZACIVSA-N 2 0 352.479 -0.199 20 0 FBADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)CC1 ZINC000896157436 659047308 /nfs/dbraw/zinc/04/73/08/659047308.db2.gz QHLKCROUWGBZIJ-INIZCTEOSA-N 2 0 350.463 -0.526 20 0 FBADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC1 ZINC000896157464 659047095 /nfs/dbraw/zinc/04/70/95/659047095.db2.gz QHLKCROUWGBZIJ-MRXNPFEDSA-N 2 0 350.463 -0.526 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)CC1 ZINC000896163118 659047438 /nfs/dbraw/zinc/04/74/38/659047438.db2.gz KCMPLZBVYMRTGA-INIZCTEOSA-N 2 0 352.479 -0.280 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC1 ZINC000896163119 659047271 /nfs/dbraw/zinc/04/72/71/659047271.db2.gz KCMPLZBVYMRTGA-MRXNPFEDSA-N 2 0 352.479 -0.280 20 0 FBADRP CC(C)C[C@H](NC(=O)C1C[NH+]([C@@H]2CCOC2)C1)C(=O)NCC[NH+](C)C ZINC000897240455 659875754 /nfs/dbraw/zinc/87/57/54/659875754.db2.gz INMCNCMJSGTKQJ-CVEARBPZSA-N 2 0 354.495 -0.084 20 0 FBADRP CC(C)C[C@H](NC(=O)C1C[NH+]([C@H]2CCOC2)C1)C(=O)NCC[NH+](C)C ZINC000897240456 659875819 /nfs/dbraw/zinc/87/58/19/659875819.db2.gz INMCNCMJSGTKQJ-HOTGVXAUSA-N 2 0 354.495 -0.084 20 0 FBADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)NC[C@@H]1C[C@H](O)C[NH+]1C ZINC000897464154 659945895 /nfs/dbraw/zinc/94/58/95/659945895.db2.gz LNHJJHZFECEPCE-PMPSAXMXSA-N 2 0 354.495 -0.062 20 0 FBADRP CCN1CC[C@H]1CNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000897668866 659972151 /nfs/dbraw/zinc/97/21/51/659972151.db2.gz NCQHUGHYDMVRSS-HNNXBMFYSA-N 2 0 352.479 -0.042 20 0 FBADRP CCN1CC[C@@H]1CNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000897668867 659972112 /nfs/dbraw/zinc/97/21/12/659972112.db2.gz NCQHUGHYDMVRSS-OAHLLOKOSA-N 2 0 352.479 -0.042 20 0 FBADRP CN1CC[C@H]([NH+]2CCC(NC(=O)C3C[NH+]([C@@H]4CCOC4)C3)CC2)C1=O ZINC000897757631 659973124 /nfs/dbraw/zinc/97/31/24/659973124.db2.gz ZOXYIWLDZUJXGM-CVEARBPZSA-N 2 0 350.463 -0.482 20 0 FBADRP CN1CC[C@H]([NH+]2CCC(NC(=O)C3C[NH+]([C@H]4CCOC4)C3)CC2)C1=O ZINC000897757632 659973166 /nfs/dbraw/zinc/97/31/66/659973166.db2.gz ZOXYIWLDZUJXGM-HOTGVXAUSA-N 2 0 350.463 -0.482 20 0 FBADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)C3C[NH+]([C@@H]4CCOC4)C3)CC2)C1=O ZINC000897757633 659973266 /nfs/dbraw/zinc/97/32/66/659973266.db2.gz ZOXYIWLDZUJXGM-HZPDHXFCSA-N 2 0 350.463 -0.482 20 0 FBADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)C3C[NH+]([C@H]4CCOC4)C3)CC2)C1=O ZINC000897757634 659973273 /nfs/dbraw/zinc/97/32/73/659973273.db2.gz ZOXYIWLDZUJXGM-JKSUJKDBSA-N 2 0 350.463 -0.482 20 0 FBADRP O=C(CNC(=O)C1C[NH+]([C@H]2CCOC2)C1)NCC[NH+]1CCCCCC1 ZINC000897838189 659974402 /nfs/dbraw/zinc/97/44/02/659974402.db2.gz RDVKJOWZHUAUFO-INIZCTEOSA-N 2 0 352.479 -0.185 20 0 FBADRP O=C(CNC(=O)C1C[NH+]([C@@H]2CCOC2)C1)NCC[NH+]1CCCCCC1 ZINC000897838190 659974383 /nfs/dbraw/zinc/97/43/83/659974383.db2.gz RDVKJOWZHUAUFO-MRXNPFEDSA-N 2 0 352.479 -0.185 20 0 FBADRP O=C(C1C[NH+]([C@H]2CCOC2)C1)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000897928421 659975016 /nfs/dbraw/zinc/97/50/16/659975016.db2.gz ZOLGIWCKFCSNMX-CVEARBPZSA-N 2 0 350.463 -0.480 20 0 FBADRP O=C(C1C[NH+]([C@H]2CCOC2)C1)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000897928422 659975038 /nfs/dbraw/zinc/97/50/38/659975038.db2.gz ZOLGIWCKFCSNMX-HOTGVXAUSA-N 2 0 350.463 -0.480 20 0 FBADRP O=C(C1C[NH+]([C@@H]2CCOC2)C1)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000897928423 659974934 /nfs/dbraw/zinc/97/49/34/659974934.db2.gz ZOLGIWCKFCSNMX-HZPDHXFCSA-N 2 0 350.463 -0.480 20 0 FBADRP O=C(C1C[NH+]([C@@H]2CCOC2)C1)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000897928424 659974988 /nfs/dbraw/zinc/97/49/88/659974988.db2.gz ZOLGIWCKFCSNMX-JKSUJKDBSA-N 2 0 350.463 -0.480 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCS(=O)(=O)N1CCCC1 ZINC000897960371 659975967 /nfs/dbraw/zinc/97/59/67/659975967.db2.gz ROOAKCIOBMRJDK-UHFFFAOYSA-N 2 0 363.528 -0.453 20 0 FBADRP C[NH+]1CCC[C@H]1C(=O)N1CCC(O)(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000897991431 659976830 /nfs/dbraw/zinc/97/68/30/659976830.db2.gz GUYPJHGUIWPZLF-GJZGRUSLSA-N 2 0 352.479 -0.356 20 0 FBADRP C[NH+]1CCC[C@@H]1C(=O)N1CCC(O)(CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000897991432 659976769 /nfs/dbraw/zinc/97/67/69/659976769.db2.gz GUYPJHGUIWPZLF-HUUCEWRRSA-N 2 0 352.479 -0.356 20 0 FBADRP O=C(COCC(=O)N1CC([NH+]2CCCC2)C1)N1CC([NH+]2CCCC2)C1 ZINC000898605523 659991288 /nfs/dbraw/zinc/99/12/88/659991288.db2.gz ADSNWIQRLJXCJQ-UHFFFAOYSA-N 2 0 350.463 -0.384 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCCn1ccc(=O)[nH]c1=O ZINC000899026262 659994369 /nfs/dbraw/zinc/99/43/69/659994369.db2.gz DDFWZRKZOIVJER-UHFFFAOYSA-N 2 0 354.455 -0.526 20 0 FBADRP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCN(CC[NH+](C)C)CC2)C1 ZINC000900009233 662271721 /nfs/dbraw/zinc/27/17/21/662271721.db2.gz GYPHZBOJQKAKFT-INIZCTEOSA-N 2 0 354.495 -0.033 20 0 FBADRP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCN(CC[NH+](C)C)CC2)C1 ZINC000900009235 662271548 /nfs/dbraw/zinc/27/15/48/662271548.db2.gz GYPHZBOJQKAKFT-MRXNPFEDSA-N 2 0 354.495 -0.033 20 0 FBADRP CC(C)[NH+]1CCN(CCC(=O)N2CCN(C(=O)C[NH+](C)C)CC2)CC1 ZINC000900170773 662274510 /nfs/dbraw/zinc/27/45/10/662274510.db2.gz BXMGHGQFSNAAEM-UHFFFAOYSA-N 2 0 353.511 -0.365 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C1CN(S(C)(=O)=O)C1 ZINC000900482302 662279410 /nfs/dbraw/zinc/27/94/10/662279410.db2.gz ZGEIULGAMKNYHY-HNNXBMFYSA-N 2 0 360.524 -0.248 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C1CN(S(C)(=O)=O)C1 ZINC000900482303 662279566 /nfs/dbraw/zinc/27/95/66/662279566.db2.gz ZGEIULGAMKNYHY-OAHLLOKOSA-N 2 0 360.524 -0.248 20 0 FBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C[C@]1(O)CCC[NH+](C)C1 ZINC000900496719 662279801 /nfs/dbraw/zinc/27/98/01/662279801.db2.gz JIMZGHWEVADJIU-CRAIPNDOSA-N 2 0 354.495 -0.108 20 0 FBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C[C@]1(O)CCC[NH+](C)C1 ZINC000900496720 662279998 /nfs/dbraw/zinc/27/99/98/662279998.db2.gz JIMZGHWEVADJIU-MAUKXSAKSA-N 2 0 354.495 -0.108 20 0 FBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C[C@@]1(O)CCC[NH+](C)C1 ZINC000900496721 662279771 /nfs/dbraw/zinc/27/97/71/662279771.db2.gz JIMZGHWEVADJIU-QAPCUYQASA-N 2 0 354.495 -0.108 20 0 FBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C[C@@]1(O)CCC[NH+](C)C1 ZINC000900496722 662279699 /nfs/dbraw/zinc/27/96/99/662279699.db2.gz JIMZGHWEVADJIU-YJBOKZPZSA-N 2 0 354.495 -0.108 20 0 FBADRP C[N@@H+]1CCC[C@@](O)(CC(=O)N2CCC([NH+]3CCC[C@@H]3C(N)=O)CC2)C1 ZINC000900504233 662279886 /nfs/dbraw/zinc/27/98/86/662279886.db2.gz HFGUQNIYZDASHL-CRAIPNDOSA-N 2 0 352.479 -0.226 20 0 FBADRP C[N@@H+]1CCC[C@@](O)(CC(=O)N2CCC([NH+]3CCC[C@H]3C(N)=O)CC2)C1 ZINC000900504234 662279783 /nfs/dbraw/zinc/27/97/83/662279783.db2.gz HFGUQNIYZDASHL-MAUKXSAKSA-N 2 0 352.479 -0.226 20 0 FBADRP C[N@@H+]1CCC[C@](O)(CC(=O)N2CCC([NH+]3CCC[C@@H]3C(N)=O)CC2)C1 ZINC000900504235 662280021 /nfs/dbraw/zinc/28/00/21/662280021.db2.gz HFGUQNIYZDASHL-QAPCUYQASA-N 2 0 352.479 -0.226 20 0 FBADRP C[N@@H+]1CCC[C@](O)(CC(=O)N2CCC([NH+]3CCC[C@H]3C(N)=O)CC2)C1 ZINC000900504236 662279936 /nfs/dbraw/zinc/27/99/36/662279936.db2.gz HFGUQNIYZDASHL-YJBOKZPZSA-N 2 0 352.479 -0.226 20 0 FBADRP C[NH+](C)CCn1nccc1C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000900513436 662280156 /nfs/dbraw/zinc/28/01/56/662280156.db2.gz WQOWUTZXRMZOFW-AWEZNQCLSA-N 2 0 350.467 -0.238 20 0 FBADRP C[NH+](C)CCn1nccc1C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000900513437 662280277 /nfs/dbraw/zinc/28/02/77/662280277.db2.gz WQOWUTZXRMZOFW-CQSZACIVSA-N 2 0 350.467 -0.238 20 0 FBADRP C[N@@H+]1CCC[C@@](O)(CC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000900562560 662281068 /nfs/dbraw/zinc/28/10/68/662281068.db2.gz ZUMNGHSGBUKVLK-GOSISDBHSA-N 2 0 352.479 -0.400 20 0 FBADRP C[N@@H+]1CCC[C@](O)(CC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000900562562 662280903 /nfs/dbraw/zinc/28/09/03/662280903.db2.gz ZUMNGHSGBUKVLK-SFHVURJKSA-N 2 0 352.479 -0.400 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C[C@]2(O)CCC[N@H+](C)C2)CC1 ZINC000900575451 662280984 /nfs/dbraw/zinc/28/09/84/662280984.db2.gz XRMRRIRBRKGMPH-GOSISDBHSA-N 2 0 354.495 -0.154 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C[C@@]2(O)CCC[N@H+](C)C2)CC1 ZINC000900575452 662281042 /nfs/dbraw/zinc/28/10/42/662281042.db2.gz XRMRRIRBRKGMPH-SFHVURJKSA-N 2 0 354.495 -0.154 20 0 FBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C[C@]2(O)CCC[N@H+](C)C2)CC1 ZINC000900640694 662283117 /nfs/dbraw/zinc/28/31/17/662283117.db2.gz DEJODXGTZSOWTI-GOSISDBHSA-N 2 0 354.495 -0.108 20 0 FBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C[C@@]2(O)CCC[N@H+](C)C2)CC1 ZINC000900640695 662283276 /nfs/dbraw/zinc/28/32/76/662283276.db2.gz DEJODXGTZSOWTI-SFHVURJKSA-N 2 0 354.495 -0.108 20 0 FBADRP C[NH+](C)CCNC(=O)C1CCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)CC1 ZINC000900696593 662284866 /nfs/dbraw/zinc/28/48/66/662284866.db2.gz VHOJLOMGEICNIU-INIZCTEOSA-N 2 0 352.479 -0.377 20 0 FBADRP C[NH+](C)CCNC(=O)C1CCN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC1 ZINC000900696594 662284723 /nfs/dbraw/zinc/28/47/23/662284723.db2.gz VHOJLOMGEICNIU-MRXNPFEDSA-N 2 0 352.479 -0.377 20 0 FBADRP C[N@@H+]1CCC[C@](O)(CC(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000900730884 662286079 /nfs/dbraw/zinc/28/60/79/662286079.db2.gz ITXVGKXRUMOWJB-AEFFLSMTSA-N 2 0 354.495 -0.644 20 0 FBADRP C[N@@H+]1CCC[C@@](O)(CC(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000900730885 662285687 /nfs/dbraw/zinc/28/56/87/662285687.db2.gz ITXVGKXRUMOWJB-FUHWJXTLSA-N 2 0 354.495 -0.644 20 0 FBADRP C[N@@H+]1CCC[C@@](O)(CC(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000900730886 662285879 /nfs/dbraw/zinc/28/58/79/662285879.db2.gz ITXVGKXRUMOWJB-SJLPKXTDSA-N 2 0 354.495 -0.644 20 0 FBADRP C[N@@H+]1CCC[C@](O)(CC(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000900730887 662286265 /nfs/dbraw/zinc/28/62/65/662286265.db2.gz ITXVGKXRUMOWJB-WMZOPIPTSA-N 2 0 354.495 -0.644 20 0 FBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C[C@]2(O)CCC[NH+](C)C2)CC1 ZINC000901107502 662300361 /nfs/dbraw/zinc/30/03/61/662300361.db2.gz XJXBLJJFKLNFAP-CRAIPNDOSA-N 2 0 352.479 -0.402 20 0 FBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C[C@]2(O)CCC[NH+](C)C2)CC1 ZINC000901107506 662300447 /nfs/dbraw/zinc/30/04/47/662300447.db2.gz XJXBLJJFKLNFAP-MAUKXSAKSA-N 2 0 352.479 -0.402 20 0 FBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C[C@@]2(O)CCC[NH+](C)C2)CC1 ZINC000901107507 662300505 /nfs/dbraw/zinc/30/05/05/662300505.db2.gz XJXBLJJFKLNFAP-QAPCUYQASA-N 2 0 352.479 -0.402 20 0 FBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C[C@@]2(O)CCC[NH+](C)C2)CC1 ZINC000901107508 662300401 /nfs/dbraw/zinc/30/04/01/662300401.db2.gz XJXBLJJFKLNFAP-YJBOKZPZSA-N 2 0 352.479 -0.402 20 0 FBADRP C[N@@H+]1CCC[C@@](O)(CC(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)C1 ZINC000901297760 662307497 /nfs/dbraw/zinc/30/74/97/662307497.db2.gz CGPCEZZEFHIPRC-GOSISDBHSA-N 2 0 355.479 -0.481 20 0 FBADRP C[N@@H+]1CCC[C@](O)(CC(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)C1 ZINC000901297761 662307399 /nfs/dbraw/zinc/30/73/99/662307399.db2.gz CGPCEZZEFHIPRC-SFHVURJKSA-N 2 0 355.479 -0.481 20 0 FBADRP CCN1CCN(C(=O)[C@H](C)[N@@H+]2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)CC1 ZINC000903492654 662347403 /nfs/dbraw/zinc/34/74/03/662347403.db2.gz IRLTXYRKNUTREU-AFIMGQEJSA-N 2 0 352.479 -0.249 20 0 FBADRP CCN1CCN(C(=O)[C@@H](C)[N@@H+]2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)CC1 ZINC000903492659 662347456 /nfs/dbraw/zinc/34/74/56/662347456.db2.gz IRLTXYRKNUTREU-FSZRXZPDSA-N 2 0 352.479 -0.249 20 0 FBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](C[C@@H]1CCCN(S(C)(=O)=O)C1)C2 ZINC000903493533 662347944 /nfs/dbraw/zinc/34/79/44/662347944.db2.gz ULVKRJQWIFATHO-AYDFFVQHSA-N 2 0 359.492 -0.130 20 0 FBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](C[C@H]1CCCN(S(C)(=O)=O)C1)C2 ZINC000903493534 662347989 /nfs/dbraw/zinc/34/79/89/662347989.db2.gz ULVKRJQWIFATHO-CTASWTNQSA-N 2 0 359.492 -0.130 20 0 FBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+]([C@H]1CCN(C3CCOCC3)C1=O)C2 ZINC000903493715 662348054 /nfs/dbraw/zinc/34/80/54/662348054.db2.gz VZAMIBMQBHJWIS-HRJSJKBJSA-N 2 0 351.447 -0.021 20 0 FBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+]([C@@H]1CCN(C3CCOCC3)C1=O)C2 ZINC000903493721 662347824 /nfs/dbraw/zinc/34/78/24/662347824.db2.gz VZAMIBMQBHJWIS-OJIVJNGMSA-N 2 0 351.447 -0.021 20 0 FBADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)CC1 ZINC000903493866 662347922 /nfs/dbraw/zinc/34/79/22/662347922.db2.gz YHRLDOOBOIFVAY-IYOUNJFTSA-N 3 0 352.479 -0.201 20 0 FBADRP COCCCS(=O)(=O)NCCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903508642 662348092 /nfs/dbraw/zinc/34/80/92/662348092.db2.gz PHDPOGAPXGJDLX-CALCHBBNSA-N 2 0 374.551 -0.157 20 0 FBADRP C[C@@H](NC(=O)CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1)C(=O)N(C)C ZINC000903510867 662348061 /nfs/dbraw/zinc/34/80/61/662348061.db2.gz SGRIJIJSTCYIIQ-BMFZPTHFSA-N 2 0 351.495 -0.520 20 0 FBADRP C[C@H](NC(=O)CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1)C(=O)N(C)C ZINC000903510868 662347752 /nfs/dbraw/zinc/34/77/52/662347752.db2.gz SGRIJIJSTCYIIQ-CWRNSKLLSA-N 2 0 351.495 -0.520 20 0 FBADRP C[NH+]1CCN(CCCS(=O)(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)CC1 ZINC000903544153 662349431 /nfs/dbraw/zinc/34/94/31/662349431.db2.gz JACJXHZTOPFFBI-INIZCTEOSA-N 2 0 374.551 -0.298 20 0 FBADRP C[NH+]1CCN(CCCS(=O)(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)CC1 ZINC000903544154 662349497 /nfs/dbraw/zinc/34/94/97/662349497.db2.gz JACJXHZTOPFFBI-MRXNPFEDSA-N 2 0 374.551 -0.298 20 0 FBADRP O=S(=O)(C[C@H]1C[NH2+]CCO1)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903561030 662349702 /nfs/dbraw/zinc/34/97/02/662349702.db2.gz COHHVHBNZJOCNM-OWCLPIDISA-N 2 0 358.508 -0.795 20 0 FBADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903561031 662349848 /nfs/dbraw/zinc/34/98/48/662349848.db2.gz COHHVHBNZJOCNM-XHSDSOJGSA-N 2 0 358.508 -0.795 20 0 FBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903562377 662349880 /nfs/dbraw/zinc/34/98/80/662349880.db2.gz KQTGIYQQMJINDK-CALCHBBNSA-N 2 0 371.551 -0.184 20 0 FBADRP COCCOCCS(=O)(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903562928 662350009 /nfs/dbraw/zinc/35/00/09/662350009.db2.gz YNBVVZKZJWAEPF-IYBDPMFKSA-N 2 0 361.508 -0.120 20 0 FBADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCCN1CCC([NH3+])CC1 ZINC000903565224 662350302 /nfs/dbraw/zinc/35/03/02/662350302.db2.gz GXYIRYLLFCECGM-UHFFFAOYSA-N 2 0 372.539 -0.237 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)CCO1 ZINC000903714853 662354658 /nfs/dbraw/zinc/35/46/58/662354658.db2.gz JEGRURZBBKRAKI-BMFZPTHFSA-N 2 0 350.463 -0.339 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)CCO1 ZINC000903714854 662354609 /nfs/dbraw/zinc/35/46/09/662354609.db2.gz JEGRURZBBKRAKI-CWRNSKLLSA-N 2 0 350.463 -0.339 20 0 FBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903719393 662355013 /nfs/dbraw/zinc/35/50/13/662355013.db2.gz KHYLQLMEIRXUFI-IYBDPMFKSA-N 2 0 351.495 -0.566 20 0 FBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C(=O)C(=O)N(C)CCC[NH+](C)C)C2 ZINC000903719843 662355522 /nfs/dbraw/zinc/35/55/22/662355522.db2.gz YHQGYMPHBYCUTR-AHIWAGSCSA-N 2 0 354.451 -0.865 20 0 FBADRP O=C(C(=O)N1CCN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1)N1CCCC1 ZINC000903721940 662355357 /nfs/dbraw/zinc/35/53/57/662355357.db2.gz GIXRTQTWEZJGKZ-CRAIPNDOSA-N 2 0 350.463 -0.478 20 0 FBADRP O=C(C(=O)N1CCN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1)N1CCCC1 ZINC000903721941 662355553 /nfs/dbraw/zinc/35/55/53/662355553.db2.gz GIXRTQTWEZJGKZ-MAUKXSAKSA-N 2 0 350.463 -0.478 20 0 FBADRP O=C(C(=O)N1CCN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1)N1CCCC1 ZINC000903721942 662355590 /nfs/dbraw/zinc/35/55/90/662355590.db2.gz GIXRTQTWEZJGKZ-QAPCUYQASA-N 2 0 350.463 -0.478 20 0 FBADRP O=C(C(=O)N1CCN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1)N1CCCC1 ZINC000903721943 662355494 /nfs/dbraw/zinc/35/54/94/662355494.db2.gz GIXRTQTWEZJGKZ-YJBOKZPZSA-N 2 0 350.463 -0.478 20 0 FBADRP O=C(NC1CC1)C(=O)N1CCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903722134 662355327 /nfs/dbraw/zinc/35/53/27/662355327.db2.gz HNAJAOTURNRANY-HNNXBMFYSA-N 2 0 350.463 -0.432 20 0 FBADRP O=C(NC1CC1)C(=O)N1CCN(C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903722135 662355549 /nfs/dbraw/zinc/35/55/49/662355549.db2.gz HNAJAOTURNRANY-OAHLLOKOSA-N 2 0 350.463 -0.432 20 0 FBADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903724577 662355437 /nfs/dbraw/zinc/35/54/37/662355437.db2.gz VFFWNWWTIQCNNP-HNNXBMFYSA-N 3 0 353.511 -0.334 20 0 FBADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903724578 662355578 /nfs/dbraw/zinc/35/55/78/662355578.db2.gz VFFWNWWTIQCNNP-OAHLLOKOSA-N 3 0 353.511 -0.334 20 0 FBADRP COCCCN(C)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903730866 662355795 /nfs/dbraw/zinc/35/57/95/662355795.db2.gz PHCSAMCHXNLDCB-IYBDPMFKSA-N 2 0 352.479 -0.092 20 0 FBADRP O=C(C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1)N1CCC[C@H]1CO ZINC000903730967 662355911 /nfs/dbraw/zinc/35/59/11/662355911.db2.gz SBCUXUWPFTUOFE-XHSDSOJGSA-N 2 0 350.463 -0.603 20 0 FBADRP CN1CC[NH+](CC2CCN(C(=O)C(=O)N3CCC[C@H]([NH3+])C3)CC2)CC1 ZINC000903731131 662355976 /nfs/dbraw/zinc/35/59/76/662355976.db2.gz XCZDASLGYWONHZ-INIZCTEOSA-N 2 0 351.495 -0.578 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)C[C@H]1CC[NH3+] ZINC000903732151 662355938 /nfs/dbraw/zinc/35/59/38/662355938.db2.gz PYWQBHCEHGSYIW-BZUAXINKSA-N 2 0 354.495 -0.001 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C[C@H]1CC[NH3+] ZINC000903732152 662355963 /nfs/dbraw/zinc/35/59/63/662355963.db2.gz PYWQBHCEHGSYIW-OAGGEKHMSA-N 2 0 354.495 -0.001 20 0 FBADRP O=C(C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1)N1CC[C@@H](CO)C1 ZINC000903735872 662355866 /nfs/dbraw/zinc/35/58/66/662355866.db2.gz QQISEWYNQSFYII-BMFZPTHFSA-N 2 0 350.463 -0.746 20 0 FBADRP O=C(C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1)N1CC[C@H](CO)C1 ZINC000903735875 662355899 /nfs/dbraw/zinc/35/58/99/662355899.db2.gz QQISEWYNQSFYII-CWRNSKLLSA-N 2 0 350.463 -0.746 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903737064 660425007 /nfs/dbraw/zinc/42/50/07/660425007.db2.gz KCSHXMLZRAHVEA-VXGBXAGGSA-N 3 0 367.416 -0.714 20 0 FBADRP CN(C(=O)C(=O)N1CCC[C@H]([NH3+])C1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000903738054 662356366 /nfs/dbraw/zinc/35/63/66/662356366.db2.gz IDHNEUQCOMJJCX-GOEBONIOSA-N 2 0 351.495 -0.437 20 0 FBADRP CN(C(=O)C(=O)N1CCC[C@H]([NH3+])C1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000903738055 662356488 /nfs/dbraw/zinc/35/64/88/662356488.db2.gz IDHNEUQCOMJJCX-HOCLYGCPSA-N 2 0 351.495 -0.437 20 0 FBADRP CN(C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1)[C@@H]1CCOC1 ZINC000903738102 662356287 /nfs/dbraw/zinc/35/62/87/662356287.db2.gz JDHXFCXUPZKYQI-OWCLPIDISA-N 2 0 350.463 -0.339 20 0 FBADRP CN(C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1)[C@H]1CCOC1 ZINC000903738103 662356521 /nfs/dbraw/zinc/35/65/21/662356521.db2.gz JDHXFCXUPZKYQI-XHSDSOJGSA-N 2 0 350.463 -0.339 20 0 FBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903738556 662356320 /nfs/dbraw/zinc/35/63/20/662356320.db2.gz OLUSCINJHKZTAK-NEPJUHHUSA-N 2 0 368.400 -0.239 20 0 FBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903738557 662356516 /nfs/dbraw/zinc/35/65/16/662356516.db2.gz OLUSCINJHKZTAK-NWDGAFQWSA-N 2 0 368.400 -0.239 20 0 FBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903738558 662356244 /nfs/dbraw/zinc/35/62/44/662356244.db2.gz OLUSCINJHKZTAK-RYUDHWBXSA-N 2 0 368.400 -0.239 20 0 FBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903738559 662356426 /nfs/dbraw/zinc/35/64/26/662356426.db2.gz OLUSCINJHKZTAK-VXGBXAGGSA-N 2 0 368.400 -0.239 20 0 FBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903738798 662356396 /nfs/dbraw/zinc/35/63/96/662356396.db2.gz VUGXDZOUTRGHGK-GHMZBOCLSA-N 2 0 354.373 -0.629 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)C[C@H]1CC[NH3+] ZINC000903741907 662356940 /nfs/dbraw/zinc/35/69/40/662356940.db2.gz JDBWDZQPBAVNAX-HUUCEWRRSA-N 2 0 354.495 -0.265 20 0 FBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3C[C@H]([NH3+])C(C)(C)C3)CC2)C1 ZINC000903742425 662356723 /nfs/dbraw/zinc/35/67/23/662356723.db2.gz NRKYVAMYYBSVIA-CABCVRRESA-N 2 0 351.495 -0.580 20 0 FBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3C[C@H]([NH3+])C(C)(C)C3)CC2)C1 ZINC000903742426 662356759 /nfs/dbraw/zinc/35/67/59/662356759.db2.gz NRKYVAMYYBSVIA-GJZGRUSLSA-N 2 0 351.495 -0.580 20 0 FBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3C[C@@H]([NH3+])C(C)(C)C3)CC2)C1 ZINC000903742427 662356874 /nfs/dbraw/zinc/35/68/74/662356874.db2.gz NRKYVAMYYBSVIA-HUUCEWRRSA-N 2 0 351.495 -0.580 20 0 FBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3C[C@@H]([NH3+])C(C)(C)C3)CC2)C1 ZINC000903742428 662356708 /nfs/dbraw/zinc/35/67/08/662356708.db2.gz NRKYVAMYYBSVIA-LSDHHAIUSA-N 2 0 351.495 -0.580 20 0 FBADRP CC1(C)CN(C(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)C[C@@H]1[NH3+] ZINC000903742694 662356671 /nfs/dbraw/zinc/35/66/71/662356671.db2.gz OANCLJZOMJTIPW-HNNXBMFYSA-N 2 0 352.479 -0.247 20 0 FBADRP CC1(C)CN(C(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)C[C@H]1[NH3+] ZINC000903742697 662356746 /nfs/dbraw/zinc/35/67/46/662356746.db2.gz OANCLJZOMJTIPW-OAHLLOKOSA-N 2 0 352.479 -0.247 20 0 FBADRP O=C(NC[C@H]1CCC[N@H+](CCN2CCCS2(=O)=O)C1)[C@@H]1CCC[NH2+]1 ZINC000903743464 662356729 /nfs/dbraw/zinc/35/67/29/662356729.db2.gz LYINWOBNGAAAFR-CABCVRRESA-N 2 0 358.508 -0.398 20 0 FBADRP O=C(NC[C@@H]1CCC[N@H+](CCN2CCCS2(=O)=O)C1)[C@@H]1CCC[NH2+]1 ZINC000903743467 662356655 /nfs/dbraw/zinc/35/66/55/662356655.db2.gz LYINWOBNGAAAFR-GJZGRUSLSA-N 2 0 358.508 -0.398 20 0 FBADRP O=C(NC[C@H]1CCC[N@H+](CCN2CCCS2(=O)=O)C1)[C@H]1CCC[NH2+]1 ZINC000903743469 662356813 /nfs/dbraw/zinc/35/68/13/662356813.db2.gz LYINWOBNGAAAFR-HUUCEWRRSA-N 2 0 358.508 -0.398 20 0 FBADRP O=C(NC[C@@H]1CCC[N@H+](CCN2CCCS2(=O)=O)C1)[C@H]1CCC[NH2+]1 ZINC000903743471 662356895 /nfs/dbraw/zinc/35/68/95/662356895.db2.gz LYINWOBNGAAAFR-LSDHHAIUSA-N 2 0 358.508 -0.398 20 0 FBADRP CN(CC(C)(C)O)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903743592 662356884 /nfs/dbraw/zinc/35/68/84/662356884.db2.gz VKTCYTTWRRXHSO-GASCZTMLSA-N 2 0 352.479 -0.357 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)C[C@H]1CC[NH3+] ZINC000903744054 662356701 /nfs/dbraw/zinc/35/67/01/662356701.db2.gz ZIZHEQHPQMLGJQ-HUUCEWRRSA-N 2 0 354.495 -0.001 20 0 FBADRP C[C@@H](O)CCN(C)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903744781 662357200 /nfs/dbraw/zinc/35/72/00/662357200.db2.gz QHYIUDIUZGDLNN-BMFZPTHFSA-N 2 0 352.479 -0.357 20 0 FBADRP C[C@H](O)CCN(C)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903744782 662357179 /nfs/dbraw/zinc/35/71/79/662357179.db2.gz QHYIUDIUZGDLNN-CWRNSKLLSA-N 2 0 352.479 -0.357 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N(C)CCN2C[C@@H](C)O[C@@H](C)C2)C[C@H]1CC[NH3+] ZINC000903745090 662357169 /nfs/dbraw/zinc/35/71/69/662357169.db2.gz VTOKFAYAYKJSNR-LVQVYYBASA-N 2 0 354.495 -0.003 20 0 FBADRP CC1(C)CN(C(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C[C@@H]1[NH3+] ZINC000903746787 662357285 /nfs/dbraw/zinc/35/72/85/662357285.db2.gz HIYWQBBBXSYIQB-CABCVRRESA-N 2 0 352.479 -0.247 20 0 FBADRP CC1(C)CN(C(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C[C@H]1[NH3+] ZINC000903746788 662357153 /nfs/dbraw/zinc/35/71/53/662357153.db2.gz HIYWQBBBXSYIQB-HUUCEWRRSA-N 2 0 352.479 -0.247 20 0 FBADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903750501 662357637 /nfs/dbraw/zinc/35/76/37/662357637.db2.gz MBUOEYAKEMXJCZ-DZGCQCFKSA-N 2 0 352.479 -0.106 20 0 FBADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903750502 662357579 /nfs/dbraw/zinc/35/75/79/662357579.db2.gz MBUOEYAKEMXJCZ-HIFRSBDPSA-N 2 0 352.479 -0.106 20 0 FBADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903750503 662357705 /nfs/dbraw/zinc/35/77/05/662357705.db2.gz MBUOEYAKEMXJCZ-UKRRQHHQSA-N 2 0 352.479 -0.106 20 0 FBADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903750504 662357689 /nfs/dbraw/zinc/35/76/89/662357689.db2.gz MBUOEYAKEMXJCZ-ZFWWWQNUSA-N 2 0 352.479 -0.106 20 0 FBADRP O=S(=O)([C@@H]1CCC[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1)N1CCOCC1 ZINC000903752281 662357755 /nfs/dbraw/zinc/35/77/55/662357755.db2.gz MEISIGJEGRNSTF-BBWFWOEESA-N 2 0 373.519 -0.119 20 0 FBADRP O=S(=O)([C@@H]1CCC[N@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1)N1CCOCC1 ZINC000903752282 662357680 /nfs/dbraw/zinc/35/76/80/662357680.db2.gz MEISIGJEGRNSTF-BRWVUGGUSA-N 2 0 373.519 -0.119 20 0 FBADRP O=S(=O)([C@@H]1CCC[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1)N1CCOCC1 ZINC000903752283 662357593 /nfs/dbraw/zinc/35/75/93/662357593.db2.gz MEISIGJEGRNSTF-GVDBMIGSSA-N 2 0 373.519 -0.119 20 0 FBADRP O=S(=O)([C@@H]1CCC[N@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1)N1CCOCC1 ZINC000903752284 662357543 /nfs/dbraw/zinc/35/75/43/662357543.db2.gz MEISIGJEGRNSTF-ZACQAIPSSA-N 2 0 373.519 -0.119 20 0 FBADRP CN(CC(C)(C)CN1CCOCC1)C(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903754410 662357824 /nfs/dbraw/zinc/35/78/24/662357824.db2.gz HQCIFKNEFFWYTD-AWEZNQCLSA-N 2 0 354.495 -0.001 20 0 FBADRP CN(CC(C)(C)CN1CCOCC1)C(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903754411 662357607 /nfs/dbraw/zinc/35/76/07/662357607.db2.gz HQCIFKNEFFWYTD-CQSZACIVSA-N 2 0 354.495 -0.001 20 0 FBADRP CN(CCCCO)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903755038 662357615 /nfs/dbraw/zinc/35/76/15/662357615.db2.gz YRCOCWLEDUSRNL-IYBDPMFKSA-N 2 0 352.479 -0.356 20 0 FBADRP COCCCS(=O)(=O)N1CCN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903755344 662357729 /nfs/dbraw/zinc/35/77/29/662357729.db2.gz FRBAAHVXJIXRAG-CVEARBPZSA-N 2 0 361.508 -0.261 20 0 FBADRP COCCCS(=O)(=O)N1CCN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903755345 662357568 /nfs/dbraw/zinc/35/75/68/662357568.db2.gz FRBAAHVXJIXRAG-HOTGVXAUSA-N 2 0 361.508 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O=C1N[C@@H]2CN(C[C@@H](O)C[NH+]3CCCC3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000903760633 662358774 /nfs/dbraw/zinc/35/87/74/662358774.db2.gz HTJPZXRXPBXRGU-GVDBMIGSSA-N 2 0 351.495 -0.337 20 0 FBADRP O=C1N[C@@H]2CN(C[C@H](O)C[NH+]3CCCC3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000903760634 662358807 /nfs/dbraw/zinc/35/88/07/662358807.db2.gz HTJPZXRXPBXRGU-ZACQAIPSSA-N 2 0 351.495 -0.337 20 0 FBADRP CC1(C)CN(C(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C[C@@H]1[NH3+] ZINC000903761856 662358844 /nfs/dbraw/zinc/35/88/44/662358844.db2.gz HIYWQBBBXSYIQB-GJZGRUSLSA-N 2 0 352.479 -0.247 20 0 FBADRP CC1(C)CN(C(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C[C@H]1[NH3+] ZINC000903761857 662359045 /nfs/dbraw/zinc/35/90/45/662359045.db2.gz HIYWQBBBXSYIQB-LSDHHAIUSA-N 2 0 352.479 -0.247 20 0 FBADRP COCCOCCOCC[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000903769528 660425676 /nfs/dbraw/zinc/42/56/76/660425676.db2.gz INXQBYIQYAFPNU-CVEARBPZSA-N 2 0 357.451 -0.077 20 0 FBADRP CC(=O)NCC(=O)N1CCC[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903769575 662359384 /nfs/dbraw/zinc/35/93/84/662359384.db2.gz JQWJQERJFVJKKK-INIZCTEOSA-N 2 0 352.479 -0.185 20 0 FBADRP CC(=O)NCC(=O)N1CCC[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903769576 662359423 /nfs/dbraw/zinc/35/94/23/662359423.db2.gz JQWJQERJFVJKKK-MRXNPFEDSA-N 2 0 352.479 -0.185 20 0 FBADRP O=C(N1CC[NH2+]CC1)N1CCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903769889 662359379 /nfs/dbraw/zinc/35/93/79/662359379.db2.gz QVLWSRCMSIUJRO-INIZCTEOSA-N 2 0 351.495 -0.212 20 0 FBADRP O=C(N1CC[NH2+]CC1)N1CCN(C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903769890 662359397 /nfs/dbraw/zinc/35/93/97/662359397.db2.gz QVLWSRCMSIUJRO-MRXNPFEDSA-N 2 0 351.495 -0.212 20 0 FBADRP [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC[C@H]1C(F)(F)F ZINC000903769930 662359485 /nfs/dbraw/zinc/35/94/85/662359485.db2.gz AHJOEMSJZOQIGZ-IRCOFANPSA-N 2 0 364.368 -0.998 20 0 FBADRP [NH3+][C@H]1CN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC[C@H]1C(F)(F)F ZINC000903769931 662359348 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/nfs/dbraw/zinc/36/01/28/662360128.db2.gz SELOUQYQBLQMLK-KFWWJZLASA-N 3 0 353.511 -0.620 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)C[C@H]1C[NH+](C)C ZINC000903773974 662360170 /nfs/dbraw/zinc/36/01/70/662360170.db2.gz SELOUQYQBLQMLK-RBSFLKMASA-N 3 0 353.511 -0.620 20 0 FBADRP CC1(C)CN(C(=O)C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)C[C@@H]1[NH3+] ZINC000903774165 662360232 /nfs/dbraw/zinc/36/02/32/662360232.db2.gz WTPLHMDYDSTNDE-AWEZNQCLSA-N 2 0 352.479 -0.105 20 0 FBADRP CC1(C)CN(C(=O)C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)C[C@H]1[NH3+] ZINC000903774166 662360305 /nfs/dbraw/zinc/36/03/05/662360305.db2.gz WTPLHMDYDSTNDE-CQSZACIVSA-N 2 0 352.479 -0.105 20 0 FBADRP CN1CC[NH+](C2CCN(C(=O)C(=O)N3C[C@H]([NH3+])C(C)(C)C3)CC2)CC1 ZINC000903776153 662360284 /nfs/dbraw/zinc/36/02/84/662360284.db2.gz KIPBGXPRXVKFQZ-HNNXBMFYSA-N 2 0 351.495 -0.580 20 0 FBADRP CN1CC[NH+](C2CCN(C(=O)C(=O)N3C[C@@H]([NH3+])C(C)(C)C3)CC2)CC1 ZINC000903776155 662360185 /nfs/dbraw/zinc/36/01/85/662360185.db2.gz KIPBGXPRXVKFQZ-OAHLLOKOSA-N 2 0 351.495 -0.580 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C)C[C@H]1CC[NH3+] ZINC000903778796 662360578 /nfs/dbraw/zinc/36/05/78/662360578.db2.gz SEBSVESYSXSXNW-HZPDHXFCSA-N 2 0 355.527 -0.228 20 0 FBADRP C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000903782815 662360586 /nfs/dbraw/zinc/36/05/86/662360586.db2.gz HCXMKXIRYQRKCK-INIZCTEOSA-N 2 0 354.495 -0.108 20 0 FBADRP C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000903783097 662360695 /nfs/dbraw/zinc/36/06/95/662360695.db2.gz NQMXUTDLSBEGPF-INIZCTEOSA-N 2 0 353.511 -0.317 20 0 FBADRP C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C ZINC000903784986 662361087 /nfs/dbraw/zinc/36/10/87/662361087.db2.gz HQAXADSRSSQJKE-INIZCTEOSA-N 2 0 355.527 -0.071 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN(C)C2(C[NH3+])CCOCC2)C1 ZINC000903808791 662361876 /nfs/dbraw/zinc/36/18/76/662361876.db2.gz UFGZYDALJWKEDD-INIZCTEOSA-N 2 0 356.511 -0.101 20 0 FBADRP 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TZRXVPPFBDCFNF-MQVJKMGUSA-N 2 0 350.463 -0.480 20 0 FBADRP CN1CCN(S(=O)(=O)N2CC[NH+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)CC1 ZINC000903903132 662364022 /nfs/dbraw/zinc/36/40/22/662364022.db2.gz GEMNEFCEWDABRC-ALOPSCKCSA-N 2 0 371.551 -0.373 20 0 FBADRP O=S(=O)(N1CCOCC1)N1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903904407 662363889 /nfs/dbraw/zinc/36/38/89/662363889.db2.gz UJYLCHONMHZUIA-MQVJKMGUSA-N 2 0 358.508 -0.288 20 0 FBADRP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)N3CCC(OCCC[NH3+])CC3)C[C@]2(C)C1 ZINC000904956095 660009224 /nfs/dbraw/zinc/00/92/24/660009224.db2.gz KVWZOERHSZMLPJ-KDOFPFPSSA-N 2 0 352.479 -0.247 20 0 FBADRP COCC[NH2+]C1CCN(C(=O)C(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)CC1 ZINC000904962034 660009511 /nfs/dbraw/zinc/00/95/11/660009511.db2.gz SXKWZUPVMVBNGM-KBXCAEBGSA-N 2 0 352.479 -0.377 20 0 FBADRP CC(C)(C[NH3+])C1CCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000904962183 660009394 /nfs/dbraw/zinc/00/93/94/660009394.db2.gz VPAUTQDISISFSE-LSDHHAIUSA-N 2 0 352.479 -0.513 20 0 FBADRP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)N3C[C@@H](C[NH3+])[C@H](C(F)(F)F)C3)C[C@]2(C)C1 ZINC000904965766 660009418 /nfs/dbraw/zinc/00/94/18/660009418.db2.gz DFKMNDRKPOFGKC-BLTAXRJOSA-N 2 0 362.396 -0.008 20 0 FBADRP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)N3C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C3)C[C@]2(C)C1 ZINC000904965769 660009470 /nfs/dbraw/zinc/00/94/70/660009470.db2.gz DFKMNDRKPOFGKC-FJJYHAOUSA-N 2 0 362.396 -0.008 20 0 FBADRP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)N3C[C@H](C(F)(F)F)[C@@H](C[NH3+])C3)C[C@]2(C)C1 ZINC000904965771 660009410 /nfs/dbraw/zinc/00/94/10/660009410.db2.gz DFKMNDRKPOFGKC-OXIQGZBJSA-N 2 0 362.396 -0.008 20 0 FBADRP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)N3C[C@H](C[NH3+])[C@H](C(F)(F)F)C3)C[C@]2(C)C1 ZINC000904965772 660009447 /nfs/dbraw/zinc/00/94/47/660009447.db2.gz DFKMNDRKPOFGKC-YFCNSXCBSA-N 2 0 362.396 -0.008 20 0 FBADRP CN(C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2)C1(C[NH3+])CCOCC1 ZINC000904968467 660008363 /nfs/dbraw/zinc/00/83/63/660008363.db2.gz ALPFWSOICZRVBP-KRWDZBQOSA-N 2 0 352.479 -0.103 20 0 FBADRP CN(C(=O)C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2)C1(C[NH3+])CCOCC1 ZINC000904968469 660008356 /nfs/dbraw/zinc/00/83/56/660008356.db2.gz ALPFWSOICZRVBP-QGZVFWFLSA-N 2 0 352.479 -0.103 20 0 FBADRP CN(C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)C1(C[NH3+])CCOCC1 ZINC000904968569 660008332 /nfs/dbraw/zinc/00/83/32/660008332.db2.gz DALZQNDBTJVMAS-CABCVRRESA-N 2 0 352.479 -0.105 20 0 FBADRP CN(C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)C1(C[NH3+])CCOCC1 ZINC000904968570 660008347 /nfs/dbraw/zinc/00/83/47/660008347.db2.gz DALZQNDBTJVMAS-GJZGRUSLSA-N 2 0 352.479 -0.105 20 0 FBADRP CN(C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)C1(C[NH3+])CCOCC1 ZINC000904968571 660008250 /nfs/dbraw/zinc/00/82/50/660008250.db2.gz DALZQNDBTJVMAS-HUUCEWRRSA-N 2 0 352.479 -0.105 20 0 FBADRP CN(C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)C1(C[NH3+])CCOCC1 ZINC000904968572 660008297 /nfs/dbraw/zinc/00/82/97/660008297.db2.gz DALZQNDBTJVMAS-LSDHHAIUSA-N 2 0 352.479 -0.105 20 0 FBADRP CN(C(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)C1(C[NH3+])CCOCC1 ZINC000904970473 660008287 /nfs/dbraw/zinc/00/82/87/660008287.db2.gz LTLGTWBPKNDPKK-HNNXBMFYSA-N 2 0 352.479 -0.103 20 0 FBADRP CN(C(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)C1(C[NH3+])CCOCC1 ZINC000904970478 660008380 /nfs/dbraw/zinc/00/83/80/660008380.db2.gz LTLGTWBPKNDPKK-OAHLLOKOSA-N 2 0 352.479 -0.103 20 0 FBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CC[NH2+]CCC12CCOCC2 ZINC000904979553 660008731 /nfs/dbraw/zinc/00/87/31/660008731.db2.gz FOACFQUIDPMNLX-UHFFFAOYSA-N 2 0 352.479 -0.090 20 0 FBADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CC[NH2+]CCC23CCOCC3)C1 ZINC000904982327 660008704 /nfs/dbraw/zinc/00/87/04/660008704.db2.gz JIEWDZVLFUBQOD-HNNXBMFYSA-N 2 0 352.479 -0.090 20 0 FBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CC[NH2+]CCC23CCOCC3)C1 ZINC000904982329 660008767 /nfs/dbraw/zinc/00/87/67/660008767.db2.gz JIEWDZVLFUBQOD-OAHLLOKOSA-N 2 0 352.479 -0.090 20 0 FBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CC[NH2+]CCC12CCOCC2 ZINC000904982839 660009083 /nfs/dbraw/zinc/00/90/83/660009083.db2.gz KTTCOHCVDYEYRK-UHFFFAOYSA-N 2 0 352.479 -0.088 20 0 FBADRP [NH3+]CCC1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC000904985487 660011062 /nfs/dbraw/zinc/01/10/62/660011062.db2.gz BBGQITIDHMQHLM-CVEARBPZSA-N 2 0 352.479 -0.369 20 0 FBADRP [NH3+]CCC1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC000904985488 660010956 /nfs/dbraw/zinc/01/09/56/660010956.db2.gz BBGQITIDHMQHLM-HOTGVXAUSA-N 2 0 352.479 -0.369 20 0 FBADRP [NH3+]CCC1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC000904985489 660011016 /nfs/dbraw/zinc/01/10/16/660011016.db2.gz BBGQITIDHMQHLM-HZPDHXFCSA-N 2 0 352.479 -0.369 20 0 FBADRP [NH3+]CCC1CCN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC000904985490 660011266 /nfs/dbraw/zinc/01/12/66/660011266.db2.gz BBGQITIDHMQHLM-JKSUJKDBSA-N 2 0 352.479 -0.369 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)C[C@H]1CC[NH3+] ZINC000904985525 660011229 /nfs/dbraw/zinc/01/12/29/660011229.db2.gz CBSKIDROXYATEC-FPCVCCKLSA-N 2 0 352.479 -0.513 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)C[C@H]1CC[NH3+] ZINC000904985526 660011313 /nfs/dbraw/zinc/01/13/13/660011313.db2.gz CBSKIDROXYATEC-KLHDSHLOSA-N 2 0 352.479 -0.513 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)C[C@H]1CC[NH3+] ZINC000904985527 660011218 /nfs/dbraw/zinc/01/12/18/660011218.db2.gz CBSKIDROXYATEC-LVQVYYBASA-N 2 0 352.479 -0.513 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)C[C@H]1CC[NH3+] ZINC000904985528 660011305 /nfs/dbraw/zinc/01/13/05/660011305.db2.gz CBSKIDROXYATEC-WCVJEAGWSA-N 2 0 352.479 -0.513 20 0 FBADRP C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)C[C@H]1C[NH3+] ZINC000904985626 660011254 /nfs/dbraw/zinc/01/12/54/660011254.db2.gz CLVZCVWYCCHYDG-FPCVCCKLSA-N 2 0 352.479 -0.513 20 0 FBADRP C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)C[C@H]1C[NH3+] ZINC000904985627 660011188 /nfs/dbraw/zinc/01/11/88/660011188.db2.gz CLVZCVWYCCHYDG-KLHDSHLOSA-N 2 0 352.479 -0.513 20 0 FBADRP C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)C[C@@H]1C[NH3+] ZINC000904985628 660011354 /nfs/dbraw/zinc/01/13/54/660011354.db2.gz CLVZCVWYCCHYDG-QKPAOTATSA-N 2 0 352.479 -0.513 20 0 FBADRP C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)C[C@@H]1C[NH3+] ZINC000904985629 660011194 /nfs/dbraw/zinc/01/11/94/660011194.db2.gz CLVZCVWYCCHYDG-QXSJWSMHSA-N 2 0 352.479 -0.513 20 0 FBADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)C1 ZINC000904986250 660011339 /nfs/dbraw/zinc/01/13/39/660011339.db2.gz IIDCBSWCUDUIBP-FZKCQIBNSA-N 2 0 352.479 -0.370 20 0 FBADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)C1 ZINC000904986251 660011200 /nfs/dbraw/zinc/01/12/00/660011200.db2.gz IIDCBSWCUDUIBP-JJXSEGSLSA-N 2 0 352.479 -0.370 20 0 FBADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)C1 ZINC000904986252 660011178 /nfs/dbraw/zinc/01/11/78/660011178.db2.gz IIDCBSWCUDUIBP-XUWVNRHRSA-N 2 0 352.479 -0.370 20 0 FBADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)C1 ZINC000904986253 660011281 /nfs/dbraw/zinc/01/12/81/660011281.db2.gz IIDCBSWCUDUIBP-ZJIFWQFVSA-N 2 0 352.479 -0.370 20 0 FBADRP [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)C1 ZINC000904986321 660011203 /nfs/dbraw/zinc/01/12/03/660011203.db2.gz HQWGHKOLNBEYQR-ARFHVFGLSA-N 2 0 352.479 -0.369 20 0 FBADRP [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)C1 ZINC000904986322 660011175 /nfs/dbraw/zinc/01/11/75/660011175.db2.gz HQWGHKOLNBEYQR-HRCADAONSA-N 2 0 352.479 -0.369 20 0 FBADRP [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)C1 ZINC000904986323 660011288 /nfs/dbraw/zinc/01/12/88/660011288.db2.gz HQWGHKOLNBEYQR-JYJNAYRXSA-N 2 0 352.479 -0.369 20 0 FBADRP [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)C1 ZINC000904986324 660011262 /nfs/dbraw/zinc/01/12/62/660011262.db2.gz HQWGHKOLNBEYQR-XHSDSOJGSA-N 2 0 352.479 -0.369 20 0 FBADRP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)N1CC[C@@H]3[C@H]1CCC[N@@H+]3CCO)C2 ZINC000904986399 660011191 /nfs/dbraw/zinc/01/11/91/660011191.db2.gz IBLUVTVCVQLKBE-ADAWSYLGSA-N 2 0 350.463 -0.616 20 0 FBADRP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)N1CC[C@@H]3[C@@H]1CCC[N@@H+]3CCO)C2 ZINC000904986404 660011239 /nfs/dbraw/zinc/01/12/39/660011239.db2.gz IBLUVTVCVQLKBE-BSXFFOKHSA-N 2 0 350.463 -0.616 20 0 FBADRP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)N1CC[C@H]3[C@H]1CCC[N@@H+]3CCO)C2 ZINC000904986405 660011185 /nfs/dbraw/zinc/01/11/85/660011185.db2.gz IBLUVTVCVQLKBE-FSZRXZPDSA-N 2 0 350.463 -0.616 20 0 FBADRP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)N1CC[C@H]3[C@@H]1CCC[N@@H+]3CCO)C2 ZINC000904986406 660011223 /nfs/dbraw/zinc/01/12/23/660011223.db2.gz IBLUVTVCVQLKBE-LLDVTBCESA-N 2 0 350.463 -0.616 20 0 FBADRP O=C(C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904986707 660011248 /nfs/dbraw/zinc/01/12/48/660011248.db2.gz KCMPFVTVSBGBAC-FZKCQIBNSA-N 2 0 350.463 -0.888 20 0 FBADRP O=C(C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904986709 660011346 /nfs/dbraw/zinc/01/13/46/660011346.db2.gz KCMPFVTVSBGBAC-JJXSEGSLSA-N 2 0 350.463 -0.888 20 0 FBADRP O=C(C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904986711 660011206 /nfs/dbraw/zinc/01/12/06/660011206.db2.gz KCMPFVTVSBGBAC-XUWVNRHRSA-N 2 0 350.463 -0.888 20 0 FBADRP O=C(C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904986713 660011297 /nfs/dbraw/zinc/01/12/97/660011297.db2.gz KCMPFVTVSBGBAC-ZJIFWQFVSA-N 2 0 350.463 -0.888 20 0 FBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)N1CC[C@@H]3[C@@H]1CCC[N@@H+]3CCO)C2 ZINC000904986895 660011334 /nfs/dbraw/zinc/01/13/34/660011334.db2.gz KXXPIPYQUAPKCJ-JTOWHCCKSA-N 2 0 350.463 -0.888 20 0 FBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)N1CC[C@@H]3[C@H]1CCC[N@@H+]3CCO)C2 ZINC000904986896 660011582 /nfs/dbraw/zinc/01/15/82/660011582.db2.gz KXXPIPYQUAPKCJ-LUXYFRNMSA-N 2 0 350.463 -0.888 20 0 FBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)N1CC[C@H]3[C@H]1CCC[N@@H+]3CCO)C2 ZINC000904986897 660011539 /nfs/dbraw/zinc/01/15/39/660011539.db2.gz KXXPIPYQUAPKCJ-OIPACUDHSA-N 2 0 350.463 -0.888 20 0 FBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)N1CC[C@H]3[C@@H]1CCC[N@@H+]3CCO)C2 ZINC000904986898 660011576 /nfs/dbraw/zinc/01/15/76/660011576.db2.gz KXXPIPYQUAPKCJ-YRBFXIGRSA-N 2 0 350.463 -0.888 20 0 FBADRP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CC[C@H]1[NH3+] ZINC000904987260 660011528 /nfs/dbraw/zinc/01/15/28/660011528.db2.gz OFVIZUHQHBIOHS-FPCVCCKLSA-N 2 0 352.479 -0.370 20 0 FBADRP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)CC[C@H]1[NH3+] ZINC000904987261 660011603 /nfs/dbraw/zinc/01/16/03/660011603.db2.gz OFVIZUHQHBIOHS-KLHDSHLOSA-N 2 0 352.479 -0.370 20 0 FBADRP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)CC[C@@H]1[NH3+] ZINC000904987262 660011563 /nfs/dbraw/zinc/01/15/63/660011563.db2.gz OFVIZUHQHBIOHS-QKPAOTATSA-N 2 0 352.479 -0.370 20 0 FBADRP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CC[C@@H]1[NH3+] ZINC000904987263 660011451 /nfs/dbraw/zinc/01/14/51/660011451.db2.gz OFVIZUHQHBIOHS-QXSJWSMHSA-N 2 0 352.479 -0.370 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CC[C@@H]1C[NH3+] ZINC000904987623 660011428 /nfs/dbraw/zinc/01/14/28/660011428.db2.gz QILOKELPXIHMCR-FPCVCCKLSA-N 2 0 352.479 -0.513 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)CC[C@@H]1C[NH3+] ZINC000904987625 660011560 /nfs/dbraw/zinc/01/15/60/660011560.db2.gz QILOKELPXIHMCR-KLHDSHLOSA-N 2 0 352.479 -0.513 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)CC[C@H]1C[NH3+] ZINC000904987627 660011523 /nfs/dbraw/zinc/01/15/23/660011523.db2.gz QILOKELPXIHMCR-QKPAOTATSA-N 2 0 352.479 -0.513 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CC[C@H]1C[NH3+] ZINC000904987629 660011416 /nfs/dbraw/zinc/01/14/16/660011416.db2.gz QILOKELPXIHMCR-QXSJWSMHSA-N 2 0 352.479 -0.513 20 0 FBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000904988473 660011492 /nfs/dbraw/zinc/01/14/92/660011492.db2.gz UJVSEYOGPIMFLB-INIZCTEOSA-N 2 0 352.479 -0.090 20 0 FBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000904988475 660011590 /nfs/dbraw/zinc/01/15/90/660011590.db2.gz UJVSEYOGPIMFLB-MRXNPFEDSA-N 2 0 352.479 -0.090 20 0 FBADRP [NH3+][C@@H]1CCCCCN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)C1 ZINC000904989519 660011405 /nfs/dbraw/zinc/01/14/05/660011405.db2.gz ZHHVPHVZYUHLKC-BZUAXINKSA-N 2 0 352.479 -0.226 20 0 FBADRP [NH3+][C@@H]1CCCCCN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)C1 ZINC000904989521 660011391 /nfs/dbraw/zinc/01/13/91/660011391.db2.gz ZHHVPHVZYUHLKC-OAGGEKHMSA-N 2 0 352.479 -0.226 20 0 FBADRP [NH3+][C@@H]1CCCCCN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)C1 ZINC000904989523 660011612 /nfs/dbraw/zinc/01/16/12/660011612.db2.gz ZHHVPHVZYUHLKC-OWCLPIDISA-N 2 0 352.479 -0.226 20 0 FBADRP [NH3+][C@@H]1CCCCCN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)C1 ZINC000904989525 660011542 /nfs/dbraw/zinc/01/15/42/660011542.db2.gz ZHHVPHVZYUHLKC-PMPSAXMXSA-N 2 0 352.479 -0.226 20 0 FBADRP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)C1 ZINC000904989705 660011566 /nfs/dbraw/zinc/01/15/66/660011566.db2.gz NMXQCABIZJLJLC-ARFHVFGLSA-N 2 0 352.479 -0.498 20 0 FBADRP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)C1 ZINC000904989706 660011606 /nfs/dbraw/zinc/01/16/06/660011606.db2.gz NMXQCABIZJLJLC-HRCADAONSA-N 2 0 352.479 -0.498 20 0 FBADRP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)C1 ZINC000904989707 660011510 /nfs/dbraw/zinc/01/15/10/660011510.db2.gz NMXQCABIZJLJLC-JYJNAYRXSA-N 2 0 352.479 -0.498 20 0 FBADRP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)C1 ZINC000904989708 660011556 /nfs/dbraw/zinc/01/15/56/660011556.db2.gz NMXQCABIZJLJLC-XHSDSOJGSA-N 2 0 352.479 -0.498 20 0 FBADRP O=C(C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000904990179 660011472 /nfs/dbraw/zinc/01/14/72/660011472.db2.gz OWBIKZNFQPFEJM-IIDMSEBBSA-N 2 0 350.463 -0.602 20 0 FBADRP O=C(C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000904990184 660011442 /nfs/dbraw/zinc/01/14/42/660011442.db2.gz OWBIKZNFQPFEJM-RKVPGOIHSA-N 2 0 350.463 -0.602 20 0 FBADRP O=C(C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000904990186 660011596 /nfs/dbraw/zinc/01/15/96/660011596.db2.gz OWBIKZNFQPFEJM-RVKKMQEKSA-N 2 0 350.463 -0.602 20 0 FBADRP O=C(C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000904990189 660011434 /nfs/dbraw/zinc/01/14/34/660011434.db2.gz OWBIKZNFQPFEJM-VKJFTORMSA-N 2 0 350.463 -0.602 20 0 FBADRP O=C(C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000904990201 660011571 /nfs/dbraw/zinc/01/15/71/660011571.db2.gz OZOFCOPRXJAPIO-FPCVCCKLSA-N 2 0 350.463 -0.746 20 0 FBADRP O=C(C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000904990204 660011534 /nfs/dbraw/zinc/01/15/34/660011534.db2.gz OZOFCOPRXJAPIO-JJXSEGSLSA-N 2 0 350.463 -0.746 20 0 FBADRP O=C(C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000904990206 660011550 /nfs/dbraw/zinc/01/15/50/660011550.db2.gz OZOFCOPRXJAPIO-JONQDZQNSA-N 2 0 350.463 -0.746 20 0 FBADRP O=C(C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000904990208 660011625 /nfs/dbraw/zinc/01/16/25/660011625.db2.gz OZOFCOPRXJAPIO-QXSJWSMHSA-N 2 0 350.463 -0.746 20 0 FBADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000904990571 660011480 /nfs/dbraw/zinc/01/14/80/660011480.db2.gz PLYIWSHTKRAXRD-BZUAXINKSA-N 2 0 354.495 -0.124 20 0 FBADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000904990572 660011545 /nfs/dbraw/zinc/01/15/45/660011545.db2.gz PLYIWSHTKRAXRD-OAGGEKHMSA-N 2 0 354.495 -0.124 20 0 FBADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000904990573 660011593 /nfs/dbraw/zinc/01/15/93/660011593.db2.gz PLYIWSHTKRAXRD-OWCLPIDISA-N 2 0 354.495 -0.124 20 0 FBADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000904990574 660011833 /nfs/dbraw/zinc/01/18/33/660011833.db2.gz PLYIWSHTKRAXRD-PMPSAXMXSA-N 2 0 354.495 -0.124 20 0 FBADRP O=C(C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000904990577 660011771 /nfs/dbraw/zinc/01/17/71/660011771.db2.gz PORVLWGXNCIRIM-FZKCQIBNSA-N 2 0 350.463 -0.603 20 0 FBADRP O=C(C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000904990578 660011730 /nfs/dbraw/zinc/01/17/30/660011730.db2.gz PORVLWGXNCIRIM-QKPAOTATSA-N 2 0 350.463 -0.603 20 0 FBADRP O=C(C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000904990579 660011863 /nfs/dbraw/zinc/01/18/63/660011863.db2.gz PORVLWGXNCIRIM-QXSJWSMHSA-N 2 0 350.463 -0.603 20 0 FBADRP O=C(C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000904990580 660011759 /nfs/dbraw/zinc/01/17/59/660011759.db2.gz PORVLWGXNCIRIM-XUWVNRHRSA-N 2 0 350.463 -0.603 20 0 FBADRP C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC000904990611 660011715 /nfs/dbraw/zinc/01/17/15/660011715.db2.gz QDXQNPKGIVGSGM-BPUTZDHNSA-N 2 0 352.479 -0.370 20 0 FBADRP C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC000904990612 660011744 /nfs/dbraw/zinc/01/17/44/660011744.db2.gz QDXQNPKGIVGSGM-CWRNSKLLSA-N 2 0 352.479 -0.370 20 0 FBADRP C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC000904990613 660011818 /nfs/dbraw/zinc/01/18/18/660011818.db2.gz QDXQNPKGIVGSGM-IMJJTQAJSA-N 2 0 352.479 -0.370 20 0 FBADRP C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC000904990614 660011874 /nfs/dbraw/zinc/01/18/74/660011874.db2.gz QDXQNPKGIVGSGM-NUEKZKHPSA-N 2 0 352.479 -0.370 20 0 FBADRP C[NH2+]CC1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC000904991381 660011805 /nfs/dbraw/zinc/01/18/05/660011805.db2.gz VAVIFQOECNOZJB-CVEARBPZSA-N 2 0 352.479 -0.498 20 0 FBADRP C[NH2+]CC1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC000904991382 660011856 /nfs/dbraw/zinc/01/18/56/660011856.db2.gz VAVIFQOECNOZJB-HOTGVXAUSA-N 2 0 352.479 -0.498 20 0 FBADRP C[NH2+]CC1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC000904991384 660011738 /nfs/dbraw/zinc/01/17/38/660011738.db2.gz VAVIFQOECNOZJB-HZPDHXFCSA-N 2 0 352.479 -0.498 20 0 FBADRP C[NH2+]CC1CCN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC000904991385 660011842 /nfs/dbraw/zinc/01/18/42/660011842.db2.gz VAVIFQOECNOZJB-JKSUJKDBSA-N 2 0 352.479 -0.498 20 0 FBADRP O=C(C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000904991707 660011826 /nfs/dbraw/zinc/01/18/26/660011826.db2.gz XIYXRXIENMSFPJ-IIDMSEBBSA-N 2 0 350.463 -0.744 20 0 FBADRP O=C(C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000904991710 660011786 /nfs/dbraw/zinc/01/17/86/660011786.db2.gz XIYXRXIENMSFPJ-RKVPGOIHSA-N 2 0 350.463 -0.744 20 0 FBADRP O=C(C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000904991711 660011700 /nfs/dbraw/zinc/01/17/00/660011700.db2.gz XIYXRXIENMSFPJ-RVKKMQEKSA-N 2 0 350.463 -0.744 20 0 FBADRP O=C(C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000904991712 660011727 /nfs/dbraw/zinc/01/17/27/660011727.db2.gz XIYXRXIENMSFPJ-VKJFTORMSA-N 2 0 350.463 -0.744 20 0 FBADRP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)CC[NH2+]1 ZINC000904991968 660011751 /nfs/dbraw/zinc/01/17/51/660011751.db2.gz ZZYCJKZFVMJGRW-BZUAXINKSA-N 2 0 352.479 -0.500 20 0 FBADRP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CC[NH2+]1 ZINC000904991969 660011711 /nfs/dbraw/zinc/01/17/11/660011711.db2.gz ZZYCJKZFVMJGRW-OAGGEKHMSA-N 2 0 352.479 -0.500 20 0 FBADRP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)CC[NH2+]1 ZINC000904991970 660011707 /nfs/dbraw/zinc/01/17/07/660011707.db2.gz ZZYCJKZFVMJGRW-OWCLPIDISA-N 2 0 352.479 -0.500 20 0 FBADRP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)CC[NH2+]1 ZINC000904991971 660011953 /nfs/dbraw/zinc/01/19/53/660011953.db2.gz ZZYCJKZFVMJGRW-PMPSAXMXSA-N 2 0 352.479 -0.500 20 0 FBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000904994545 660012208 /nfs/dbraw/zinc/01/22/08/660012208.db2.gz HHKKVDUYVBYUGL-CVEARBPZSA-N 2 0 352.479 -0.090 20 0 FBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000904994547 660012308 /nfs/dbraw/zinc/01/23/08/660012308.db2.gz HHKKVDUYVBYUGL-HOTGVXAUSA-N 2 0 352.479 -0.090 20 0 FBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000904994549 660012288 /nfs/dbraw/zinc/01/22/88/660012288.db2.gz HHKKVDUYVBYUGL-HZPDHXFCSA-N 2 0 352.479 -0.090 20 0 FBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000904994551 660012152 /nfs/dbraw/zinc/01/21/52/660012152.db2.gz HHKKVDUYVBYUGL-JKSUJKDBSA-N 2 0 352.479 -0.090 20 0 FBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000904995483 660012224 /nfs/dbraw/zinc/01/22/24/660012224.db2.gz MMPXLNBFWAVQHT-CVEARBPZSA-N 2 0 352.479 -0.232 20 0 FBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000904995484 660012244 /nfs/dbraw/zinc/01/22/44/660012244.db2.gz MMPXLNBFWAVQHT-HOTGVXAUSA-N 2 0 352.479 -0.232 20 0 FBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000904995485 660012295 /nfs/dbraw/zinc/01/22/95/660012295.db2.gz MMPXLNBFWAVQHT-HZPDHXFCSA-N 2 0 352.479 -0.232 20 0 FBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000904995486 660012259 /nfs/dbraw/zinc/01/22/59/660012259.db2.gz MMPXLNBFWAVQHT-JKSUJKDBSA-N 2 0 352.479 -0.232 20 0 FBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000904996447 660009451 /nfs/dbraw/zinc/00/94/51/660009451.db2.gz QACSMUNCBCKXOE-CRAIPNDOSA-N 2 0 352.479 -0.232 20 0 FBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000904996448 660009485 /nfs/dbraw/zinc/00/94/85/660009485.db2.gz QACSMUNCBCKXOE-MAUKXSAKSA-N 2 0 352.479 -0.232 20 0 FBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000904996450 660009367 /nfs/dbraw/zinc/00/93/67/660009367.db2.gz QACSMUNCBCKXOE-QAPCUYQASA-N 2 0 352.479 -0.232 20 0 FBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000904996451 660009477 /nfs/dbraw/zinc/00/94/77/660009477.db2.gz QACSMUNCBCKXOE-YJBOKZPZSA-N 2 0 352.479 -0.232 20 0 FBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000904999039 660009705 /nfs/dbraw/zinc/00/97/05/660009705.db2.gz WYZUHGVIJNKWOM-CVEARBPZSA-N 2 0 352.479 -0.090 20 0 FBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000904999040 660009686 /nfs/dbraw/zinc/00/96/86/660009686.db2.gz WYZUHGVIJNKWOM-HOTGVXAUSA-N 2 0 352.479 -0.090 20 0 FBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000904999043 660009693 /nfs/dbraw/zinc/00/96/93/660009693.db2.gz WYZUHGVIJNKWOM-HZPDHXFCSA-N 2 0 352.479 -0.090 20 0 FBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000904999046 660009644 /nfs/dbraw/zinc/00/96/44/660009644.db2.gz WYZUHGVIJNKWOM-JKSUJKDBSA-N 2 0 352.479 -0.090 20 0 FBADRP O=C(NCCN1CCOCC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000905004571 660009930 /nfs/dbraw/zinc/00/99/30/660009930.db2.gz OKHYOPKGGQJYSY-CALCHBBNSA-N 2 0 351.495 -0.071 20 0 FBADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)N2CC[C@@H]3CC[C@@]32C[NH3+])CC1 ZINC000905005465 660009947 /nfs/dbraw/zinc/00/99/47/660009947.db2.gz DVIGXCPKSAKHPR-KBXCAEBGSA-N 2 0 352.479 -0.369 20 0 FBADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@]32C[NH3+])CC1 ZINC000905005466 660009957 /nfs/dbraw/zinc/00/99/57/660009957.db2.gz DVIGXCPKSAKHPR-KDOFPFPSSA-N 2 0 352.479 -0.369 20 0 FBADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)N2CC[C@@H]3CC[C@]32C[NH3+])CC1 ZINC000905005467 660009842 /nfs/dbraw/zinc/00/98/42/660009842.db2.gz DVIGXCPKSAKHPR-KSSFIOAISA-N 2 0 352.479 -0.369 20 0 FBADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@]32C[NH3+])CC1 ZINC000905005468 660009880 /nfs/dbraw/zinc/00/98/80/660009880.db2.gz DVIGXCPKSAKHPR-RDTXWAMCSA-N 2 0 352.479 -0.369 20 0 FBADRP CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000905006457 660009900 /nfs/dbraw/zinc/00/99/00/660009900.db2.gz CEOGXPRGFKDYMT-HNNXBMFYSA-N 2 0 353.511 -0.461 20 0 FBADRP CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000905006458 660009856 /nfs/dbraw/zinc/00/98/56/660009856.db2.gz CEOGXPRGFKDYMT-OAHLLOKOSA-N 2 0 353.511 -0.461 20 0 FBADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1CC[C@H]2CC[C@@]21C[NH3+] ZINC000905007009 660010089 /nfs/dbraw/zinc/01/00/89/660010089.db2.gz KNHKNZHWPDTDNM-CRAIPNDOSA-N 2 0 353.511 -0.332 20 0 FBADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000905007010 660010071 /nfs/dbraw/zinc/01/00/71/660010071.db2.gz KNHKNZHWPDTDNM-MAUKXSAKSA-N 2 0 353.511 -0.332 20 0 FBADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1CC[C@H]2CC[C@]21C[NH3+] ZINC000905007011 660010158 /nfs/dbraw/zinc/01/01/58/660010158.db2.gz KNHKNZHWPDTDNM-QAPCUYQASA-N 2 0 353.511 -0.332 20 0 FBADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC000905007012 660010108 /nfs/dbraw/zinc/01/01/08/660010108.db2.gz KNHKNZHWPDTDNM-YJBOKZPZSA-N 2 0 353.511 -0.332 20 0 FBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[C@]32C[NH3+])CCO1 ZINC000905007053 660010179 /nfs/dbraw/zinc/01/01/79/660010179.db2.gz GKUSVTQIUWNQBI-DAYGRLMNSA-N 2 0 352.479 -0.105 20 0 FBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[C@@]32C[NH3+])CCO1 ZINC000905007055 660010086 /nfs/dbraw/zinc/01/00/86/660010086.db2.gz GKUSVTQIUWNQBI-HDMKZQKVSA-N 2 0 352.479 -0.105 20 0 FBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@]32C[NH3+])CCO1 ZINC000905007057 660010117 /nfs/dbraw/zinc/01/01/17/660010117.db2.gz GKUSVTQIUWNQBI-IIDMSEBBSA-N 2 0 352.479 -0.105 20 0 FBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@]32C[NH3+])CCO1 ZINC000905007058 660010052 /nfs/dbraw/zinc/01/00/52/660010052.db2.gz GKUSVTQIUWNQBI-RKVPGOIHSA-N 2 0 352.479 -0.105 20 0 FBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N1CC[C@H]2CC[C@@]21C[NH3+] ZINC000905008269 660010175 /nfs/dbraw/zinc/01/01/75/660010175.db2.gz ONWDMIXUEKDOGC-CRAIPNDOSA-N 2 0 351.495 -0.578 20 0 FBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000905008276 660010041 /nfs/dbraw/zinc/01/00/41/660010041.db2.gz ONWDMIXUEKDOGC-MAUKXSAKSA-N 2 0 351.495 -0.578 20 0 FBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N1CC[C@H]2CC[C@]21C[NH3+] ZINC000905008279 660010360 /nfs/dbraw/zinc/01/03/60/660010360.db2.gz ONWDMIXUEKDOGC-QAPCUYQASA-N 2 0 351.495 -0.578 20 0 FBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC000905008282 660010285 /nfs/dbraw/zinc/01/02/85/660010285.db2.gz ONWDMIXUEKDOGC-YJBOKZPZSA-N 2 0 351.495 -0.578 20 0 FBADRP CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000905008618 660010388 /nfs/dbraw/zinc/01/03/88/660010388.db2.gz OQTNYNBTENGANR-HNNXBMFYSA-N 2 0 353.511 -0.461 20 0 FBADRP CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000905008619 660010299 /nfs/dbraw/zinc/01/02/99/660010299.db2.gz OQTNYNBTENGANR-OAHLLOKOSA-N 2 0 353.511 -0.461 20 0 FBADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N2CC[C@@H]3CC[C@@]32C[NH3+])CC1 ZINC000905011287 660010351 /nfs/dbraw/zinc/01/03/51/660010351.db2.gz WNNQEFDQYIAKSA-KBXCAEBGSA-N 2 0 352.479 -0.105 20 0 FBADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@]32C[NH3+])CC1 ZINC000905011288 660010390 /nfs/dbraw/zinc/01/03/90/660010390.db2.gz WNNQEFDQYIAKSA-KDOFPFPSSA-N 2 0 352.479 -0.105 20 0 FBADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N2CC[C@@H]3CC[C@]32C[NH3+])CC1 ZINC000905011289 660010269 /nfs/dbraw/zinc/01/02/69/660010269.db2.gz WNNQEFDQYIAKSA-KSSFIOAISA-N 2 0 352.479 -0.105 20 0 FBADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@]32C[NH3+])CC1 ZINC000905011290 660010294 /nfs/dbraw/zinc/01/02/94/660010294.db2.gz WNNQEFDQYIAKSA-RDTXWAMCSA-N 2 0 352.479 -0.105 20 0 FBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000905011912 660010402 /nfs/dbraw/zinc/01/04/02/660010402.db2.gz LORIXOYWAGAYFG-GOSISDBHSA-N 2 0 351.495 -0.563 20 0 FBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000905011913 660010338 /nfs/dbraw/zinc/01/03/38/660010338.db2.gz LORIXOYWAGAYFG-SFHVURJKSA-N 2 0 351.495 -0.563 20 0 FBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000905012104 660010621 /nfs/dbraw/zinc/01/06/21/660010621.db2.gz BUYHUQUESZOAJR-INIZCTEOSA-N 2 0 352.479 -0.232 20 0 FBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000905012106 660010566 /nfs/dbraw/zinc/01/05/66/660010566.db2.gz BUYHUQUESZOAJR-MRXNPFEDSA-N 2 0 352.479 -0.232 20 0 FBADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000905012381 660010584 /nfs/dbraw/zinc/01/05/84/660010584.db2.gz MOZCGZKUKSXKMW-GOSISDBHSA-N 2 0 353.511 -0.317 20 0 FBADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000905012382 660010551 /nfs/dbraw/zinc/01/05/51/660010551.db2.gz MOZCGZKUKSXKMW-SFHVURJKSA-N 2 0 353.511 -0.317 20 0 FBADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N2CCC[C@]23CC[NH2+]C3)CC1 ZINC000905013031 660010626 /nfs/dbraw/zinc/01/06/26/660010626.db2.gz OANDYBLOCLXSST-GOSISDBHSA-N 2 0 352.479 -0.090 20 0 FBADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N2CCC[C@@]23CC[NH2+]C3)CC1 ZINC000905013032 660010598 /nfs/dbraw/zinc/01/05/98/660010598.db2.gz OANDYBLOCLXSST-SFHVURJKSA-N 2 0 352.479 -0.090 20 0 FBADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)N2CCC[C@]23CC[NH2+]C3)CC1 ZINC000905013579 660010557 /nfs/dbraw/zinc/01/05/57/660010557.db2.gz QRBMTDOFLXDHSA-GOSISDBHSA-N 2 0 352.479 -0.354 20 0 FBADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)N2CCC[C@@]23CC[NH2+]C3)CC1 ZINC000905013581 660010640 /nfs/dbraw/zinc/01/06/40/660010640.db2.gz QRBMTDOFLXDHSA-SFHVURJKSA-N 2 0 352.479 -0.354 20 0 FBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CCC[C@]23CC[NH2+]C3)CCO1 ZINC000905014424 660010794 /nfs/dbraw/zinc/01/07/94/660010794.db2.gz YHGYPAXZNQJCEZ-CRAIPNDOSA-N 2 0 352.479 -0.090 20 0 FBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CCC[C@]23CC[NH2+]C3)CCO1 ZINC000905014425 660010766 /nfs/dbraw/zinc/01/07/66/660010766.db2.gz YHGYPAXZNQJCEZ-MAUKXSAKSA-N 2 0 352.479 -0.090 20 0 FBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CCC[C@@]23CC[NH2+]C3)CCO1 ZINC000905014426 660010790 /nfs/dbraw/zinc/01/07/90/660010790.db2.gz YHGYPAXZNQJCEZ-QAPCUYQASA-N 2 0 352.479 -0.090 20 0 FBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CCC[C@@]23CC[NH2+]C3)CCO1 ZINC000905014427 660010826 /nfs/dbraw/zinc/01/08/26/660010826.db2.gz YHGYPAXZNQJCEZ-YJBOKZPZSA-N 2 0 352.479 -0.090 20 0 FBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000905015721 660010709 /nfs/dbraw/zinc/01/07/09/660010709.db2.gz QDJUEYAMOIJRAV-INIZCTEOSA-N 2 0 352.479 -0.090 20 0 FBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000905015722 660010773 /nfs/dbraw/zinc/01/07/73/660010773.db2.gz QDJUEYAMOIJRAV-MRXNPFEDSA-N 2 0 352.479 -0.090 20 0 FBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000905017175 660011028 /nfs/dbraw/zinc/01/10/28/660011028.db2.gz TWPZXMJIEJEWPU-AWEZNQCLSA-N 2 0 356.467 -0.998 20 0 FBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000905017176 660011072 /nfs/dbraw/zinc/01/10/72/660011072.db2.gz TWPZXMJIEJEWPU-CQSZACIVSA-N 2 0 356.467 -0.998 20 0 FBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000905020882 660012382 /nfs/dbraw/zinc/01/23/82/660012382.db2.gz AAPONVXNLDMTOK-HNNXBMFYSA-N 2 0 352.479 -0.090 20 0 FBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000905020883 660012455 /nfs/dbraw/zinc/01/24/55/660012455.db2.gz AAPONVXNLDMTOK-OAHLLOKOSA-N 2 0 352.479 -0.090 20 0 FBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000905021362 660012436 /nfs/dbraw/zinc/01/24/36/660012436.db2.gz JPEVOFUZFKCGKK-CVEARBPZSA-N 2 0 352.479 -0.377 20 0 FBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000905021363 660012499 /nfs/dbraw/zinc/01/24/99/660012499.db2.gz JPEVOFUZFKCGKK-HOTGVXAUSA-N 2 0 352.479 -0.377 20 0 FBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000905021364 660012502 /nfs/dbraw/zinc/01/25/02/660012502.db2.gz JPEVOFUZFKCGKK-HZPDHXFCSA-N 2 0 352.479 -0.377 20 0 FBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000905021365 660012427 /nfs/dbraw/zinc/01/24/27/660012427.db2.gz JPEVOFUZFKCGKK-JKSUJKDBSA-N 2 0 352.479 -0.377 20 0 FBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000905021882 660012398 /nfs/dbraw/zinc/01/23/98/660012398.db2.gz ORGXSLSYZMUJPB-CVEARBPZSA-N 2 0 352.479 -0.377 20 0 FBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000905021883 660012450 /nfs/dbraw/zinc/01/24/50/660012450.db2.gz ORGXSLSYZMUJPB-HOTGVXAUSA-N 2 0 352.479 -0.377 20 0 FBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000905021886 660012415 /nfs/dbraw/zinc/01/24/15/660012415.db2.gz ORGXSLSYZMUJPB-HZPDHXFCSA-N 2 0 352.479 -0.377 20 0 FBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000905021888 660012404 /nfs/dbraw/zinc/01/24/04/660012404.db2.gz ORGXSLSYZMUJPB-JKSUJKDBSA-N 2 0 352.479 -0.377 20 0 FBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000905024521 660012637 /nfs/dbraw/zinc/01/26/37/660012637.db2.gz WJNTZPHTGRIFPR-CABCVRRESA-N 2 0 356.467 -0.998 20 0 FBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000905024523 660012646 /nfs/dbraw/zinc/01/26/46/660012646.db2.gz WJNTZPHTGRIFPR-GJZGRUSLSA-N 2 0 356.467 -0.998 20 0 FBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000905024524 660012683 /nfs/dbraw/zinc/01/26/83/660012683.db2.gz WJNTZPHTGRIFPR-HUUCEWRRSA-N 2 0 356.467 -0.998 20 0 FBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000905024526 660012617 /nfs/dbraw/zinc/01/26/17/660012617.db2.gz WJNTZPHTGRIFPR-LSDHHAIUSA-N 2 0 356.467 -0.998 20 0 FBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000905024761 660012700 /nfs/dbraw/zinc/01/27/00/660012700.db2.gz XKNVOSFWRUMCMB-HNNXBMFYSA-N 2 0 352.479 -0.232 20 0 FBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000905024763 660012611 /nfs/dbraw/zinc/01/26/11/660012611.db2.gz XKNVOSFWRUMCMB-OAHLLOKOSA-N 2 0 352.479 -0.232 20 0 FBADRP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2COC)CC1 ZINC000905025101 660012608 /nfs/dbraw/zinc/01/26/08/660012608.db2.gz YSRKAYYFMOSMRG-HNNXBMFYSA-N 2 0 352.479 -0.090 20 0 FBADRP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2COC)CC1 ZINC000905025104 660012755 /nfs/dbraw/zinc/01/27/55/660012755.db2.gz YSRKAYYFMOSMRG-OAHLLOKOSA-N 2 0 352.479 -0.090 20 0 FBADRP C[NH+]1CCN(c2cc(C[NH2+]C[C@H](O)C[C@@]3(O)CCOC3)ccn2)CC1 ZINC000905048858 660012315 /nfs/dbraw/zinc/01/23/15/660012315.db2.gz GBULBMFUQOPFMU-AEFFLSMTSA-N 2 0 350.463 -0.175 20 0 FBADRP C[NH+]1CCN(c2cc(C[NH2+]C[C@@H](O)C[C@]3(O)CCOC3)ccn2)CC1 ZINC000905048859 660012226 /nfs/dbraw/zinc/01/22/26/660012226.db2.gz GBULBMFUQOPFMU-FUHWJXTLSA-N 2 0 350.463 -0.175 20 0 FBADRP C[NH+]1CCN(c2cc(C[NH2+]C[C@H](O)C[C@]3(O)CCOC3)ccn2)CC1 ZINC000905048860 660012376 /nfs/dbraw/zinc/01/23/76/660012376.db2.gz GBULBMFUQOPFMU-SJLPKXTDSA-N 2 0 350.463 -0.175 20 0 FBADRP C[NH+]1CCN(c2cc(C[NH2+]C[C@@H](O)C[C@@]3(O)CCOC3)ccn2)CC1 ZINC000905048861 660012474 /nfs/dbraw/zinc/01/24/74/660012474.db2.gz GBULBMFUQOPFMU-WMZOPIPTSA-N 2 0 350.463 -0.175 20 0 FBADRP C[NH+]1CCN(c2cc(C[NH2+]C[C@H](O)C3(O)CCOCC3)ccn2)CC1 ZINC000905050478 660012463 /nfs/dbraw/zinc/01/24/63/660012463.db2.gz OMVVZCZEUWJIRR-INIZCTEOSA-N 2 0 350.463 -0.175 20 0 FBADRP C[NH+]1CCN(c2cc(C[NH2+]C[C@@H](O)C3(O)CCOCC3)ccn2)CC1 ZINC000905050480 660012411 /nfs/dbraw/zinc/01/24/11/660012411.db2.gz OMVVZCZEUWJIRR-MRXNPFEDSA-N 2 0 350.463 -0.175 20 0 FBADRP C[NH+]1CCN(c2ncccc2C[NH2+]C[C@H](O)C2(O)CCOCC2)CC1 ZINC000905064280 660012861 /nfs/dbraw/zinc/01/28/61/660012861.db2.gz HTLVWJQSDBDPFS-INIZCTEOSA-N 2 0 350.463 -0.175 20 0 FBADRP C[NH+]1CCN(c2ncccc2C[NH2+]C[C@@H](O)C2(O)CCOCC2)CC1 ZINC000905064282 660012956 /nfs/dbraw/zinc/01/29/56/660012956.db2.gz HTLVWJQSDBDPFS-MRXNPFEDSA-N 2 0 350.463 -0.175 20 0 FBADRP C[NH+]1CCN(c2ncccc2C[NH2+]C[C@H](O)C[C@@]2(O)CCOC2)CC1 ZINC000905066776 660012902 /nfs/dbraw/zinc/01/29/02/660012902.db2.gz WUTKEWPDSCLPDX-AEFFLSMTSA-N 2 0 350.463 -0.175 20 0 FBADRP C[NH+]1CCN(c2ncccc2C[NH2+]C[C@@H](O)C[C@]2(O)CCOC2)CC1 ZINC000905066777 660012964 /nfs/dbraw/zinc/01/29/64/660012964.db2.gz WUTKEWPDSCLPDX-FUHWJXTLSA-N 2 0 350.463 -0.175 20 0 FBADRP C[NH+]1CCN(c2ncccc2C[NH2+]C[C@H](O)C[C@]2(O)CCOC2)CC1 ZINC000905066778 660012810 /nfs/dbraw/zinc/01/28/10/660012810.db2.gz WUTKEWPDSCLPDX-SJLPKXTDSA-N 2 0 350.463 -0.175 20 0 FBADRP C[NH+]1CCN(c2ncccc2C[NH2+]C[C@@H](O)C[C@@]2(O)CCOC2)CC1 ZINC000905066779 660012926 /nfs/dbraw/zinc/01/29/26/660012926.db2.gz WUTKEWPDSCLPDX-WMZOPIPTSA-N 2 0 350.463 -0.175 20 0 FBADRP O=C([C@H]1CCCN(S(=O)(=O)CC2CC[NH2+]CC2)C1)N1CC[NH2+]CC1 ZINC000905328948 660016801 /nfs/dbraw/zinc/01/68/01/660016801.db2.gz FNQPDSLKJPKSJH-HNNXBMFYSA-N 2 0 358.508 -0.540 20 0 FBADRP O=C([C@@H]1CCCN(S(=O)(=O)CC2CC[NH2+]CC2)C1)N1CC[NH2+]CC1 ZINC000905328949 660016846 /nfs/dbraw/zinc/01/68/46/660016846.db2.gz FNQPDSLKJPKSJH-OAHLLOKOSA-N 2 0 358.508 -0.540 20 0 FBADRP O=C(NC[C@H]1CCCN(S(=O)(=O)CC2CC[NH2+]CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000905331041 660016848 /nfs/dbraw/zinc/01/68/48/660016848.db2.gz YDRCAGOWAJUZCU-CVEARBPZSA-N 2 0 372.535 -0.104 20 0 FBADRP O=C(NC[C@@H]1CCCN(S(=O)(=O)CC2CC[NH2+]CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000905331042 660016829 /nfs/dbraw/zinc/01/68/29/660016829.db2.gz YDRCAGOWAJUZCU-HOTGVXAUSA-N 2 0 372.535 -0.104 20 0 FBADRP O=C(NC[C@H]1CCCN(S(=O)(=O)CC2CC[NH2+]CC2)C1)[C@H]1CCC[NH2+]1 ZINC000905331043 660016615 /nfs/dbraw/zinc/01/66/15/660016615.db2.gz YDRCAGOWAJUZCU-HZPDHXFCSA-N 2 0 372.535 -0.104 20 0 FBADRP O=C(NC[C@@H]1CCCN(S(=O)(=O)CC2CC[NH2+]CC2)C1)[C@H]1CCC[NH2+]1 ZINC000905331044 660016288 /nfs/dbraw/zinc/01/62/88/660016288.db2.gz YDRCAGOWAJUZCU-JKSUJKDBSA-N 2 0 372.535 -0.104 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(S(=O)(=O)CC2CC[NH2+]CC2)CC1 ZINC000905338923 660016849 /nfs/dbraw/zinc/01/68/49/660016849.db2.gz CRNMQOJHZMIGJW-UHFFFAOYSA-N 2 0 360.524 -0.198 20 0 FBADRP O=C(C[NH+]1CCCC1)N1CCN(S(=O)(=O)CC2CC[NH2+]CC2)CC1 ZINC000905341095 660016967 /nfs/dbraw/zinc/01/69/67/660016967.db2.gz UTGZLOBHCWNWIB-UHFFFAOYSA-N 2 0 358.508 -0.444 20 0 FBADRP O=S(=O)(CC1CC[NH2+]CC1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000905345393 660013579 /nfs/dbraw/zinc/01/35/79/660013579.db2.gz WAHYIAWKKLAYKV-GFCCVEGCSA-N 2 0 358.430 -0.259 20 0 FBADRP O=S(=O)(CC1CC[NH2+]CC1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000905345394 660013533 /nfs/dbraw/zinc/01/35/33/660013533.db2.gz WAHYIAWKKLAYKV-LBPRGKRZSA-N 2 0 358.430 -0.259 20 0 FBADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CCN(S(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC000905357937 660015077 /nfs/dbraw/zinc/01/50/77/660015077.db2.gz BCAJTVQIJMCYAZ-HZSPNIEDSA-N 2 0 358.464 -0.817 20 0 FBADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CCN(S(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC000905357941 660013914 /nfs/dbraw/zinc/01/39/14/660013914.db2.gz BCAJTVQIJMCYAZ-MELADBBJSA-N 2 0 358.464 -0.817 20 0 FBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)CC1 ZINC000905432957 660017207 /nfs/dbraw/zinc/01/72/07/660017207.db2.gz UHURPLXGERVOMP-AWEZNQCLSA-N 2 0 362.540 -0.565 20 0 FBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)CC1 ZINC000905432959 660017198 /nfs/dbraw/zinc/01/71/98/660017198.db2.gz UHURPLXGERVOMP-CQSZACIVSA-N 2 0 362.540 -0.565 20 0 FBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@H](O)C(=O)OCc2ccccc2)CC1 ZINC000905453773 660017201 /nfs/dbraw/zinc/01/72/01/660017201.db2.gz WCMPLLICFSDALG-IRXDYDNUSA-N 2 0 351.447 -0.711 20 0 FBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@H](O)C(=O)OCc2ccccc2)CC1 ZINC000905453774 660017143 /nfs/dbraw/zinc/01/71/43/660017143.db2.gz WCMPLLICFSDALG-SJORKVTESA-N 2 0 351.447 -0.711 20 0 FBADRP CN(c1cccc(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)c1)S(C)(=O)=O ZINC000905698640 660018403 /nfs/dbraw/zinc/01/84/03/660018403.db2.gz JYKXXFBMFZNUPN-KRWDZBQOSA-N 2 0 370.519 -0.220 20 0 FBADRP CN(c1cccc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)c1)S(C)(=O)=O ZINC000905698641 660018326 /nfs/dbraw/zinc/01/83/26/660018326.db2.gz JYKXXFBMFZNUPN-QGZVFWFLSA-N 2 0 370.519 -0.220 20 0 FBADRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H](O)C[C@@]3(O)CCOC3)cn2)CC1 ZINC000905930824 660019108 /nfs/dbraw/zinc/01/91/08/660019108.db2.gz UNUNDLWEKFUPMK-AEFFLSMTSA-N 2 0 350.463 -0.175 20 0 FBADRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H](O)C[C@]3(O)CCOC3)cn2)CC1 ZINC000905930825 660019056 /nfs/dbraw/zinc/01/90/56/660019056.db2.gz UNUNDLWEKFUPMK-FUHWJXTLSA-N 2 0 350.463 -0.175 20 0 FBADRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H](O)C[C@]3(O)CCOC3)cn2)CC1 ZINC000905930826 660019005 /nfs/dbraw/zinc/01/90/05/660019005.db2.gz UNUNDLWEKFUPMK-SJLPKXTDSA-N 2 0 350.463 -0.175 20 0 FBADRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H](O)C[C@@]3(O)CCOC3)cn2)CC1 ZINC000905930827 660019063 /nfs/dbraw/zinc/01/90/63/660019063.db2.gz UNUNDLWEKFUPMK-WMZOPIPTSA-N 2 0 350.463 -0.175 20 0 FBADRP COC(=O)C1CC[NH+](CCCNC(=O)C2CN(C)CC[N@H+](C)C2)CC1 ZINC000906173155 660019903 /nfs/dbraw/zinc/01/99/03/660019903.db2.gz ZXWVHEYCEQDBHB-UHFFFAOYSA-N 2 0 354.495 -0.129 20 0 FBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000906219607 660020040 /nfs/dbraw/zinc/02/00/40/660020040.db2.gz SFDNJNSKHCXPJO-UHFFFAOYSA-N 2 0 350.467 -0.560 20 0 FBADRP CN1CC[N@H+](C)CC(C(=O)N2CCC([NH+]3CCC[C@H]3C(N)=O)CC2)C1 ZINC000906512080 660020810 /nfs/dbraw/zinc/02/08/10/660020810.db2.gz NPJHQVDJTORVQT-INIZCTEOSA-N 2 0 351.495 -0.580 20 0 FBADRP CN1CC[N@H+](C)CC(C(=O)N2CCC([NH+]3CCC[C@@H]3C(N)=O)CC2)C1 ZINC000906512082 660020881 /nfs/dbraw/zinc/02/08/81/660020881.db2.gz NPJHQVDJTORVQT-MRXNPFEDSA-N 2 0 351.495 -0.580 20 0 FBADRP CN1CC[N@H+](C)CC(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000906561217 660021054 /nfs/dbraw/zinc/02/10/54/660021054.db2.gz VXNDHOLEPWGWSG-UHFFFAOYSA-N 2 0 351.495 -0.754 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C2CN(C)CC[N@H+](C)C2)CC1 ZINC000906569153 660021312 /nfs/dbraw/zinc/02/13/12/660021312.db2.gz KVZLQQZWDVEQHI-UHFFFAOYSA-N 2 0 353.511 -0.508 20 0 FBADRP COC(=O)CC(=O)N(C)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000906596756 660021166 /nfs/dbraw/zinc/02/11/66/660021166.db2.gz HJVZVTQCQFUBMA-UHFFFAOYSA-N 2 0 354.451 -0.754 20 0 FBADRP CN1CC[NH+](CC2CCN(C(=O)C3CN(C)CC[N@H+](C)C3)CC2)CC1 ZINC000906628866 660021498 /nfs/dbraw/zinc/02/14/98/660021498.db2.gz DRWDKDDOUWPDCN-UHFFFAOYSA-N 2 0 351.539 -0.034 20 0 FBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C2CN(C)CC[N@H+](C)C2)CC1 ZINC000906632047 660021666 /nfs/dbraw/zinc/02/16/66/660021666.db2.gz LTDIFZIRDBZCEQ-UHFFFAOYSA-N 2 0 353.511 -0.461 20 0 FBADRP CN1CC[N@H+](C)CC(C(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)C1 ZINC000906683574 660021555 /nfs/dbraw/zinc/02/15/55/660021555.db2.gz NQFHAIPMAGFXJJ-UHFFFAOYSA-N 2 0 353.511 -0.604 20 0 FBADRP CN1CC[N@H+](C)CC(C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000906714152 660021967 /nfs/dbraw/zinc/02/19/67/660021967.db2.gz PKVVGHBTIJDYIB-KRWDZBQOSA-N 2 0 353.511 -0.998 20 0 FBADRP CN1CC[N@H+](C)CC(C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000906714153 660021824 /nfs/dbraw/zinc/02/18/24/660021824.db2.gz PKVVGHBTIJDYIB-QGZVFWFLSA-N 2 0 353.511 -0.998 20 0 FBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000906747158 660021881 /nfs/dbraw/zinc/02/18/81/660021881.db2.gz HQMTWQBOACBVTN-CYBMUJFWSA-N 2 0 352.439 -0.780 20 0 FBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000906747160 660021866 /nfs/dbraw/zinc/02/18/66/660021866.db2.gz HQMTWQBOACBVTN-ZDUSSCGKSA-N 2 0 352.439 -0.780 20 0 FBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000906747988 660021909 /nfs/dbraw/zinc/02/19/09/660021909.db2.gz NNGRSPDSEZDUJN-AWEZNQCLSA-N 2 0 352.439 -0.780 20 0 FBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000906747989 660021776 /nfs/dbraw/zinc/02/17/76/660021776.db2.gz NNGRSPDSEZDUJN-CQSZACIVSA-N 2 0 352.439 -0.780 20 0 FBADRP CN1CC[N@H+](C)CC(C(=O)N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000907043000 660024588 /nfs/dbraw/zinc/02/45/88/660024588.db2.gz LQZIUFNXWIKOQM-INIZCTEOSA-N 2 0 351.495 -0.755 20 0 FBADRP CN1CC[N@H+](C)CC(C(=O)N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000907043006 660024476 /nfs/dbraw/zinc/02/44/76/660024476.db2.gz LQZIUFNXWIKOQM-MRXNPFEDSA-N 2 0 351.495 -0.755 20 0 FBADRP CC(C)C[C@H](NC(=O)C1CN(C)CC[N@H+](C)C1)C(=O)NCC[NH+](C)C ZINC000907149711 660026293 /nfs/dbraw/zinc/02/62/93/660026293.db2.gz NZVOTLODULCJHO-INIZCTEOSA-N 2 0 355.527 -0.312 20 0 FBADRP C[C@@H]1CN(C(=O)C2CN(C)CC[N@H+](C)C2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000907177026 660026277 /nfs/dbraw/zinc/02/62/77/660026277.db2.gz QQSQGFOPPICILF-AEFFLSMTSA-N 2 0 351.539 -0.036 20 0 FBADRP C[C@H]1CN(C(=O)C2CN(C)CC[N@H+](C)C2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000907177028 660026342 /nfs/dbraw/zinc/02/63/42/660026342.db2.gz QQSQGFOPPICILF-FUHWJXTLSA-N 2 0 351.539 -0.036 20 0 FBADRP C[C@@H]1CN(C(=O)C2CN(C)CC[N@H+](C)C2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000907177030 660026384 /nfs/dbraw/zinc/02/63/84/660026384.db2.gz QQSQGFOPPICILF-SJLPKXTDSA-N 2 0 351.539 -0.036 20 0 FBADRP C[C@H]1CN(C(=O)C2CN(C)CC[N@H+](C)C2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000907177032 660026317 /nfs/dbraw/zinc/02/63/17/660026317.db2.gz QQSQGFOPPICILF-WMZOPIPTSA-N 2 0 351.539 -0.036 20 0 FBADRP CN1CC[N@H+](C)CC(C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)C1 ZINC000907203908 660026579 /nfs/dbraw/zinc/02/65/79/660026579.db2.gz UILARGQJYSMBLU-UHFFFAOYSA-N 2 0 354.495 -0.835 20 0 FBADRP COC(CNC(=O)C12CC[NH+](CC1)C2)CNC(=O)C12CC[NH+](CC1)C2 ZINC000907314550 660028362 /nfs/dbraw/zinc/02/83/62/660028362.db2.gz RNSZNXQRFJFSHC-UHFFFAOYSA-N 2 0 350.463 -0.575 20 0 FBADRP COC[C@H](CNC(=O)C12CC[NH+](CC1)C2)NC(=O)C12CC[NH+](CC1)C2 ZINC000907604867 660030616 /nfs/dbraw/zinc/03/06/16/660030616.db2.gz JYNKZIPWQYRMKG-AWEZNQCLSA-N 2 0 350.463 -0.575 20 0 FBADRP COC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)NC(=O)C12CC[NH+](CC1)C2 ZINC000907604868 660030657 /nfs/dbraw/zinc/03/06/57/660030657.db2.gz JYNKZIPWQYRMKG-CQSZACIVSA-N 2 0 350.463 -0.575 20 0 FBADRP C[NH+]1CCN(CCCS(=O)(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC000908015614 660032975 /nfs/dbraw/zinc/03/29/75/660032975.db2.gz RMHZQBFVPKXJAP-DLBZAZTESA-N 2 0 374.551 -0.515 20 0 FBADRP C[NH+]1CCN(CCCS(=O)(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC000908015615 660033097 /nfs/dbraw/zinc/03/30/97/660033097.db2.gz RMHZQBFVPKXJAP-IAGOWNOFSA-N 2 0 374.551 -0.515 20 0 FBADRP C[NH+]1CCN(CCCS(=O)(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC000908015616 660033153 /nfs/dbraw/zinc/03/31/53/660033153.db2.gz RMHZQBFVPKXJAP-IRXDYDNUSA-N 2 0 374.551 -0.515 20 0 FBADRP C[NH+]1CCN(CCCS(=O)(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC000908015617 660033056 /nfs/dbraw/zinc/03/30/56/660033056.db2.gz RMHZQBFVPKXJAP-SJORKVTESA-N 2 0 374.551 -0.515 20 0 FBADRP CN1CC[C@H]([NH+]2CCC(NC(=O)C3CN(C)CC[N@H+](C)C3)CC2)C1=O ZINC000908185493 660035021 /nfs/dbraw/zinc/03/50/21/660035021.db2.gz QHSBOUDQESJZPL-INIZCTEOSA-N 2 0 351.495 -0.709 20 0 FBADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)C3CN(C)CC[N@H+](C)C3)CC2)C1=O ZINC000908185494 660034942 /nfs/dbraw/zinc/03/49/42/660034942.db2.gz QHSBOUDQESJZPL-MRXNPFEDSA-N 2 0 351.495 -0.709 20 0 FBADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)C[C@]3(O)CCC[N@H+](C)C3)CC2)C1=O ZINC000908186515 660034856 /nfs/dbraw/zinc/03/48/56/660034856.db2.gz WRDJKPDSCUCLDG-CRAIPNDOSA-N 2 0 352.479 -0.356 20 0 FBADRP CN1CC[C@H]([NH+]2CCC(NC(=O)C[C@]3(O)CCC[N@H+](C)C3)CC2)C1=O ZINC000908186536 660035036 /nfs/dbraw/zinc/03/50/36/660035036.db2.gz WRDJKPDSCUCLDG-MAUKXSAKSA-N 2 0 352.479 -0.356 20 0 FBADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)C[C@@]3(O)CCC[N@H+](C)C3)CC2)C1=O ZINC000908186537 660034915 /nfs/dbraw/zinc/03/49/15/660034915.db2.gz WRDJKPDSCUCLDG-QAPCUYQASA-N 2 0 352.479 -0.356 20 0 FBADRP CN1CC[C@H]([NH+]2CCC(NC(=O)C[C@@]3(O)CCC[N@H+](C)C3)CC2)C1=O ZINC000908186538 660035008 /nfs/dbraw/zinc/03/50/08/660035008.db2.gz WRDJKPDSCUCLDG-YJBOKZPZSA-N 2 0 352.479 -0.356 20 0 FBADRP CN(C[C@@H](O)CNC(=O)C[N@H+](C)C1CCC1)C(=O)C[NH+](C)C1CCC1 ZINC000908371620 660036021 /nfs/dbraw/zinc/03/60/21/660036021.db2.gz JNYZMOWLNKKDER-INIZCTEOSA-N 2 0 354.495 -0.110 20 0 FBADRP CN(C[C@H](O)CNC(=O)C[N@H+](C)C1CCC1)C(=O)C[NH+](C)C1CCC1 ZINC000908371623 660035924 /nfs/dbraw/zinc/03/59/24/660035924.db2.gz JNYZMOWLNKKDER-MRXNPFEDSA-N 2 0 354.495 -0.110 20 0 FBADRP C[N@@H+]1CCC[C@@](O)(CC(=O)NCC(=O)NCC[NH+]2CCCCCC2)C1 ZINC000908377676 660035912 /nfs/dbraw/zinc/03/59/12/660035912.db2.gz NCOWLFZMMVYRNO-GOSISDBHSA-N 2 0 354.495 -0.058 20 0 FBADRP C[N@@H+]1CCC[C@](O)(CC(=O)NCC(=O)NCC[NH+]2CCCCCC2)C1 ZINC000908377677 660036048 /nfs/dbraw/zinc/03/60/48/660036048.db2.gz NCOWLFZMMVYRNO-SFHVURJKSA-N 2 0 354.495 -0.058 20 0 FBADRP CN1CC[N@H+](C)CC(C(=O)NCC(=O)NCC[NH+]2CCCCCC2)C1 ZINC000908378516 660036072 /nfs/dbraw/zinc/03/60/72/660036072.db2.gz XLACKUQMFRRJJJ-UHFFFAOYSA-N 2 0 353.511 -0.412 20 0 FBADRP CC(C)[NH2+]C1(CO)CCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000908599665 660036947 /nfs/dbraw/zinc/03/69/47/660036947.db2.gz XRZICVRJFYMSMN-HNNXBMFYSA-N 2 0 354.495 -0.252 20 0 FBADRP CC(C)[NH2+]C1(CO)CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000908599666 660036963 /nfs/dbraw/zinc/03/69/63/660036963.db2.gz XRZICVRJFYMSMN-OAHLLOKOSA-N 2 0 354.495 -0.252 20 0 FBADRP O=C(CNC(=O)C1C[NH+](C2CCOCC2)C1)NCC[NH+]1CCCCC1 ZINC000909313520 660038531 /nfs/dbraw/zinc/03/85/31/660038531.db2.gz PXCDHMQKIJPDJB-UHFFFAOYSA-N 2 0 352.479 -0.185 20 0 FBADRP C[NH+](C)CCn1ccc(C(=O)NCC(=O)NCC[NH+]2CCCCC2)n1 ZINC000909314507 660038561 /nfs/dbraw/zinc/03/85/61/660038561.db2.gz AXEMIINJXSTKTI-UHFFFAOYSA-N 2 0 350.467 -0.223 20 0 FBADRP C[NH+](C)CCn1nccc1C(=O)NCC(=O)NCC[NH+]1CCCCC1 ZINC000909316417 660038601 /nfs/dbraw/zinc/03/86/01/660038601.db2.gz XEULXYDCSHUYSH-UHFFFAOYSA-N 2 0 350.467 -0.223 20 0 FBADRP C[NH+](C)CCn1cc(C(=O)NCC(=O)NCC[NH+]2CCCCC2)cn1 ZINC000909316430 660038522 /nfs/dbraw/zinc/03/85/22/660038522.db2.gz XRUCWXVNXNCXKJ-UHFFFAOYSA-N 2 0 350.467 -0.223 20 0 FBADRP CC[NH+]1CCN(CCC(=O)NCC(=O)NCC[NH+]2CCCCC2)CC1 ZINC000909327351 658694112 /nfs/dbraw/zinc/69/41/12/658694112.db2.gz VIMCEPWPPJIQLL-UHFFFAOYSA-N 2 0 353.511 -0.268 20 0 FBADRP C[N@@H+]1CCC[C@@](O)(CC(=O)N2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)C1 ZINC000909368586 658794302 /nfs/dbraw/zinc/79/43/02/658794302.db2.gz WHGASHGWMJOHTD-CRAIPNDOSA-N 2 0 352.479 -0.354 20 0 FBADRP C[N@@H+]1CCC[C@@](O)(CC(=O)N2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)C1 ZINC000909368587 658794518 /nfs/dbraw/zinc/79/45/18/658794518.db2.gz WHGASHGWMJOHTD-MAUKXSAKSA-N 2 0 352.479 -0.354 20 0 FBADRP C[N@@H+]1CCC[C@](O)(CC(=O)N2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)C1 ZINC000909368588 658794367 /nfs/dbraw/zinc/79/43/67/658794367.db2.gz WHGASHGWMJOHTD-QAPCUYQASA-N 2 0 352.479 -0.354 20 0 FBADRP C[N@@H+]1CCC[C@](O)(CC(=O)N2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)C1 ZINC000909368589 658794677 /nfs/dbraw/zinc/79/46/77/658794677.db2.gz WHGASHGWMJOHTD-YJBOKZPZSA-N 2 0 352.479 -0.354 20 0 FBADRP CN1CC[N@H+](C)CC(C(=O)N2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)C1 ZINC000909368603 658794594 /nfs/dbraw/zinc/79/45/94/658794594.db2.gz WRLCYGUAGPAXAL-INIZCTEOSA-N 2 0 351.495 -0.707 20 0 FBADRP CN1CC[N@H+](C)CC(C(=O)N2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)C1 ZINC000909368604 658794492 /nfs/dbraw/zinc/79/44/92/658794492.db2.gz WRLCYGUAGPAXAL-MRXNPFEDSA-N 2 0 351.495 -0.707 20 0 FBADRP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000910405388 660039746 /nfs/dbraw/zinc/03/97/46/660039746.db2.gz GNINDTJYKLMCSN-DOTOQJQBSA-N 2 0 354.495 -0.646 20 0 FBADRP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000910405389 660039912 /nfs/dbraw/zinc/03/99/12/660039912.db2.gz GNINDTJYKLMCSN-NVXWUHKLSA-N 2 0 354.495 -0.646 20 0 FBADRP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000910405390 660039892 /nfs/dbraw/zinc/03/98/92/660039892.db2.gz GNINDTJYKLMCSN-RDJZCZTQSA-N 2 0 354.495 -0.646 20 0 FBADRP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000910405391 660039764 /nfs/dbraw/zinc/03/97/64/660039764.db2.gz GNINDTJYKLMCSN-WBVHZDCISA-N 2 0 354.495 -0.646 20 0 FBADRP COC(=O)[C@@H]1CN(C(=O)CCN2CC[NH+](C(C)C)CC2)CC[N@H+](C)C1 ZINC000910413386 660039825 /nfs/dbraw/zinc/03/98/25/660039825.db2.gz NVPBEVFXHAKBRA-INIZCTEOSA-N 2 0 354.495 -0.034 20 0 FBADRP COC(=O)[C@H]1CN(C(=O)CCN2CC[NH+](C(C)C)CC2)CC[N@H+](C)C1 ZINC000910413387 660039921 /nfs/dbraw/zinc/03/99/21/660039921.db2.gz NVPBEVFXHAKBRA-MRXNPFEDSA-N 2 0 354.495 -0.034 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000910614232 660041971 /nfs/dbraw/zinc/04/19/71/660041971.db2.gz VHMGHSREWUFKCA-CVEARBPZSA-N 2 0 354.495 -0.034 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]([C@@H]2CCCO2)C1 ZINC000910614233 660041836 /nfs/dbraw/zinc/04/18/36/660041836.db2.gz VHMGHSREWUFKCA-HOTGVXAUSA-N 2 0 354.495 -0.034 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]([C@H]2CCCO2)C1 ZINC000910614234 660041843 /nfs/dbraw/zinc/04/18/43/660041843.db2.gz VHMGHSREWUFKCA-HZPDHXFCSA-N 2 0 354.495 -0.034 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]([C@H]2CCCO2)C1 ZINC000910614235 660041966 /nfs/dbraw/zinc/04/19/66/660041966.db2.gz VHMGHSREWUFKCA-JKSUJKDBSA-N 2 0 354.495 -0.034 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000910614725 660041822 /nfs/dbraw/zinc/04/18/22/660041822.db2.gz ZKSULCTZDNOYPX-MAUKXSAKSA-N 3 0 353.511 -0.652 20 0 FBADRP CN1CCN(C(=O)C(=O)N2CCN(C[C@@H]3CCOC3)CC2)CC1(C)C ZINC000910686288 660045223 /nfs/dbraw/zinc/04/52/23/660045223.db2.gz AUKDEFFFMZGTPQ-HNNXBMFYSA-N 2 0 352.479 -0.280 20 0 FBADRP CN1CCN(C(=O)C(=O)N2CCN(C[C@H]3CCOC3)CC2)CC1(C)C ZINC000910686290 660045341 /nfs/dbraw/zinc/04/53/41/660045341.db2.gz AUKDEFFFMZGTPQ-OAHLLOKOSA-N 2 0 352.479 -0.280 20 0 FBADRP CCN1CC[C@@H]1CNC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000910765866 660048647 /nfs/dbraw/zinc/04/86/47/660048647.db2.gz LLZHDVWOLLUSAF-BZUAXINKSA-N 2 0 353.511 -0.605 20 0 FBADRP CCN1CC[C@H]1CNC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000910765868 660048686 /nfs/dbraw/zinc/04/86/86/660048686.db2.gz LLZHDVWOLLUSAF-OAGGEKHMSA-N 2 0 353.511 -0.605 20 0 FBADRP CCO[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC000910766162 660048644 /nfs/dbraw/zinc/04/86/44/660048644.db2.gz NFIIVEQUNJLXPD-OAGGEKHMSA-N 2 0 354.495 -0.178 20 0 FBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[NH+]2CCO ZINC000910919504 660055098 /nfs/dbraw/zinc/05/50/98/660055098.db2.gz MDOUPRWURLZYHC-CVEARBPZSA-N 2 0 352.479 -0.403 20 0 FBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[NH+]2CCO ZINC000910919505 660055227 /nfs/dbraw/zinc/05/52/27/660055227.db2.gz MDOUPRWURLZYHC-HOTGVXAUSA-N 2 0 352.479 -0.403 20 0 FBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[NH+]2CCO ZINC000910919506 660055187 /nfs/dbraw/zinc/05/51/87/660055187.db2.gz MDOUPRWURLZYHC-HZPDHXFCSA-N 2 0 352.479 -0.403 20 0 FBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CC[C@H]2[C@H]1CCC[NH+]2CCO ZINC000910919507 660054983 /nfs/dbraw/zinc/05/49/83/660054983.db2.gz MDOUPRWURLZYHC-JKSUJKDBSA-N 2 0 352.479 -0.403 20 0 FBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[NH+]2CCO ZINC000910920002 660055015 /nfs/dbraw/zinc/05/50/15/660055015.db2.gz OXOXXXSGPLTMJS-ARFHVFGLSA-N 2 0 352.479 -0.403 20 0 FBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CC[C@H]2[C@H]1CCC[NH+]2CCO ZINC000910920003 660055157 /nfs/dbraw/zinc/05/51/57/660055157.db2.gz OXOXXXSGPLTMJS-HRCADAONSA-N 2 0 352.479 -0.403 20 0 FBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[NH+]2CCO ZINC000910920004 660055202 /nfs/dbraw/zinc/05/52/02/660055202.db2.gz OXOXXXSGPLTMJS-JYJNAYRXSA-N 2 0 352.479 -0.403 20 0 FBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[NH+]2CCO ZINC000910920005 660054954 /nfs/dbraw/zinc/05/49/54/660054954.db2.gz OXOXXXSGPLTMJS-XHSDSOJGSA-N 2 0 352.479 -0.403 20 0 FBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000910923818 660055681 /nfs/dbraw/zinc/05/56/81/660055681.db2.gz LKYXSZFHRBMQIV-CVEARBPZSA-N 2 0 352.479 -0.402 20 0 FBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000910923820 660055670 /nfs/dbraw/zinc/05/56/70/660055670.db2.gz LKYXSZFHRBMQIV-HOTGVXAUSA-N 2 0 352.479 -0.402 20 0 FBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000910923821 660055808 /nfs/dbraw/zinc/05/58/08/660055808.db2.gz LKYXSZFHRBMQIV-HZPDHXFCSA-N 2 0 352.479 -0.402 20 0 FBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000910923822 660055919 /nfs/dbraw/zinc/05/59/19/660055919.db2.gz LKYXSZFHRBMQIV-JKSUJKDBSA-N 2 0 352.479 -0.402 20 0 FBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)C1 ZINC000910925542 660056048 /nfs/dbraw/zinc/05/60/48/660056048.db2.gz PBOWIVFVVKASRM-BZUAXINKSA-N 2 0 352.479 -0.403 20 0 FBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)C1 ZINC000910925543 660055880 /nfs/dbraw/zinc/05/58/80/660055880.db2.gz PBOWIVFVVKASRM-OAGGEKHMSA-N 2 0 352.479 -0.403 20 0 FBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)C1 ZINC000910925544 660055911 /nfs/dbraw/zinc/05/59/11/660055911.db2.gz PBOWIVFVVKASRM-OWCLPIDISA-N 2 0 352.479 -0.403 20 0 FBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)C1 ZINC000910925545 660056022 /nfs/dbraw/zinc/05/60/22/660056022.db2.gz PBOWIVFVVKASRM-PMPSAXMXSA-N 2 0 352.479 -0.403 20 0 FBADRP [NH3+]C1(CNC(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CC1 ZINC000910948992 660056388 /nfs/dbraw/zinc/05/63/88/660056388.db2.gz DPMOSKXUFNOSNP-UHFFFAOYSA-N 2 0 352.479 -0.007 20 0 FBADRP C[NH+](C)CC1(CNC(=O)C(=O)NCCN2CCC([NH3+])CC2)CCCC1 ZINC000910949423 660056202 /nfs/dbraw/zinc/05/62/02/660056202.db2.gz JGYUGXPQPOAECS-UHFFFAOYSA-N 2 0 353.511 -0.236 20 0 FBADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1)c1cccs1 ZINC000910954287 660056714 /nfs/dbraw/zinc/05/67/14/660056714.db2.gz YTBDDYDXFQJILZ-BLLLJJGKSA-N 2 0 354.476 -0.221 20 0 FBADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1)c1cccs1 ZINC000910954289 660056614 /nfs/dbraw/zinc/05/66/14/660056614.db2.gz YTBDDYDXFQJILZ-LRDDRELGSA-N 2 0 354.476 -0.221 20 0 FBADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1)c1cccs1 ZINC000910954291 660056520 /nfs/dbraw/zinc/05/65/20/660056520.db2.gz YTBDDYDXFQJILZ-MLGOLLRUSA-N 2 0 354.476 -0.221 20 0 FBADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1)c1cccs1 ZINC000910954293 660056669 /nfs/dbraw/zinc/05/66/69/660056669.db2.gz YTBDDYDXFQJILZ-WBMJQRKESA-N 2 0 354.476 -0.221 20 0 FBADRP CC(C)(CNC(=O)C(=O)NCCN1CCC([NH3+])CC1)[NH+]1CCCCC1 ZINC000910959779 660056674 /nfs/dbraw/zinc/05/66/74/660056674.db2.gz RGWFFEWSMNRLPX-UHFFFAOYSA-N 2 0 353.511 -0.094 20 0 FBADRP CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)CC1 ZINC000910962398 660056723 /nfs/dbraw/zinc/05/67/23/660056723.db2.gz CYVAXQRHRKJCFN-HNNXBMFYSA-N 2 0 352.479 -0.138 20 0 FBADRP CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)CC1 ZINC000910962399 660056555 /nfs/dbraw/zinc/05/65/55/660056555.db2.gz CYVAXQRHRKJCFN-OAHLLOKOSA-N 2 0 352.479 -0.138 20 0 FBADRP CC[NH+]1CCC(NC(=O)C(=O)N2CCC3(CO[C@H](C[NH3+])C3)CC2)CC1 ZINC000910962872 660056633 /nfs/dbraw/zinc/05/66/33/660056633.db2.gz HBJYZPGVAKSKJE-HNNXBMFYSA-N 2 0 352.479 -0.057 20 0 FBADRP CC[NH+]1CCC(NC(=O)C(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)CC1 ZINC000910962874 660056512 /nfs/dbraw/zinc/05/65/12/660056512.db2.gz HBJYZPGVAKSKJE-OAHLLOKOSA-N 2 0 352.479 -0.057 20 0 FBADRP CC[NH+]1CCC(NC(=O)C(=O)N2CC[NH2+]CCC23CCOCC3)CC1 ZINC000910963243 660056708 /nfs/dbraw/zinc/05/67/08/660056708.db2.gz KLDAGDAXSXKAJF-UHFFFAOYSA-N 2 0 352.479 -0.042 20 0 FBADRP CC[NH+]1CCC(NC(=O)C(=O)NCCCCCN2CC[NH2+]CC2)CC1 ZINC000910964384 660056882 /nfs/dbraw/zinc/05/68/82/660056882.db2.gz UFQKKUVZZBXVCK-UHFFFAOYSA-N 2 0 353.511 -0.221 20 0 FBADRP CC(C)(C)[NH+]1CCC(NC(=O)C(=O)NCCN2CCC([NH3+])CC2)CC1 ZINC000910969787 660056836 /nfs/dbraw/zinc/05/68/36/660056836.db2.gz HNRPXEWLLYUQJF-UHFFFAOYSA-N 2 0 353.511 -0.095 20 0 FBADRP CC[NH+]1CCC(CCNC(=O)C(=O)NCCN2CCC([NH3+])CC2)CC1 ZINC000910979191 660057068 /nfs/dbraw/zinc/05/70/68/660057068.db2.gz WDOUXJCOSMERJU-UHFFFAOYSA-N 2 0 353.511 -0.236 20 0 FBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000910983622 660057146 /nfs/dbraw/zinc/05/71/46/660057146.db2.gz IXYRTLAASXYLRA-CABCVRRESA-N 2 0 356.467 -0.950 20 0 FBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000910983623 660057047 /nfs/dbraw/zinc/05/70/47/660057047.db2.gz IXYRTLAASXYLRA-GJZGRUSLSA-N 2 0 356.467 -0.950 20 0 FBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000910983624 660057062 /nfs/dbraw/zinc/05/70/62/660057062.db2.gz IXYRTLAASXYLRA-HUUCEWRRSA-N 2 0 356.467 -0.950 20 0 FBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000910983625 660057134 /nfs/dbraw/zinc/05/71/34/660057134.db2.gz IXYRTLAASXYLRA-LSDHHAIUSA-N 2 0 356.467 -0.950 20 0 FBADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CC[C@H]3CC[C@@]32C[NH3+])CCCO1 ZINC000910984125 660057029 /nfs/dbraw/zinc/05/70/29/660057029.db2.gz LLLCPHQNUNXSGH-IIDMSEBBSA-N 2 0 352.479 -0.057 20 0 FBADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CC[C@H]3CC[C@]32C[NH3+])CCCO1 ZINC000910984127 660057123 /nfs/dbraw/zinc/05/71/23/660057123.db2.gz LLLCPHQNUNXSGH-RKVPGOIHSA-N 2 0 352.479 -0.057 20 0 FBADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CC[C@@H]3CC[C@@]32C[NH3+])CCCO1 ZINC000910984129 660057118 /nfs/dbraw/zinc/05/71/18/660057118.db2.gz LLLCPHQNUNXSGH-RVKKMQEKSA-N 2 0 352.479 -0.057 20 0 FBADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CC[C@@H]3CC[C@]32C[NH3+])CCCO1 ZINC000910984131 660057024 /nfs/dbraw/zinc/05/70/24/660057024.db2.gz LLLCPHQNUNXSGH-VKJFTORMSA-N 2 0 352.479 -0.057 20 0 FBADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CCC[C@]23CC[NH2+]C3)CCCO1 ZINC000910984658 660057083 /nfs/dbraw/zinc/05/70/83/660057083.db2.gz PBDHPBBBHLEEEE-CRAIPNDOSA-N 2 0 352.479 -0.042 20 0 FBADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2CCC[C@]23CC[NH2+]C3)CCCO1 ZINC000910984659 660057040 /nfs/dbraw/zinc/05/70/40/660057040.db2.gz PBDHPBBBHLEEEE-MAUKXSAKSA-N 2 0 352.479 -0.042 20 0 FBADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CCC[C@@]23CC[NH2+]C3)CCCO1 ZINC000910984660 660057080 /nfs/dbraw/zinc/05/70/80/660057080.db2.gz PBDHPBBBHLEEEE-QAPCUYQASA-N 2 0 352.479 -0.042 20 0 FBADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2CCC[C@@]23CC[NH2+]C3)CCCO1 ZINC000910984661 660057033 /nfs/dbraw/zinc/05/70/33/660057033.db2.gz PBDHPBBBHLEEEE-YJBOKZPZSA-N 2 0 352.479 -0.042 20 0 FBADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CCCO1 ZINC000910984885 660057141 /nfs/dbraw/zinc/05/71/41/660057141.db2.gz PQTRDZNBIHKSLL-HRCADAONSA-N 2 0 352.479 -0.329 20 0 FBADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CCCO1 ZINC000910984886 660057087 /nfs/dbraw/zinc/05/70/87/660057087.db2.gz PQTRDZNBIHKSLL-OWCLPIDISA-N 2 0 352.479 -0.329 20 0 FBADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000910985280 660057021 /nfs/dbraw/zinc/05/70/21/660057021.db2.gz VMNNFSSVVRTSDQ-BZUAXINKSA-N 2 0 354.495 -0.035 20 0 FBADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000910985281 660057106 /nfs/dbraw/zinc/05/71/06/660057106.db2.gz VMNNFSSVVRTSDQ-OWCLPIDISA-N 2 0 354.495 -0.035 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NCC[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000910990308 660057334 /nfs/dbraw/zinc/05/73/34/660057334.db2.gz BQWMVJDGIIWWBG-BZUAXINKSA-N 2 0 354.495 -0.179 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NCC[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000910990310 660057373 /nfs/dbraw/zinc/05/73/73/660057373.db2.gz BQWMVJDGIIWWBG-OAGGEKHMSA-N 2 0 354.495 -0.179 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000910991497 660057300 /nfs/dbraw/zinc/05/73/00/660057300.db2.gz GUCKPAZFTKDAGD-XHSDSOJGSA-N 2 0 352.479 -0.473 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC[C@]23CC[NH2+]C3)C1 ZINC000910992587 660057345 /nfs/dbraw/zinc/05/73/45/660057345.db2.gz MUUPBOGBNFTWFP-CRAIPNDOSA-N 2 0 352.479 -0.186 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC[C@]23CC[NH2+]C3)C1 ZINC000910992588 660057365 /nfs/dbraw/zinc/05/73/65/660057365.db2.gz MUUPBOGBNFTWFP-MAUKXSAKSA-N 2 0 352.479 -0.186 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC[C@@]23CC[NH2+]C3)C1 ZINC000910992589 660057339 /nfs/dbraw/zinc/05/73/39/660057339.db2.gz MUUPBOGBNFTWFP-QAPCUYQASA-N 2 0 352.479 -0.186 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC[C@@]23CC[NH2+]C3)C1 ZINC000910992590 660057708 /nfs/dbraw/zinc/05/77/08/660057708.db2.gz MUUPBOGBNFTWFP-YJBOKZPZSA-N 2 0 352.479 -0.186 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2C[C@@H](C)[C@H](CC[NH3+])C2)C1 ZINC000910992609 660057691 /nfs/dbraw/zinc/05/76/91/660057691.db2.gz NLYHYANKBYWPHR-BZUAXINKSA-N 2 0 354.495 -0.097 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2C[C@@H](C)[C@H](CC[NH3+])C2)C1 ZINC000910992610 660057662 /nfs/dbraw/zinc/05/76/62/660057662.db2.gz NLYHYANKBYWPHR-OAGGEKHMSA-N 2 0 354.495 -0.097 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@@H]3CC[C@]32C[NH3+])C1 ZINC000910993098 660057724 /nfs/dbraw/zinc/05/77/24/660057724.db2.gz PLIOFMANVNKYPZ-DAYGRLMNSA-N 2 0 352.479 -0.201 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@@H]3CC[C@@]32C[NH3+])C1 ZINC000910993099 660057571 /nfs/dbraw/zinc/05/75/71/660057571.db2.gz PLIOFMANVNKYPZ-HDMKZQKVSA-N 2 0 352.479 -0.201 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@H]3CC[C@@]32C[NH3+])C1 ZINC000910993100 660057643 /nfs/dbraw/zinc/05/76/43/660057643.db2.gz PLIOFMANVNKYPZ-IIDMSEBBSA-N 2 0 352.479 -0.201 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@H]3CC[C@]32C[NH3+])C1 ZINC000910993101 660057702 /nfs/dbraw/zinc/05/77/02/660057702.db2.gz PLIOFMANVNKYPZ-RKVPGOIHSA-N 2 0 352.479 -0.201 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@H](C[NH3+])[C@@H](C)C2)C1 ZINC000910993565 660057532 /nfs/dbraw/zinc/05/75/32/660057532.db2.gz RQGNMKIQDOCXQA-ARFHVFGLSA-N 2 0 354.495 -0.097 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@H](C[NH3+])[C@H](C)C2)C1 ZINC000910993566 660057613 /nfs/dbraw/zinc/05/76/13/660057613.db2.gz RQGNMKIQDOCXQA-BZUAXINKSA-N 2 0 354.495 -0.097 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@@H](C[NH3+])[C@@H](C)C2)C1 ZINC000910993567 660057713 /nfs/dbraw/zinc/05/77/13/660057713.db2.gz RQGNMKIQDOCXQA-HRCADAONSA-N 2 0 354.495 -0.097 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@@H](C[NH3+])[C@H](C)C2)C1 ZINC000910993568 660057515 /nfs/dbraw/zinc/05/75/15/660057515.db2.gz RQGNMKIQDOCXQA-OWCLPIDISA-N 2 0 354.495 -0.097 20 0 FBADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCNCC[NH2+]CC2)CCCCCC1 ZINC000910994774 660057716 /nfs/dbraw/zinc/05/77/16/660057716.db2.gz ZHPGXZBNOONPRK-UHFFFAOYSA-N 2 0 353.511 -0.221 20 0 FBADRP C[C@@H]1CCC[C@@](CNC(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)([NH+](C)C)C1 ZINC000910998868 660056869 /nfs/dbraw/zinc/05/68/69/660056869.db2.gz GADSPLHWBILBSD-FHLIZLRMSA-N 2 0 354.495 -0.075 20 0 FBADRP C[C@@H]1CCC[C@](CNC(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)([NH+](C)C)C1 ZINC000910998869 660056899 /nfs/dbraw/zinc/05/68/99/660056899.db2.gz GADSPLHWBILBSD-JLSDUUJJSA-N 2 0 354.495 -0.075 20 0 FBADRP C[C@@H]1CCC[C@](CNC(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)([NH+](C)C)C1 ZINC000910998870 660056895 /nfs/dbraw/zinc/05/68/95/660056895.db2.gz GADSPLHWBILBSD-OLMNPRSZSA-N 2 0 354.495 -0.075 20 0 FBADRP C[C@@H]1CCC[C@@](CNC(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)([NH+](C)C)C1 ZINC000910998871 660056881 /nfs/dbraw/zinc/05/68/81/660056881.db2.gz GADSPLHWBILBSD-ZTFGCOKTSA-N 2 0 354.495 -0.075 20 0 FBADRP O=C(NCCCCC[NH+]1CCCCC1)C(=O)N1CCNCC[NH2+]CC1 ZINC000911000187 660057887 /nfs/dbraw/zinc/05/78/87/660057887.db2.gz DQEOOHTYFJWNQS-UHFFFAOYSA-N 2 0 353.511 -0.220 20 0 FBADRP C[C@@H]1CCC[C@@](CNC(=O)C(=O)N2CCNCC[NH2+]CC2)([NH+](C)C)C1 ZINC000911001553 660057909 /nfs/dbraw/zinc/05/79/09/660057909.db2.gz WXZBWSPVAJDOOO-CRAIPNDOSA-N 2 0 353.511 -0.366 20 0 FBADRP C[C@H]1CCC[C@@](CNC(=O)C(=O)N2CCNCC[NH2+]CC2)([NH+](C)C)C1 ZINC000911001555 660057801 /nfs/dbraw/zinc/05/78/01/660057801.db2.gz WXZBWSPVAJDOOO-MAUKXSAKSA-N 2 0 353.511 -0.366 20 0 FBADRP C[C@@H]1CCC[C@](CNC(=O)C(=O)N2CCNCC[NH2+]CC2)([NH+](C)C)C1 ZINC000911001556 660057875 /nfs/dbraw/zinc/05/78/75/660057875.db2.gz WXZBWSPVAJDOOO-QAPCUYQASA-N 2 0 353.511 -0.366 20 0 FBADRP C[C@H]1CCC[C@](CNC(=O)C(=O)N2CCNCC[NH2+]CC2)([NH+](C)C)C1 ZINC000911001557 660057915 /nfs/dbraw/zinc/05/79/15/660057915.db2.gz WXZBWSPVAJDOOO-YJBOKZPZSA-N 2 0 353.511 -0.366 20 0 FBADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)CC1 ZINC000911002937 660058131 /nfs/dbraw/zinc/05/81/31/660058131.db2.gz DDCRTRLGADCFCR-GOSISDBHSA-N 2 0 352.479 -0.042 20 0 FBADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@]3(C2)CCCC[NH2+]3)CC1 ZINC000911002938 660058117 /nfs/dbraw/zinc/05/81/17/660058117.db2.gz DDCRTRLGADCFCR-SFHVURJKSA-N 2 0 352.479 -0.042 20 0 FBADRP COCC[NH+]1CCC(NC(=O)C(=O)NC[C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000911003834 660058159 /nfs/dbraw/zinc/05/81/59/660058159.db2.gz LOZRVVCJBUVLBM-CRAIPNDOSA-N 2 0 352.479 -0.138 20 0 FBADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]3CC[C@@]32C[NH3+])CC1 ZINC000911004726 660058173 /nfs/dbraw/zinc/05/81/73/660058173.db2.gz SBLOSMVZPOCUKY-KBXCAEBGSA-N 2 0 352.479 -0.057 20 0 FBADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]3CC[C@]32C[NH3+])CC1 ZINC000911004727 660058098 /nfs/dbraw/zinc/05/80/98/660058098.db2.gz SBLOSMVZPOCUKY-KDOFPFPSSA-N 2 0 352.479 -0.057 20 0 FBADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]3CC[C@]32C[NH3+])CC1 ZINC000911004728 660058119 /nfs/dbraw/zinc/05/81/19/660058119.db2.gz SBLOSMVZPOCUKY-KSSFIOAISA-N 2 0 352.479 -0.057 20 0 FBADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]3CC[C@@]32C[NH3+])CC1 ZINC000911004729 660058094 /nfs/dbraw/zinc/05/80/94/660058094.db2.gz SBLOSMVZPOCUKY-RDTXWAMCSA-N 2 0 352.479 -0.057 20 0 FBADRP CCC[NH+]1CCC(CNC(=O)C(=O)NCCN2CCC([NH3+])CC2)CC1 ZINC000911004917 660058104 /nfs/dbraw/zinc/05/81/04/660058104.db2.gz VADPYZGYVNDIRS-UHFFFAOYSA-N 2 0 353.511 -0.236 20 0 FBADRP COCC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)CC1 ZINC000911004924 660058167 /nfs/dbraw/zinc/05/81/67/660058167.db2.gz VEXYEZFREGCCGB-VXGBXAGGSA-N 2 0 366.384 -0.439 20 0 FBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+](CCOC)CC1 ZINC000911005202 660058176 /nfs/dbraw/zinc/05/81/76/660058176.db2.gz WYMABLWKJLDTQL-HNNXBMFYSA-N 2 0 356.467 -0.950 20 0 FBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+](CCOC)CC1 ZINC000911005203 660058100 /nfs/dbraw/zinc/05/81/00/660058100.db2.gz WYMABLWKJLDTQL-OAHLLOKOSA-N 2 0 356.467 -0.950 20 0 FBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCCCCN2CC[NH2+]CC2)CC[N@@H+]1C ZINC000911007364 660058080 /nfs/dbraw/zinc/05/80/80/660058080.db2.gz JFTILPCFXVPLFN-CVEARBPZSA-N 2 0 353.511 -0.223 20 0 FBADRP C[C@H]1C[C@@H](NC(=O)C(=O)NCCCCCN2CC[NH2+]CC2)CC[N@@H+]1C ZINC000911007365 660058123 /nfs/dbraw/zinc/05/81/23/660058123.db2.gz JFTILPCFXVPLFN-HOTGVXAUSA-N 2 0 353.511 -0.223 20 0 FBADRP C[C@@H]1C[C@H](NC(=O)C(=O)NCCCCCN2CC[NH2+]CC2)CC[N@@H+]1C ZINC000911007366 660058168 /nfs/dbraw/zinc/05/81/68/660058168.db2.gz JFTILPCFXVPLFN-HZPDHXFCSA-N 2 0 353.511 -0.223 20 0 FBADRP C[C@H]1C[C@H](NC(=O)C(=O)NCCCCCN2CC[NH2+]CC2)CC[N@@H+]1C ZINC000911007367 660058106 /nfs/dbraw/zinc/05/81/06/660058106.db2.gz JFTILPCFXVPLFN-JKSUJKDBSA-N 2 0 353.511 -0.223 20 0 FBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)CC[N@@H+]1C ZINC000911007953 660058147 /nfs/dbraw/zinc/05/81/47/660058147.db2.gz LQWUSEYIKLDPJG-ILXRZTDVSA-N 2 0 352.479 -0.140 20 0 FBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)CC[N@@H+]1C ZINC000911007955 660058096 /nfs/dbraw/zinc/05/80/96/660058096.db2.gz LQWUSEYIKLDPJG-KFWWJZLASA-N 2 0 352.479 -0.140 20 0 FBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)CC[N@@H+]1C ZINC000911007957 660058135 /nfs/dbraw/zinc/05/81/35/660058135.db2.gz LQWUSEYIKLDPJG-QLFBSQMISA-N 2 0 352.479 -0.140 20 0 FBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)CC[N@@H+]1C ZINC000911007959 660058155 /nfs/dbraw/zinc/05/81/55/660058155.db2.gz LQWUSEYIKLDPJG-RBSFLKMASA-N 2 0 352.479 -0.140 20 0 FBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000911011613 660058328 /nfs/dbraw/zinc/05/83/28/660058328.db2.gz HJNDMZNIQIXRFY-DMRZNYOFSA-N 2 0 352.479 -0.405 20 0 FBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000911011615 660058382 /nfs/dbraw/zinc/05/83/82/660058382.db2.gz HJNDMZNIQIXRFY-DTZQCDIJSA-N 2 0 352.479 -0.405 20 0 FBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000911011616 660058367 /nfs/dbraw/zinc/05/83/67/660058367.db2.gz HJNDMZNIQIXRFY-MIGQKNRLSA-N 2 0 352.479 -0.405 20 0 FBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000911011617 660058304 /nfs/dbraw/zinc/05/83/04/660058304.db2.gz HJNDMZNIQIXRFY-OJLVUWQFSA-N 2 0 352.479 -0.405 20 0 FBADRP C[NH2+]CCN(C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C(C)C ZINC000911011853 660058349 /nfs/dbraw/zinc/05/83/49/660058349.db2.gz KQKUDKIBEPSXKB-CVEARBPZSA-N 2 0 354.495 -0.063 20 0 FBADRP C[NH2+]CCN(C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)C(C)C ZINC000911011854 660058316 /nfs/dbraw/zinc/05/83/16/660058316.db2.gz KQKUDKIBEPSXKB-HOTGVXAUSA-N 2 0 354.495 -0.063 20 0 FBADRP C[NH2+]CCN(C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C(C)C ZINC000911011855 660058396 /nfs/dbraw/zinc/05/83/96/660058396.db2.gz KQKUDKIBEPSXKB-HZPDHXFCSA-N 2 0 354.495 -0.063 20 0 FBADRP C[NH2+]CCN(C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)C(C)C ZINC000911011856 660058376 /nfs/dbraw/zinc/05/83/76/660058376.db2.gz KQKUDKIBEPSXKB-JKSUJKDBSA-N 2 0 354.495 -0.063 20 0 FBADRP CC1(C)CN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C[C@@H]1[NH3+] ZINC000911011872 660058336 /nfs/dbraw/zinc/05/83/36/660058336.db2.gz KXVILCCQMMXCJE-ILXRZTDVSA-N 2 0 352.479 -0.324 20 0 FBADRP CC1(C)CN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C[C@@H]1[NH3+] ZINC000911011873 660058380 /nfs/dbraw/zinc/05/83/80/660058380.db2.gz KXVILCCQMMXCJE-KFWWJZLASA-N 2 0 352.479 -0.324 20 0 FBADRP CC1(C)CN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C[C@H]1[NH3+] ZINC000911011874 660058393 /nfs/dbraw/zinc/05/83/93/660058393.db2.gz KXVILCCQMMXCJE-QLFBSQMISA-N 2 0 352.479 -0.324 20 0 FBADRP CC1(C)CN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C[C@H]1[NH3+] ZINC000911011875 660058332 /nfs/dbraw/zinc/05/83/32/660058332.db2.gz KXVILCCQMMXCJE-RBSFLKMASA-N 2 0 352.479 -0.324 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C[C@H]1C[NH3+] ZINC000911011998 660058303 /nfs/dbraw/zinc/05/83/03/660058303.db2.gz LSVYEVIHSQTKEA-LUYZLQTOSA-N 2 0 352.479 -0.466 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C[C@H]1C[NH3+] ZINC000911011999 660058361 /nfs/dbraw/zinc/05/83/61/660058361.db2.gz LSVYEVIHSQTKEA-RRCSTGOVSA-N 2 0 352.479 -0.466 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C[C@H]1C[NH3+] ZINC000911012000 660058390 /nfs/dbraw/zinc/05/83/90/660058390.db2.gz LSVYEVIHSQTKEA-VDERGJSUSA-N 2 0 352.479 -0.466 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C[C@H]1C[NH3+] ZINC000911012001 660058324 /nfs/dbraw/zinc/05/83/24/660058324.db2.gz LSVYEVIHSQTKEA-XOUADPBQSA-N 2 0 352.479 -0.466 20 0 FBADRP O=C(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000911012197 660058371 /nfs/dbraw/zinc/05/83/71/660058371.db2.gz OKTATMLAKZQWJZ-CQJMVSDSSA-N 2 0 350.463 -0.511 20 0 FBADRP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000911012198 660058342 /nfs/dbraw/zinc/05/83/42/660058342.db2.gz OKTATMLAKZQWJZ-DGADGQDISA-N 2 0 350.463 -0.511 20 0 FBADRP O=C(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000911012199 660058386 /nfs/dbraw/zinc/05/83/86/660058386.db2.gz OKTATMLAKZQWJZ-GCSSGZNBSA-N 2 0 350.463 -0.511 20 0 FBADRP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000911012200 660058364 /nfs/dbraw/zinc/05/83/64/660058364.db2.gz OKTATMLAKZQWJZ-JKJDWNRSSA-N 2 0 350.463 -0.511 20 0 FBADRP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000911012201 660058312 /nfs/dbraw/zinc/05/83/12/660058312.db2.gz OKTATMLAKZQWJZ-LEOABGAYSA-N 2 0 350.463 -0.511 20 0 FBADRP O=C(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000911012202 660058339 /nfs/dbraw/zinc/05/83/39/660058339.db2.gz OKTATMLAKZQWJZ-OTJKEOIZSA-N 2 0 350.463 -0.511 20 0 FBADRP O=C(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000911012203 660058384 /nfs/dbraw/zinc/05/83/84/660058384.db2.gz OKTATMLAKZQWJZ-UYJHQMFVSA-N 2 0 350.463 -0.511 20 0 FBADRP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000911012204 660058566 /nfs/dbraw/zinc/05/85/66/660058566.db2.gz OKTATMLAKZQWJZ-YIDVYQOGSA-N 2 0 350.463 -0.511 20 0 FBADRP CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000911013043 660058539 /nfs/dbraw/zinc/05/85/39/660058539.db2.gz VWUFMDJJJCPBFN-ILXRZTDVSA-N 2 0 352.479 -0.405 20 0 FBADRP CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000911013044 660058548 /nfs/dbraw/zinc/05/85/48/660058548.db2.gz VWUFMDJJJCPBFN-KFWWJZLASA-N 2 0 352.479 -0.405 20 0 FBADRP CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000911013045 660058576 /nfs/dbraw/zinc/05/85/76/660058576.db2.gz VWUFMDJJJCPBFN-KKUMJFAQSA-N 2 0 352.479 -0.405 20 0 FBADRP CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000911013046 660058560 /nfs/dbraw/zinc/05/85/60/660058560.db2.gz VWUFMDJJJCPBFN-ZNMIVQPWSA-N 2 0 352.479 -0.405 20 0 FBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000911013070 660058582 /nfs/dbraw/zinc/05/85/82/660058582.db2.gz WEBYRMXYNCUGBN-BFJAYTPKSA-N 2 0 352.479 -0.548 20 0 FBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000911013071 660058543 /nfs/dbraw/zinc/05/85/43/660058543.db2.gz WEBYRMXYNCUGBN-CLWVCHIJSA-N 2 0 352.479 -0.548 20 0 FBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000911013072 660058509 /nfs/dbraw/zinc/05/85/09/660058509.db2.gz WEBYRMXYNCUGBN-OCVGTWLNSA-N 2 0 352.479 -0.548 20 0 FBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000911013073 660058565 /nfs/dbraw/zinc/05/85/65/660058565.db2.gz WEBYRMXYNCUGBN-VRKREXBASA-N 2 0 352.479 -0.548 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)C[C@H]1[NH3+] ZINC000911013437 660058584 /nfs/dbraw/zinc/05/85/84/660058584.db2.gz AAZZBKAYBKCUMQ-DMRZNYOFSA-N 2 0 352.479 -0.324 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C[C@H]1[NH3+] ZINC000911013438 660058519 /nfs/dbraw/zinc/05/85/19/660058519.db2.gz AAZZBKAYBKCUMQ-DTZQCDIJSA-N 2 0 352.479 -0.324 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C[C@H]1[NH3+] ZINC000911013439 660058559 /nfs/dbraw/zinc/05/85/59/660058559.db2.gz AAZZBKAYBKCUMQ-MIGQKNRLSA-N 2 0 352.479 -0.324 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C[C@H]1[NH3+] ZINC000911013440 660058585 /nfs/dbraw/zinc/05/85/85/660058585.db2.gz AAZZBKAYBKCUMQ-OJLVUWQFSA-N 2 0 352.479 -0.324 20 0 FBADRP [NH3+][C@H]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C1 ZINC000911016699 660057697 /nfs/dbraw/zinc/05/76/97/660057697.db2.gz YJNRBDVNKDVQEQ-BPUTZDHNSA-N 2 0 352.479 -0.180 20 0 FBADRP [NH3+][C@H]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)C1 ZINC000911016700 660057699 /nfs/dbraw/zinc/05/76/99/660057699.db2.gz YJNRBDVNKDVQEQ-CWRNSKLLSA-N 2 0 352.479 -0.180 20 0 FBADRP [NH3+][C@H]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C1 ZINC000911016702 660057590 /nfs/dbraw/zinc/05/75/90/660057590.db2.gz YJNRBDVNKDVQEQ-IMJJTQAJSA-N 2 0 352.479 -0.180 20 0 FBADRP [NH3+][C@H]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C1 ZINC000911016703 660057718 /nfs/dbraw/zinc/05/77/18/660057718.db2.gz YJNRBDVNKDVQEQ-NUEKZKHPSA-N 2 0 352.479 -0.180 20 0 FBADRP CC1CC[NH+](CCCNC(=O)C(=O)NCCN2CCC([NH3+])CC2)CC1 ZINC000911022218 660057586 /nfs/dbraw/zinc/05/75/86/660057586.db2.gz JFGJWUOWZDEPHE-UHFFFAOYSA-N 2 0 353.511 -0.236 20 0 FBADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911027132 660057858 /nfs/dbraw/zinc/05/78/58/660057858.db2.gz COWNCEXEAHKHHY-CABCVRRESA-N 2 0 353.511 -0.238 20 0 FBADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911027134 660057941 /nfs/dbraw/zinc/05/79/41/660057941.db2.gz COWNCEXEAHKHHY-GJZGRUSLSA-N 2 0 353.511 -0.238 20 0 FBADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911027504 660057933 /nfs/dbraw/zinc/05/79/33/660057933.db2.gz COWNCEXEAHKHHY-HUUCEWRRSA-N 2 0 353.511 -0.238 20 0 FBADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911027505 660057825 /nfs/dbraw/zinc/05/78/25/660057825.db2.gz COWNCEXEAHKHHY-LSDHHAIUSA-N 2 0 353.511 -0.238 20 0 FBADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)C1 ZINC000911028816 660058742 /nfs/dbraw/zinc/05/87/42/660058742.db2.gz KAUVTQTYEVSUKB-KBXCAEBGSA-N 2 0 354.495 -0.075 20 0 FBADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)C1 ZINC000911028817 660058788 /nfs/dbraw/zinc/05/87/88/660058788.db2.gz KAUVTQTYEVSUKB-KDOFPFPSSA-N 2 0 354.495 -0.075 20 0 FBADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)C1 ZINC000911028818 660058766 /nfs/dbraw/zinc/05/87/66/660058766.db2.gz KAUVTQTYEVSUKB-KSSFIOAISA-N 2 0 354.495 -0.075 20 0 FBADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)C1 ZINC000911028819 660058832 /nfs/dbraw/zinc/05/88/32/660058832.db2.gz KAUVTQTYEVSUKB-RDTXWAMCSA-N 2 0 354.495 -0.075 20 0 FBADRP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000911030152 660058779 /nfs/dbraw/zinc/05/87/79/660058779.db2.gz ROOXZPCJTPGFNN-BZUAXINKSA-N 2 0 353.511 -0.510 20 0 FBADRP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000911030153 660058945 /nfs/dbraw/zinc/05/89/45/660058945.db2.gz ROOXZPCJTPGFNN-OAGGEKHMSA-N 2 0 353.511 -0.510 20 0 FBADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000911030154 660058936 /nfs/dbraw/zinc/05/89/36/660058936.db2.gz ROOXZPCJTPGFNN-OWCLPIDISA-N 2 0 353.511 -0.510 20 0 FBADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000911030155 660059010 /nfs/dbraw/zinc/05/90/10/660059010.db2.gz ROOXZPCJTPGFNN-XHSDSOJGSA-N 2 0 353.511 -0.510 20 0 FBADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000911030286 660058952 /nfs/dbraw/zinc/05/89/52/660058952.db2.gz VPCVYYFJQBNWJH-BASYENTBSA-N 2 0 354.495 -0.219 20 0 FBADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000911030287 660058990 /nfs/dbraw/zinc/05/89/90/660058990.db2.gz VPCVYYFJQBNWJH-FSZRXZPDSA-N 2 0 354.495 -0.219 20 0 FBADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000911030288 660058913 /nfs/dbraw/zinc/05/89/13/660058913.db2.gz VPCVYYFJQBNWJH-JTOWHCCKSA-N 2 0 354.495 -0.219 20 0 FBADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000911030289 660058971 /nfs/dbraw/zinc/05/89/71/660058971.db2.gz VPCVYYFJQBNWJH-KRXQYRFLSA-N 2 0 354.495 -0.219 20 0 FBADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCNCC[NH2+]CC2)C1 ZINC000911030470 660058929 /nfs/dbraw/zinc/05/89/29/660058929.db2.gz XICZYHUAGKSRBB-HNNXBMFYSA-N 2 0 353.511 -0.366 20 0 FBADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCNCC[NH2+]CC2)C1 ZINC000911030471 660059034 /nfs/dbraw/zinc/05/90/34/660059034.db2.gz XICZYHUAGKSRBB-OAHLLOKOSA-N 2 0 353.511 -0.366 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC(C(C)(C)C[NH3+])CC1 ZINC000911030986 660058926 /nfs/dbraw/zinc/05/89/26/660058926.db2.gz ODEDEYAQCZBEEY-HNNXBMFYSA-N 2 0 353.511 -0.428 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC(C(C)(C)C[NH3+])CC1 ZINC000911030987 660059023 /nfs/dbraw/zinc/05/90/23/660059023.db2.gz ODEDEYAQCZBEEY-OAHLLOKOSA-N 2 0 353.511 -0.428 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000911031752 660059335 /nfs/dbraw/zinc/05/93/35/660059335.db2.gz SSEPSZSFDMFHHM-GRYCIOLGSA-N 2 0 365.400 -0.914 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000911031755 660059344 /nfs/dbraw/zinc/05/93/44/660059344.db2.gz SSEPSZSFDMFHHM-IJLUTSLNSA-N 2 0 365.400 -0.914 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000911031756 660059383 /nfs/dbraw/zinc/05/93/83/660059383.db2.gz SSEPSZSFDMFHHM-UTUOFQBUSA-N 2 0 365.400 -0.914 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000911031758 660059340 /nfs/dbraw/zinc/05/93/40/660059340.db2.gz SSEPSZSFDMFHHM-WOPDTQHZSA-N 2 0 365.400 -0.914 20 0 FBADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CC[C@@H](CC[NH3+])C3)C2)CC1 ZINC000911032967 660059296 /nfs/dbraw/zinc/05/92/96/660059296.db2.gz GZSCBWNUYNIASX-CABCVRRESA-N 2 0 351.495 -0.532 20 0 FBADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CC[C@H](CC[NH3+])C3)C2)CC1 ZINC000911032968 660059351 /nfs/dbraw/zinc/05/93/51/660059351.db2.gz GZSCBWNUYNIASX-GJZGRUSLSA-N 2 0 351.495 -0.532 20 0 FBADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CC[C@@H](CC[NH3+])C3)C2)CC1 ZINC000911032969 660059244 /nfs/dbraw/zinc/05/92/44/660059244.db2.gz GZSCBWNUYNIASX-HUUCEWRRSA-N 2 0 351.495 -0.532 20 0 FBADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CC[C@H](CC[NH3+])C3)C2)CC1 ZINC000911032970 660059219 /nfs/dbraw/zinc/05/92/19/660059219.db2.gz GZSCBWNUYNIASX-LSDHHAIUSA-N 2 0 351.495 -0.532 20 0 FBADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)[C@@H](C)C1 ZINC000911033386 660059475 /nfs/dbraw/zinc/05/94/75/660059475.db2.gz IUTBCFARPGIZOS-FXUDXRNXSA-N 2 0 354.495 -0.036 20 0 FBADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)[C@H](C)C1 ZINC000911033397 660059672 /nfs/dbraw/zinc/05/96/72/660059672.db2.gz IUTBCFARPGIZOS-KLHDSHLOSA-N 2 0 354.495 -0.036 20 0 FBADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)[C@H](C)C1 ZINC000911033401 660059578 /nfs/dbraw/zinc/05/95/78/660059578.db2.gz IUTBCFARPGIZOS-LVQVYYBASA-N 2 0 354.495 -0.036 20 0 FBADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)[C@@H](C)C1 ZINC000911033404 660059535 /nfs/dbraw/zinc/05/95/35/660059535.db2.gz IUTBCFARPGIZOS-QKPAOTATSA-N 2 0 354.495 -0.036 20 0 FBADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N[C@@H]3C[NH2+]CC3(C)C)C2)CC1 ZINC000911033948 660059648 /nfs/dbraw/zinc/05/96/48/660059648.db2.gz LFTQWEWXBYZZOF-DZGCQCFKSA-N 2 0 351.495 -0.615 20 0 FBADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N[C@H]3C[NH2+]CC3(C)C)C2)CC1 ZINC000911033958 660059677 /nfs/dbraw/zinc/05/96/77/660059677.db2.gz LFTQWEWXBYZZOF-HIFRSBDPSA-N 2 0 351.495 -0.615 20 0 FBADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N[C@@H]3C[NH2+]CC3(C)C)C2)CC1 ZINC000911033961 660059522 /nfs/dbraw/zinc/05/95/22/660059522.db2.gz LFTQWEWXBYZZOF-UKRRQHHQSA-N 2 0 351.495 -0.615 20 0 FBADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N[C@H]3C[NH2+]CC3(C)C)C2)CC1 ZINC000911033963 660059583 /nfs/dbraw/zinc/05/95/83/660059583.db2.gz LFTQWEWXBYZZOF-ZFWWWQNUSA-N 2 0 351.495 -0.615 20 0 FBADRP C[NH2+]CCN(C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)C(C)C ZINC000911034033 660059493 /nfs/dbraw/zinc/05/94/93/660059493.db2.gz MAGWRDPLTOILFP-HNNXBMFYSA-N 2 0 353.511 -0.273 20 0 FBADRP C[NH2+]CCN(C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)C(C)C ZINC000911034121 660059594 /nfs/dbraw/zinc/05/95/94/660059594.db2.gz MAGWRDPLTOILFP-OAHLLOKOSA-N 2 0 353.511 -0.273 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C[C@H]1C[NH3+] ZINC000911034309 660059566 /nfs/dbraw/zinc/05/95/66/660059566.db2.gz NAKSYFRMJYUBQY-KFWWJZLASA-N 2 0 351.495 -0.676 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C[C@H]1C[NH3+] ZINC000911034325 660059606 /nfs/dbraw/zinc/05/96/06/660059606.db2.gz NAKSYFRMJYUBQY-RBSFLKMASA-N 2 0 351.495 -0.676 20 0 FBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000911034855 660059629 /nfs/dbraw/zinc/05/96/29/660059629.db2.gz QBNVTWAAHMTDRZ-ILXRZTDVSA-N 2 0 351.495 -0.757 20 0 FBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000911034856 660059693 /nfs/dbraw/zinc/05/96/93/660059693.db2.gz QBNVTWAAHMTDRZ-QLFBSQMISA-N 2 0 351.495 -0.757 20 0 FBADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3C[C@@H]([NH3+])C(C)(C)C3)C2)CC1 ZINC000911035238 660059859 /nfs/dbraw/zinc/05/98/59/660059859.db2.gz RZFUYSGHKZZMOY-DZGCQCFKSA-N 2 0 351.495 -0.533 20 0 FBADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3C[C@H]([NH3+])C(C)(C)C3)C2)CC1 ZINC000911035240 660059889 /nfs/dbraw/zinc/05/98/89/660059889.db2.gz RZFUYSGHKZZMOY-HIFRSBDPSA-N 2 0 351.495 -0.533 20 0 FBADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3C[C@@H]([NH3+])C(C)(C)C3)C2)CC1 ZINC000911035242 660059849 /nfs/dbraw/zinc/05/98/49/660059849.db2.gz RZFUYSGHKZZMOY-UKRRQHHQSA-N 2 0 351.495 -0.533 20 0 FBADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3C[C@H]([NH3+])C(C)(C)C3)C2)CC1 ZINC000911035244 660059917 /nfs/dbraw/zinc/05/99/17/660059917.db2.gz RZFUYSGHKZZMOY-ZFWWWQNUSA-N 2 0 351.495 -0.533 20 0 FBADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NC[C@@H]3CC[C@H]([NH3+])C3)C2)CC1 ZINC000911036636 660059904 /nfs/dbraw/zinc/05/99/04/660059904.db2.gz WTKXVABXDSMXBE-ILXRZTDVSA-N 2 0 351.495 -0.485 20 0 FBADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)NC[C@@H]3CC[C@H]([NH3+])C3)C2)CC1 ZINC000911036637 660059873 /nfs/dbraw/zinc/05/98/73/660059873.db2.gz WTKXVABXDSMXBE-QLFBSQMISA-N 2 0 351.495 -0.485 20 0 FBADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000911040442 660060122 /nfs/dbraw/zinc/06/01/22/660060122.db2.gz PUHCJRYXHDXDQH-CABCVRRESA-N 2 0 354.495 -0.036 20 0 FBADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911055376 660058820 /nfs/dbraw/zinc/05/88/20/660058820.db2.gz OBMCVAFGFBBCTQ-INIZCTEOSA-N 2 0 353.511 -0.094 20 0 FBADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911055377 660058762 /nfs/dbraw/zinc/05/87/62/660058762.db2.gz OBMCVAFGFBBCTQ-MRXNPFEDSA-N 2 0 353.511 -0.094 20 0 FBADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)NCCN2CCC([NH3+])CC2)CC1 ZINC000911066619 660060718 /nfs/dbraw/zinc/06/07/18/660060718.db2.gz KSIJFLPLASWWKG-UHFFFAOYSA-N 2 0 353.511 -0.238 20 0 FBADRP CC(C)[C@@H](CNC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C)N1CC[NH+](C)CC1 ZINC000911067616 660060534 /nfs/dbraw/zinc/06/05/34/660060534.db2.gz HNGFGEGHKDSZGU-CABCVRRESA-N 2 0 353.511 -0.511 20 0 FBADRP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C)N1CC[NH+](C)CC1 ZINC000911067617 660060661 /nfs/dbraw/zinc/06/06/61/660060661.db2.gz HNGFGEGHKDSZGU-GJZGRUSLSA-N 2 0 353.511 -0.511 20 0 FBADRP CC(C)[C@@H](CNC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C)N1CC[NH+](C)CC1 ZINC000911067618 660060609 /nfs/dbraw/zinc/06/06/09/660060609.db2.gz HNGFGEGHKDSZGU-HUUCEWRRSA-N 2 0 353.511 -0.511 20 0 FBADRP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C)N1CC[NH+](C)CC1 ZINC000911067619 660060705 /nfs/dbraw/zinc/06/07/05/660060705.db2.gz HNGFGEGHKDSZGU-LSDHHAIUSA-N 2 0 353.511 -0.511 20 0 FBADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCNCC[NH2+]CC1)CC(C)C ZINC000911067639 660060599 /nfs/dbraw/zinc/06/05/99/660060599.db2.gz HZLIVOIBYAXNNI-INIZCTEOSA-N 2 0 355.527 -0.120 20 0 FBADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CCNCC[NH2+]CC1)CC(C)C ZINC000911067640 660060592 /nfs/dbraw/zinc/06/05/92/660060592.db2.gz HZLIVOIBYAXNNI-MRXNPFEDSA-N 2 0 355.527 -0.120 20 0 FBADRP CC(C)[C@H](CNC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1)N1CC[NH+](C)CC1 ZINC000911068885 660060636 /nfs/dbraw/zinc/06/06/36/660060636.db2.gz NONOHOWOEACSMF-CVEARBPZSA-N 2 0 353.511 -0.428 20 0 FBADRP CC(C)[C@H](CNC(=O)C(=O)N1CC[C@H](CC[NH3+])C1)N1CC[NH+](C)CC1 ZINC000911068886 660060563 /nfs/dbraw/zinc/06/05/63/660060563.db2.gz NONOHOWOEACSMF-HOTGVXAUSA-N 2 0 353.511 -0.428 20 0 FBADRP CC(C)[C@@H](CNC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1)N1CC[NH+](C)CC1 ZINC000911068887 660060650 /nfs/dbraw/zinc/06/06/50/660060650.db2.gz NONOHOWOEACSMF-HZPDHXFCSA-N 2 0 353.511 -0.428 20 0 FBADRP CC(C)[C@@H](CNC(=O)C(=O)N1CC[C@H](CC[NH3+])C1)N1CC[NH+](C)CC1 ZINC000911068888 660060603 /nfs/dbraw/zinc/06/06/03/660060603.db2.gz NONOHOWOEACSMF-JKSUJKDBSA-N 2 0 353.511 -0.428 20 0 FBADRP CC(C)[C@@H](CNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1)N1CC[NH+](C)CC1 ZINC000911069312 660060583 /nfs/dbraw/zinc/06/05/83/660060583.db2.gz RINRVBZNHARONH-BZUAXINKSA-N 2 0 353.511 -0.572 20 0 FBADRP CC(C)[C@H](CNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1)N1CC[NH+](C)CC1 ZINC000911069313 660060655 /nfs/dbraw/zinc/06/06/55/660060655.db2.gz RINRVBZNHARONH-OAGGEKHMSA-N 2 0 353.511 -0.572 20 0 FBADRP CC(C)[C@@H](CNC(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1)N1CC[NH+](C)CC1 ZINC000911069446 660060628 /nfs/dbraw/zinc/06/06/28/660060628.db2.gz UFVNPLPKKSKWIR-CABCVRRESA-N 2 0 353.511 -0.430 20 0 FBADRP CC(C)[C@H](CNC(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1)N1CC[NH+](C)CC1 ZINC000911069447 660060695 /nfs/dbraw/zinc/06/06/95/660060695.db2.gz UFVNPLPKKSKWIR-GJZGRUSLSA-N 2 0 353.511 -0.430 20 0 FBADRP CC(C)[C@@H](CNC(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1)N1CC[NH+](C)CC1 ZINC000911069448 660060504 /nfs/dbraw/zinc/06/05/04/660060504.db2.gz UFVNPLPKKSKWIR-HUUCEWRRSA-N 2 0 353.511 -0.430 20 0 FBADRP CC(C)[C@H](CNC(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1)N1CC[NH+](C)CC1 ZINC000911069449 660060687 /nfs/dbraw/zinc/06/06/87/660060687.db2.gz UFVNPLPKKSKWIR-LSDHHAIUSA-N 2 0 353.511 -0.430 20 0 FBADRP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)N1CC[NH+](C)CC1 ZINC000911069477 660060553 /nfs/dbraw/zinc/06/05/53/660060553.db2.gz UPFSIPMOXMCGRS-JJXSEGSLSA-N 2 0 351.495 -0.616 20 0 FBADRP CC(C)[C@@H](CNC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)N1CC[NH+](C)CC1 ZINC000911069478 660060710 /nfs/dbraw/zinc/06/07/10/660060710.db2.gz UPFSIPMOXMCGRS-QKPAOTATSA-N 2 0 351.495 -0.616 20 0 FBADRP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)N1CC[NH+](C)CC1 ZINC000911069479 660060623 /nfs/dbraw/zinc/06/06/23/660060623.db2.gz UPFSIPMOXMCGRS-QXSJWSMHSA-N 2 0 351.495 -0.616 20 0 FBADRP CC(C)[C@@H](CNC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)N1CC[NH+](C)CC1 ZINC000911069480 660060570 /nfs/dbraw/zinc/06/05/70/660060570.db2.gz UPFSIPMOXMCGRS-ZJIFWQFVSA-N 2 0 351.495 -0.616 20 0 FBADRP C[NH2+]CCN(C(=O)C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1)C(C)C ZINC000911070030 660060824 /nfs/dbraw/zinc/06/08/24/660060824.db2.gz ZAQQIHHYJBXAAU-INIZCTEOSA-N 2 0 355.527 -0.169 20 0 FBADRP C[NH2+]CCN(C(=O)C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1)C(C)C ZINC000911070031 660060913 /nfs/dbraw/zinc/06/09/13/660060913.db2.gz ZAQQIHHYJBXAAU-MRXNPFEDSA-N 2 0 355.527 -0.169 20 0 FBADRP CC(C)[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C)N1CC[NH+](C)CC1 ZINC000911070039 660060905 /nfs/dbraw/zinc/06/09/05/660060905.db2.gz ZIYMNEIRWBWXSX-OWCLPIDISA-N 2 0 353.511 -0.654 20 0 FBADRP CC(C)[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C)N1CC[NH+](C)CC1 ZINC000911070040 660060768 /nfs/dbraw/zinc/06/07/68/660060768.db2.gz ZIYMNEIRWBWXSX-PMPSAXMXSA-N 2 0 353.511 -0.654 20 0 FBADRP CC(C)[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1)N1CC[NH+](C)CC1 ZINC000911070099 660060954 /nfs/dbraw/zinc/06/09/54/660060954.db2.gz ZZMLSZHFDSVBJZ-OWCLPIDISA-N 2 0 353.511 -0.382 20 0 FBADRP CC(C)[C@H](CNC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1)N1CC[NH+](C)CC1 ZINC000911070101 660060834 /nfs/dbraw/zinc/06/08/34/660060834.db2.gz ZZMLSZHFDSVBJZ-PMPSAXMXSA-N 2 0 353.511 -0.382 20 0 FBADRP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CC[NH2+]CCC12CCOCC2 ZINC000911071698 660060983 /nfs/dbraw/zinc/06/09/83/660060983.db2.gz DCORDIWFZOVQAB-AWEZNQCLSA-N 2 0 350.463 -0.290 20 0 FBADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CC[NH2+]CCC12CCOCC2 ZINC000911071699 660060851 /nfs/dbraw/zinc/06/08/51/660060851.db2.gz DCORDIWFZOVQAB-CQSZACIVSA-N 2 0 350.463 -0.290 20 0 FBADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCNCC[NH2+]CC2)C1 ZINC000911080131 660060357 /nfs/dbraw/zinc/06/03/57/660060357.db2.gz MGZUEYVDSURHAG-INIZCTEOSA-N 2 0 353.511 -0.508 20 0 FBADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCNCC[NH2+]CC2)C1 ZINC000911080141 660060398 /nfs/dbraw/zinc/06/03/98/660060398.db2.gz MGZUEYVDSURHAG-MRXNPFEDSA-N 2 0 353.511 -0.508 20 0 FBADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)C1 ZINC000911081170 660060413 /nfs/dbraw/zinc/06/04/13/660060413.db2.gz UROZURMUPDSREB-CRAIPNDOSA-N 2 0 354.495 -0.217 20 0 FBADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)C1 ZINC000911081171 660060333 /nfs/dbraw/zinc/06/03/33/660060333.db2.gz UROZURMUPDSREB-MAUKXSAKSA-N 2 0 354.495 -0.217 20 0 FBADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)C1 ZINC000911081172 660060269 /nfs/dbraw/zinc/06/02/69/660060269.db2.gz UROZURMUPDSREB-QAPCUYQASA-N 2 0 354.495 -0.217 20 0 FBADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)C1 ZINC000911081173 660060383 /nfs/dbraw/zinc/06/03/83/660060383.db2.gz UROZURMUPDSREB-YJBOKZPZSA-N 2 0 354.495 -0.217 20 0 FBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000911081780 660060314 /nfs/dbraw/zinc/06/03/14/660060314.db2.gz XFTNQQXCUBGZKO-CVEARBPZSA-N 2 0 354.495 -0.083 20 0 FBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000911081782 660060389 /nfs/dbraw/zinc/06/03/89/660060389.db2.gz XFTNQQXCUBGZKO-HOTGVXAUSA-N 2 0 354.495 -0.083 20 0 FBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000911081783 660060259 /nfs/dbraw/zinc/06/02/59/660060259.db2.gz XFTNQQXCUBGZKO-HZPDHXFCSA-N 2 0 354.495 -0.083 20 0 FBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000911081785 660060366 /nfs/dbraw/zinc/06/03/66/660060366.db2.gz XFTNQQXCUBGZKO-JKSUJKDBSA-N 2 0 354.495 -0.083 20 0 FBADRP CC[C@H](COC)NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000911088250 660061928 /nfs/dbraw/zinc/06/19/28/660061928.db2.gz MEKIJCPKONEPQU-BMFZPTHFSA-N 2 0 352.479 -0.045 20 0 FBADRP CC[C@@H](COC)NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000911088251 660061888 /nfs/dbraw/zinc/06/18/88/660061888.db2.gz MEKIJCPKONEPQU-CWRNSKLLSA-N 2 0 352.479 -0.045 20 0 FBADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000911090861 660061199 /nfs/dbraw/zinc/06/11/99/660061199.db2.gz HTEJOTQNLURZLS-INIZCTEOSA-N 2 0 353.511 -0.221 20 0 FBADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000911090862 660061231 /nfs/dbraw/zinc/06/12/31/660061231.db2.gz HTEJOTQNLURZLS-MRXNPFEDSA-N 2 0 353.511 -0.221 20 0 FBADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NCCN2CCC([NH3+])CC2)C1 ZINC000911091319 660061189 /nfs/dbraw/zinc/06/11/89/660061189.db2.gz LBMMRBOATFAARU-HNNXBMFYSA-N 2 0 353.511 -0.238 20 0 FBADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)NCCN2CCC([NH3+])CC2)C1 ZINC000911091320 660061237 /nfs/dbraw/zinc/06/12/37/660061237.db2.gz LBMMRBOATFAARU-OAHLLOKOSA-N 2 0 353.511 -0.238 20 0 FBADRP C[C@@H](CNC(=O)C(=O)NCCN1CCC([NH3+])CC1)[NH+]1CCC(C)CC1 ZINC000911093103 660061179 /nfs/dbraw/zinc/06/11/79/660061179.db2.gz WHFPUGQSGYHPPM-HNNXBMFYSA-N 2 0 353.511 -0.238 20 0 FBADRP C[C@H](CNC(=O)C(=O)NCCN1CCC([NH3+])CC1)[NH+]1CCC(C)CC1 ZINC000911093104 660061173 /nfs/dbraw/zinc/06/11/73/660061173.db2.gz WHFPUGQSGYHPPM-OAHLLOKOSA-N 2 0 353.511 -0.238 20 0 FBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N2CCC[C@]23CC[NH2+]C3)CC1(C)C ZINC000911095573 660061253 /nfs/dbraw/zinc/06/12/53/660061253.db2.gz CXBCJKWIHUMZBL-GOSISDBHSA-N 2 0 351.495 -0.517 20 0 FBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N2CCC[C@@]23CC[NH2+]C3)CC1(C)C ZINC000911095574 660061241 /nfs/dbraw/zinc/06/12/41/660061241.db2.gz CXBCJKWIHUMZBL-SFHVURJKSA-N 2 0 351.495 -0.517 20 0 FBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N2CC[C@@H]3CC[C@@]32C[NH3+])CC1(C)C ZINC000911095916 660061245 /nfs/dbraw/zinc/06/12/45/660061245.db2.gz GXZNABVVIDWXOV-KBXCAEBGSA-N 2 0 351.495 -0.532 20 0 FBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N2CC[C@H]3CC[C@]32C[NH3+])CC1(C)C ZINC000911095917 660061183 /nfs/dbraw/zinc/06/11/83/660061183.db2.gz GXZNABVVIDWXOV-KDOFPFPSSA-N 2 0 351.495 -0.532 20 0 FBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N2CC[C@@H]3CC[C@]32C[NH3+])CC1(C)C ZINC000911095918 660061213 /nfs/dbraw/zinc/06/12/13/660061213.db2.gz GXZNABVVIDWXOV-KSSFIOAISA-N 2 0 351.495 -0.532 20 0 FBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N2CC[C@H]3CC[C@@]32C[NH3+])CC1(C)C ZINC000911095920 660061343 /nfs/dbraw/zinc/06/13/43/660061343.db2.gz GXZNABVVIDWXOV-RDTXWAMCSA-N 2 0 351.495 -0.532 20 0 FBADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000911096067 660061456 /nfs/dbraw/zinc/06/14/56/660061456.db2.gz IELPICVFNMVTFX-HUUCEWRRSA-N 2 0 353.511 -0.510 20 0 FBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)CC1(C)C ZINC000911096866 660061363 /nfs/dbraw/zinc/06/13/63/660061363.db2.gz LXAZVEDEZZMSBE-HNNXBMFYSA-N 2 0 353.511 -0.223 20 0 FBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)CC1(C)C ZINC000911096868 660061330 /nfs/dbraw/zinc/06/13/30/660061330.db2.gz LXAZVEDEZZMSBE-OAHLLOKOSA-N 2 0 353.511 -0.223 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C[C@H]1CC[NH3+] ZINC000911097473 660061386 /nfs/dbraw/zinc/06/13/86/660061386.db2.gz QWXXKQMMEWAQNK-HUUCEWRRSA-N 2 0 353.511 -0.428 20 0 FBADRP O=C(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000911098128 660061342 /nfs/dbraw/zinc/06/13/42/660061342.db2.gz ARBJZSXJVQPCNL-CAOSSQGBSA-N 2 0 350.463 -0.245 20 0 FBADRP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000911098129 660061423 /nfs/dbraw/zinc/06/14/23/660061423.db2.gz ARBJZSXJVQPCNL-FXUDXRNXSA-N 2 0 350.463 -0.245 20 0 FBADRP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000911098130 660061406 /nfs/dbraw/zinc/06/14/06/660061406.db2.gz ARBJZSXJVQPCNL-LVQVYYBASA-N 2 0 350.463 -0.245 20 0 FBADRP O=C(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000911098131 660061348 /nfs/dbraw/zinc/06/13/48/660061348.db2.gz ARBJZSXJVQPCNL-ZJIFWQFVSA-N 2 0 350.463 -0.245 20 0 FBADRP C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000911098132 660061393 /nfs/dbraw/zinc/06/13/93/660061393.db2.gz ASDKUOIOEJSSKM-INIZCTEOSA-N 2 0 353.511 -0.271 20 0 FBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1(C)C ZINC000911098175 660061399 /nfs/dbraw/zinc/06/13/99/660061399.db2.gz YVUWOVCAMJUQHO-LSDHHAIUSA-N 2 0 351.495 -0.804 20 0 FBADRP C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000911098185 660061444 /nfs/dbraw/zinc/06/14/44/660061444.db2.gz ZBDKJMNBLUNLGS-HNNXBMFYSA-N 2 0 353.511 -0.271 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC[C@H]1C[NH3+] ZINC000911098192 660061465 /nfs/dbraw/zinc/06/14/65/660061465.db2.gz ZCUXWLXOXXYIPA-CABCVRRESA-N 2 0 353.511 -0.428 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC[C@H]1C[NH3+] ZINC000911098194 660061350 /nfs/dbraw/zinc/06/13/50/660061350.db2.gz ZCUXWLXOXXYIPA-GJZGRUSLSA-N 2 0 353.511 -0.428 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC[C@@H]1C[NH3+] ZINC000911098195 660061509 /nfs/dbraw/zinc/06/15/09/660061509.db2.gz ZCUXWLXOXXYIPA-HUUCEWRRSA-N 2 0 353.511 -0.428 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC[C@@H]1C[NH3+] ZINC000911098197 660061318 /nfs/dbraw/zinc/06/13/18/660061318.db2.gz ZCUXWLXOXXYIPA-LSDHHAIUSA-N 2 0 353.511 -0.428 20 0 FBADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000911099337 660061484 /nfs/dbraw/zinc/06/14/84/660061484.db2.gz LOUBKGFEZLGWLE-HUUCEWRRSA-N 2 0 353.511 -0.510 20 0 FBADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)CC1 ZINC000911099697 660061438 /nfs/dbraw/zinc/06/14/38/660061438.db2.gz AAHBUTYFNQKFRM-INIZCTEOSA-N 2 0 353.511 -0.223 20 0 FBADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)CC1 ZINC000911099698 660061360 /nfs/dbraw/zinc/06/13/60/660061360.db2.gz AAHBUTYFNQKFRM-MRXNPFEDSA-N 2 0 353.511 -0.223 20 0 FBADRP CC1(C)CN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C[C@@H]1[NH3+] ZINC000911100719 660061369 /nfs/dbraw/zinc/06/13/69/660061369.db2.gz SSFZHCIDCCCRNT-CABCVRRESA-N 2 0 352.479 -0.058 20 0 FBADRP CC1(C)CN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)C[C@@H]1[NH3+] ZINC000911100720 660061496 /nfs/dbraw/zinc/06/14/96/660061496.db2.gz SSFZHCIDCCCRNT-GJZGRUSLSA-N 2 0 352.479 -0.058 20 0 FBADRP CC1(C)CN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C[C@H]1[NH3+] ZINC000911100721 660061375 /nfs/dbraw/zinc/06/13/75/660061375.db2.gz SSFZHCIDCCCRNT-HUUCEWRRSA-N 2 0 352.479 -0.058 20 0 FBADRP CC1(C)CN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)C[C@H]1[NH3+] ZINC000911100722 660061681 /nfs/dbraw/zinc/06/16/81/660061681.db2.gz SSFZHCIDCCCRNT-LSDHHAIUSA-N 2 0 352.479 -0.058 20 0 FBADRP CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000911100727 660061572 /nfs/dbraw/zinc/06/15/72/660061572.db2.gz STSNJIDYVCLXHZ-CABCVRRESA-N 2 0 352.479 -0.140 20 0 FBADRP CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000911100728 660061682 /nfs/dbraw/zinc/06/16/82/660061682.db2.gz STSNJIDYVCLXHZ-GJZGRUSLSA-N 2 0 352.479 -0.140 20 0 FBADRP CC1(C)C[NH2+]C[C@H]1NC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000911100729 660061632 /nfs/dbraw/zinc/06/16/32/660061632.db2.gz STSNJIDYVCLXHZ-HUUCEWRRSA-N 2 0 352.479 -0.140 20 0 FBADRP CC1(C)C[NH2+]C[C@H]1NC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000911100730 660061627 /nfs/dbraw/zinc/06/16/27/660061627.db2.gz STSNJIDYVCLXHZ-LSDHHAIUSA-N 2 0 352.479 -0.140 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)C[C@H]1CC[NH3+] ZINC000911100731 660061699 /nfs/dbraw/zinc/06/16/99/660061699.db2.gz SXZNDVIEELSSLD-HUUCEWRRSA-N 2 0 353.511 -0.428 20 0 FBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000911101405 660061569 /nfs/dbraw/zinc/06/15/69/660061569.db2.gz USAMBBSRYLOLRD-IJEWVQPXSA-N 2 0 352.479 -0.282 20 0 FBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000911101408 660061596 /nfs/dbraw/zinc/06/15/96/660061596.db2.gz USAMBBSRYLOLRD-YCPHGPKFSA-N 2 0 352.479 -0.282 20 0 FBADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CCC[C@]23CC[NH2+]C3)CC1 ZINC000911101734 660061576 /nfs/dbraw/zinc/06/15/76/660061576.db2.gz NFBSOGLJNWOKSC-GOSISDBHSA-N 2 0 351.495 -0.517 20 0 FBADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CCC[C@@]23CC[NH2+]C3)CC1 ZINC000911101736 660061715 /nfs/dbraw/zinc/06/17/15/660061715.db2.gz NFBSOGLJNWOKSC-SFHVURJKSA-N 2 0 351.495 -0.517 20 0 FBADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000911101738 660061634 /nfs/dbraw/zinc/06/16/34/660061634.db2.gz NGGONOHFQLRYQL-LSDHHAIUSA-N 2 0 351.495 -0.804 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)CC[C@H]1C[NH3+] ZINC000911102233 660061691 /nfs/dbraw/zinc/06/16/91/660061691.db2.gz OSVBHBHLLZVOES-CABCVRRESA-N 2 0 353.511 -0.428 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)CC[C@H]1C[NH3+] ZINC000911102235 660061612 /nfs/dbraw/zinc/06/16/12/660061612.db2.gz OSVBHBHLLZVOES-GJZGRUSLSA-N 2 0 353.511 -0.428 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)CC[C@@H]1C[NH3+] ZINC000911102237 660061654 /nfs/dbraw/zinc/06/16/54/660061654.db2.gz OSVBHBHLLZVOES-HUUCEWRRSA-N 2 0 353.511 -0.428 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)CC[C@@H]1C[NH3+] ZINC000911102239 660061686 /nfs/dbraw/zinc/06/16/86/660061686.db2.gz OSVBHBHLLZVOES-LSDHHAIUSA-N 2 0 353.511 -0.428 20 0 FBADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CC[C@@H]3CC[C@@]32C[NH3+])CC1 ZINC000911103501 660061629 /nfs/dbraw/zinc/06/16/29/660061629.db2.gz YJCDLFGXUKVOFF-KBXCAEBGSA-N 2 0 351.495 -0.532 20 0 FBADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CC[C@H]3CC[C@]32C[NH3+])CC1 ZINC000911103502 660061598 /nfs/dbraw/zinc/06/15/98/660061598.db2.gz YJCDLFGXUKVOFF-KDOFPFPSSA-N 2 0 351.495 -0.532 20 0 FBADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CC[C@@H]3CC[C@]32C[NH3+])CC1 ZINC000911103503 660061644 /nfs/dbraw/zinc/06/16/44/660061644.db2.gz YJCDLFGXUKVOFF-KSSFIOAISA-N 2 0 351.495 -0.532 20 0 FBADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CC[C@H]3CC[C@@]32C[NH3+])CC1 ZINC000911103504 660061662 /nfs/dbraw/zinc/06/16/62/660061662.db2.gz YJCDLFGXUKVOFF-RDTXWAMCSA-N 2 0 351.495 -0.532 20 0 FBADRP C[NH+](C)C1(CNC(=O)C(=O)NCCCCCN2CC[NH2+]CC2)CCC1 ZINC000911113059 660062677 /nfs/dbraw/zinc/06/26/77/660062677.db2.gz GSULZAAWVRMECM-UHFFFAOYSA-N 2 0 353.511 -0.221 20 0 FBADRP CCCC[NH+]1CCC(NC(=O)C(=O)NCCN2CCC([NH3+])CC2)CC1 ZINC000911114108 660062593 /nfs/dbraw/zinc/06/25/93/660062593.db2.gz LWXWTXMIJBLWKW-UHFFFAOYSA-N 2 0 353.511 -0.094 20 0 FBADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)CCC1 ZINC000911114855 660062552 /nfs/dbraw/zinc/06/25/52/660062552.db2.gz NUZGYZCVIDBPME-AWEZNQCLSA-N 2 0 352.479 -0.138 20 0 FBADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)CCC1 ZINC000911114858 660062545 /nfs/dbraw/zinc/06/25/45/660062545.db2.gz NUZGYZCVIDBPME-CQSZACIVSA-N 2 0 352.479 -0.138 20 0 FBADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCC3(CO[C@H](C[NH3+])C3)CC2)CCC1 ZINC000911115636 660062623 /nfs/dbraw/zinc/06/26/23/660062623.db2.gz PSGSZWXPNGFBPT-AWEZNQCLSA-N 2 0 352.479 -0.057 20 0 FBADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)CCC1 ZINC000911115639 660062570 /nfs/dbraw/zinc/06/25/70/660062570.db2.gz PSGSZWXPNGFBPT-CQSZACIVSA-N 2 0 352.479 -0.057 20 0 FBADRP C[NH+](C)C1(CNC(=O)C(=O)N2CC[NH2+]CCC23CCOCC3)CCC1 ZINC000911116663 660062643 /nfs/dbraw/zinc/06/26/43/660062643.db2.gz UCCXXWLOJUSSSS-UHFFFAOYSA-N 2 0 352.479 -0.042 20 0 FBADRP CC(C)OCCNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000911122821 660061796 /nfs/dbraw/zinc/06/17/96/660061796.db2.gz FIDJHTDHQZIJOA-IYBDPMFKSA-N 2 0 352.479 -0.045 20 0 FBADRP CC1(C)CN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C[C@H]1[NH3+] ZINC000911127037 660062095 /nfs/dbraw/zinc/06/20/95/660062095.db2.gz WMCHJFHASQBUCY-DZGCQCFKSA-N 2 0 352.479 -0.201 20 0 FBADRP CC1(C)CN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C[C@@H]1[NH3+] ZINC000911127038 660062051 /nfs/dbraw/zinc/06/20/51/660062051.db2.gz WMCHJFHASQBUCY-HIFRSBDPSA-N 2 0 352.479 -0.201 20 0 FBADRP CC1(C)CN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C[C@H]1[NH3+] ZINC000911127039 660062125 /nfs/dbraw/zinc/06/21/25/660062125.db2.gz WMCHJFHASQBUCY-UKRRQHHQSA-N 2 0 352.479 -0.201 20 0 FBADRP CC1(C)CN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C[C@@H]1[NH3+] ZINC000911127187 660062070 /nfs/dbraw/zinc/06/20/70/660062070.db2.gz WMCHJFHASQBUCY-ZFWWWQNUSA-N 2 0 352.479 -0.201 20 0 FBADRP CC1(C)C[NH2+]C[C@H]1NC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000911127362 660062103 /nfs/dbraw/zinc/06/21/03/660062103.db2.gz XPVHPFCCUWMJJD-DZGCQCFKSA-N 2 0 352.479 -0.282 20 0 FBADRP CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000911127363 660061990 /nfs/dbraw/zinc/06/19/90/660061990.db2.gz XPVHPFCCUWMJJD-HIFRSBDPSA-N 2 0 352.479 -0.282 20 0 FBADRP CC1(C)C[NH2+]C[C@H]1NC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000911127365 660062090 /nfs/dbraw/zinc/06/20/90/660062090.db2.gz XPVHPFCCUWMJJD-UKRRQHHQSA-N 2 0 352.479 -0.282 20 0 FBADRP CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000911127367 660062073 /nfs/dbraw/zinc/06/20/73/660062073.db2.gz XPVHPFCCUWMJJD-ZFWWWQNUSA-N 2 0 352.479 -0.282 20 0 FBADRP [NH3+][C@]1(CO)CCCN(C(=O)C(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000911128731 660062014 /nfs/dbraw/zinc/06/20/14/660062014.db2.gz OXFUIBMVQAHSOM-GOSISDBHSA-N 2 0 352.479 -0.178 20 0 FBADRP [NH3+][C@@]1(CO)CCCN(C(=O)C(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000911128732 660062054 /nfs/dbraw/zinc/06/20/54/660062054.db2.gz OXFUIBMVQAHSOM-SFHVURJKSA-N 2 0 352.479 -0.178 20 0 FBADRP O=C(NC1CC[NH+](C2CCCC2)CC1)C(=O)N1CCNCC[NH2+]CC1 ZINC000911129279 660062113 /nfs/dbraw/zinc/06/21/13/660062113.db2.gz YUXUMNJPFBAARQ-UHFFFAOYSA-N 2 0 351.495 -0.469 20 0 FBADRP CN1CCC([NH+]2CCC(NC(=O)C(=O)N3CCC[C@H]([NH3+])C3)CC2)CC1 ZINC000911135824 660062279 /nfs/dbraw/zinc/06/22/79/660062279.db2.gz WVIKYXVXVOQRKH-AWEZNQCLSA-N 2 0 351.495 -0.389 20 0 FBADRP [NH3+]C[C@]12CC[C@@H]1CCCN2C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000911146352 660062957 /nfs/dbraw/zinc/06/29/57/660062957.db2.gz AKDGKHLMLIRZGG-JTOWHCCKSA-N 2 0 350.463 -0.304 20 0 FBADRP [NH3+]C[C@]12CC[C@@H]1CCCN2C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000911146355 660062967 /nfs/dbraw/zinc/06/29/67/660062967.db2.gz AKDGKHLMLIRZGG-LUXYFRNMSA-N 2 0 350.463 -0.304 20 0 FBADRP [NH3+]C[C@]12CC[C@@H]1CCCN2C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000911146358 660062960 /nfs/dbraw/zinc/06/29/60/660062960.db2.gz AKDGKHLMLIRZGG-OIPACUDHSA-N 2 0 350.463 -0.304 20 0 FBADRP [NH3+]C[C@]12CC[C@@H]1CCCN2C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000911146360 660062963 /nfs/dbraw/zinc/06/29/63/660062963.db2.gz AKDGKHLMLIRZGG-YRBFXIGRSA-N 2 0 350.463 -0.304 20 0 FBADRP [NH3+][C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C[C@H]1C(F)(F)F ZINC000911147806 660062865 /nfs/dbraw/zinc/06/28/65/660062865.db2.gz JQYLRVAGIBQXAB-DDHJBXDOSA-N 2 0 364.368 -0.686 20 0 FBADRP [NH3+][C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C[C@H]1C(F)(F)F ZINC000911147807 660062944 /nfs/dbraw/zinc/06/29/44/660062944.db2.gz JQYLRVAGIBQXAB-IRCOFANPSA-N 2 0 364.368 -0.686 20 0 FBADRP [NH3+][C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)C[C@H]1C(F)(F)F ZINC000911147808 660062916 /nfs/dbraw/zinc/06/29/16/660062916.db2.gz JQYLRVAGIBQXAB-NNYUYHANSA-N 2 0 364.368 -0.686 20 0 FBADRP [NH3+][C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C[C@H]1C(F)(F)F ZINC000911147809 660062951 /nfs/dbraw/zinc/06/29/51/660062951.db2.gz JQYLRVAGIBQXAB-WRWGMCAJSA-N 2 0 364.368 -0.686 20 0 FBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000911149232 660062880 /nfs/dbraw/zinc/06/28/80/660062880.db2.gz VEZODLFJNKFQJT-ATNYBXOESA-N 2 0 350.463 -0.386 20 0 FBADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000911149235 660062842 /nfs/dbraw/zinc/06/28/42/660062842.db2.gz VEZODLFJNKFQJT-BASYENTBSA-N 2 0 350.463 -0.386 20 0 FBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000911149237 660062979 /nfs/dbraw/zinc/06/29/79/660062979.db2.gz VEZODLFJNKFQJT-LUXYFRNMSA-N 2 0 350.463 -0.386 20 0 FBADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000911149241 660062890 /nfs/dbraw/zinc/06/28/90/660062890.db2.gz VEZODLFJNKFQJT-OIPACUDHSA-N 2 0 350.463 -0.386 20 0 FBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000911149540 660062898 /nfs/dbraw/zinc/06/28/98/660062898.db2.gz XHOWITCXPVALAU-DAYGRLMNSA-N 2 0 350.463 -0.290 20 0 FBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000911149541 660062982 /nfs/dbraw/zinc/06/29/82/660062982.db2.gz XHOWITCXPVALAU-HDMKZQKVSA-N 2 0 350.463 -0.290 20 0 FBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000911149542 660062938 /nfs/dbraw/zinc/06/29/38/660062938.db2.gz XHOWITCXPVALAU-IIDMSEBBSA-N 2 0 350.463 -0.290 20 0 FBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000911149543 660062872 /nfs/dbraw/zinc/06/28/72/660062872.db2.gz XHOWITCXPVALAU-RKVPGOIHSA-N 2 0 350.463 -0.290 20 0 FBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000911156680 660063234 /nfs/dbraw/zinc/06/32/34/660063234.db2.gz QAGDCOCXBYLHQB-GHMZBOCLSA-N 2 0 354.373 -0.581 20 0 FBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000911156681 660063082 /nfs/dbraw/zinc/06/30/82/660063082.db2.gz QAGDCOCXBYLHQB-MNOVXSKESA-N 2 0 354.373 -0.581 20 0 FBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000911156682 660063159 /nfs/dbraw/zinc/06/31/59/660063159.db2.gz QAGDCOCXBYLHQB-QWRGUYRKSA-N 2 0 354.373 -0.581 20 0 FBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000911156683 660063305 /nfs/dbraw/zinc/06/33/05/660063305.db2.gz QAGDCOCXBYLHQB-WDEREUQCSA-N 2 0 354.373 -0.581 20 0 FBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000911156699 660063202 /nfs/dbraw/zinc/06/32/02/660063202.db2.gz QFQJKRWCIADFBQ-AWEZNQCLSA-N 2 0 356.467 -0.963 20 0 FBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000911156701 660063130 /nfs/dbraw/zinc/06/31/30/660063130.db2.gz QFQJKRWCIADFBQ-CQSZACIVSA-N 2 0 356.467 -0.963 20 0 FBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CC[NH2+]CCC12CCOCC2 ZINC000911158430 660063186 /nfs/dbraw/zinc/06/31/86/660063186.db2.gz ZPPXAKCNBZYKKF-UHFFFAOYSA-N 2 0 356.467 -0.948 20 0 FBADRP C[N@H+](CCCNC(=O)C(=O)N1CCNCC[NH2+]CC1)C1CCCCC1 ZINC000911160361 660063111 /nfs/dbraw/zinc/06/31/11/660063111.db2.gz BYTGXHLGDLRWEP-UHFFFAOYSA-N 2 0 353.511 -0.221 20 0 FBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000911161042 660063478 /nfs/dbraw/zinc/06/34/78/660063478.db2.gz DXHBZAKJQNZKNV-UYTSQGDYSA-N 2 0 352.479 -0.045 20 0 FBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000911161043 660063595 /nfs/dbraw/zinc/06/35/95/660063595.db2.gz DXHBZAKJQNZKNV-WTXIUTQJSA-N 2 0 352.479 -0.045 20 0 FBADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)C1 ZINC000911161230 660063593 /nfs/dbraw/zinc/06/35/93/660063593.db2.gz JCFOMEPPXSPTTP-DAYGRLMNSA-N 2 0 354.495 -0.217 20 0 FBADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)C1 ZINC000911161231 660063468 /nfs/dbraw/zinc/06/34/68/660063468.db2.gz JCFOMEPPXSPTTP-IIDMSEBBSA-N 2 0 354.495 -0.217 20 0 FBADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)C1 ZINC000911161232 660063378 /nfs/dbraw/zinc/06/33/78/660063378.db2.gz JCFOMEPPXSPTTP-RKVPGOIHSA-N 2 0 354.495 -0.217 20 0 FBADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)C1 ZINC000911161233 660063541 /nfs/dbraw/zinc/06/35/41/660063541.db2.gz JCFOMEPPXSPTTP-RVKKMQEKSA-N 2 0 354.495 -0.217 20 0 FBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000911162983 660063444 /nfs/dbraw/zinc/06/34/44/660063444.db2.gz VDECHJXGEYGODO-OWCLPIDISA-N 2 0 354.495 -0.083 20 0 FBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000911162984 660063500 /nfs/dbraw/zinc/06/35/00/660063500.db2.gz VDECHJXGEYGODO-XHSDSOJGSA-N 2 0 354.495 -0.083 20 0 FBADRP CN(C)[C@@H](CNC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1)c1ccsc1 ZINC000911163011 660063556 /nfs/dbraw/zinc/06/35/56/660063556.db2.gz BKRVVUHVDNQLRJ-BBRMVZONSA-N 2 0 354.476 -0.221 20 0 FBADRP CN(C)[C@H](CNC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1)c1ccsc1 ZINC000911163013 660063395 /nfs/dbraw/zinc/06/33/95/660063395.db2.gz BKRVVUHVDNQLRJ-CJNGLKHVSA-N 2 0 354.476 -0.221 20 0 FBADRP CN(C)[C@H](CNC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1)c1ccsc1 ZINC000911163014 660063521 /nfs/dbraw/zinc/06/35/21/660063521.db2.gz BKRVVUHVDNQLRJ-CZUORRHYSA-N 2 0 354.476 -0.221 20 0 FBADRP CN(C)[C@@H](CNC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1)c1ccsc1 ZINC000911163016 660063529 /nfs/dbraw/zinc/06/35/29/660063529.db2.gz BKRVVUHVDNQLRJ-XJKSGUPXSA-N 2 0 354.476 -0.221 20 0 FBADRP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)N2CCNCC[NH2+]CC2)C1 ZINC000911163773 660063726 /nfs/dbraw/zinc/06/37/26/660063726.db2.gz YJUILCSUEXUDQL-HOTGVXAUSA-N 2 0 353.511 -0.508 20 0 FBADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)N2CCNCC[NH2+]CC2)C1 ZINC000911163774 660063749 /nfs/dbraw/zinc/06/37/49/660063749.db2.gz YJUILCSUEXUDQL-HZPDHXFCSA-N 2 0 353.511 -0.508 20 0 FBADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N2CCNCC[NH2+]CC2)C1 ZINC000911163775 660063825 /nfs/dbraw/zinc/06/38/25/660063825.db2.gz YJUILCSUEXUDQL-IYBDPMFKSA-N 2 0 353.511 -0.508 20 0 FBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000911175226 660064521 /nfs/dbraw/zinc/06/45/21/660064521.db2.gz FLZQDRLOIZLDNA-NEPJUHHUSA-N 2 0 368.400 -0.191 20 0 FBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000911175227 660064719 /nfs/dbraw/zinc/06/47/19/660064719.db2.gz FLZQDRLOIZLDNA-NWDGAFQWSA-N 2 0 368.400 -0.191 20 0 FBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000911175228 660064627 /nfs/dbraw/zinc/06/46/27/660064627.db2.gz FLZQDRLOIZLDNA-RYUDHWBXSA-N 2 0 368.400 -0.191 20 0 FBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000911175229 660064746 /nfs/dbraw/zinc/06/47/46/660064746.db2.gz FLZQDRLOIZLDNA-VXGBXAGGSA-N 2 0 368.400 -0.191 20 0 FBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000911177785 660064820 /nfs/dbraw/zinc/06/48/20/660064820.db2.gz WBGQMZDARNCMIW-GHMZBOCLSA-N 2 0 354.373 -0.581 20 0 FBADRP O=C(NCCCC[NH+]1CCOCC1)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000911182050 660064949 /nfs/dbraw/zinc/06/49/49/660064949.db2.gz ANJRQILGFPHPBT-CRAIPNDOSA-N 2 0 352.479 -0.137 20 0 FBADRP O=C(NCCCC[NH+]1CCOCC1)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000911182438 660064936 /nfs/dbraw/zinc/06/49/36/660064936.db2.gz DGZSNXAKMGHXHS-GOSISDBHSA-N 2 0 352.479 -0.040 20 0 FBADRP O=C(NCCCC[NH+]1CCOCC1)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000911182439 660064814 /nfs/dbraw/zinc/06/48/14/660064814.db2.gz DGZSNXAKMGHXHS-SFHVURJKSA-N 2 0 352.479 -0.040 20 0 FBADRP CC1CC[NH+](CCCCNC(=O)C(=O)N2CCNCC[NH2+]CC2)CC1 ZINC000911182696 660064806 /nfs/dbraw/zinc/06/48/06/660064806.db2.gz FKLCGLKVVQWSAS-UHFFFAOYSA-N 2 0 353.511 -0.364 20 0 FBADRP [NH3+]C[C@]12CC[C@H]1CCCN2C(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000911182973 660063798 /nfs/dbraw/zinc/06/37/98/660063798.db2.gz HBNMTZZLZUXZQH-CRAIPNDOSA-N 2 0 352.479 -0.055 20 0 FBADRP [NH3+]C[C@]12CC[C@@H]1CCCN2C(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000911182974 660063780 /nfs/dbraw/zinc/06/37/80/660063780.db2.gz HBNMTZZLZUXZQH-MAUKXSAKSA-N 2 0 352.479 -0.055 20 0 FBADRP [NH3+]C[C@@]12CC[C@H]1CCCN2C(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000911182975 660063711 /nfs/dbraw/zinc/06/37/11/660063711.db2.gz HBNMTZZLZUXZQH-QAPCUYQASA-N 2 0 352.479 -0.055 20 0 FBADRP [NH3+]C[C@@]12CC[C@@H]1CCCN2C(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000911182976 660063745 /nfs/dbraw/zinc/06/37/45/660063745.db2.gz HBNMTZZLZUXZQH-YJBOKZPZSA-N 2 0 352.479 -0.055 20 0 FBADRP [NH3+][C@@H]1CN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)C[C@H]1C(F)(F)F ZINC000911183041 660063832 /nfs/dbraw/zinc/06/38/32/660063832.db2.gz IMOCASQGVAAENN-VXGBXAGGSA-N 2 0 366.384 -0.437 20 0 FBADRP CC1CC[NH+](CCCCNC(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)CC1 ZINC000911183618 660063809 /nfs/dbraw/zinc/06/38/09/660063809.db2.gz NDIKMYZGRUXXRX-GOSISDBHSA-N 2 0 354.495 -0.073 20 0 FBADRP CC1CC[NH+](CCCCNC(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)CC1 ZINC000911183619 660063674 /nfs/dbraw/zinc/06/36/74/660063674.db2.gz NDIKMYZGRUXXRX-SFHVURJKSA-N 2 0 354.495 -0.073 20 0 FBADRP COCCCCNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000911184343 660063685 /nfs/dbraw/zinc/06/36/85/660063685.db2.gz SVAXDYFJWJTKMI-IYBDPMFKSA-N 2 0 352.479 -0.044 20 0 FBADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)C1 ZINC000911185465 660064025 /nfs/dbraw/zinc/06/40/25/660064025.db2.gz FXLXASFCEBKJPJ-CRAIPNDOSA-N 2 0 354.495 -0.073 20 0 FBADRP C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)C1 ZINC000911185466 660063952 /nfs/dbraw/zinc/06/39/52/660063952.db2.gz FXLXASFCEBKJPJ-MAUKXSAKSA-N 2 0 354.495 -0.073 20 0 FBADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)C1 ZINC000911185467 660064081 /nfs/dbraw/zinc/06/40/81/660064081.db2.gz FXLXASFCEBKJPJ-QAPCUYQASA-N 2 0 354.495 -0.073 20 0 FBADRP C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)C1 ZINC000911185468 660064002 /nfs/dbraw/zinc/06/40/02/660064002.db2.gz FXLXASFCEBKJPJ-YJBOKZPZSA-N 2 0 354.495 -0.073 20 0 FBADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)CC1 ZINC000911185477 660064104 /nfs/dbraw/zinc/06/41/04/660064104.db2.gz GISBDGFEHSJQSS-HNNXBMFYSA-N 2 0 353.511 -0.366 20 0 FBADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)CC1 ZINC000911185478 660063894 /nfs/dbraw/zinc/06/38/94/660063894.db2.gz GISBDGFEHSJQSS-OAHLLOKOSA-N 2 0 353.511 -0.366 20 0 FBADRP CN1CC[NH+](CCCCNC(=O)C(=O)N2CC[C@H]3CC[C@@]32C[NH3+])CC1 ZINC000911185483 660064072 /nfs/dbraw/zinc/06/40/72/660064072.db2.gz GKIGZRWWQBVALY-CRAIPNDOSA-N 2 0 351.495 -0.530 20 0 FBADRP CN1CC[NH+](CCCCNC(=O)C(=O)N2CC[C@@H]3CC[C@@]32C[NH3+])CC1 ZINC000911185484 660064083 /nfs/dbraw/zinc/06/40/83/660064083.db2.gz GKIGZRWWQBVALY-MAUKXSAKSA-N 2 0 351.495 -0.530 20 0 FBADRP CN1CC[NH+](CCCCNC(=O)C(=O)N2CC[C@H]3CC[C@]32C[NH3+])CC1 ZINC000911185485 660063929 /nfs/dbraw/zinc/06/39/29/660063929.db2.gz GKIGZRWWQBVALY-QAPCUYQASA-N 2 0 351.495 -0.530 20 0 FBADRP CN1CC[NH+](CCCCNC(=O)C(=O)N2CC[C@@H]3CC[C@]32C[NH3+])CC1 ZINC000911185486 660063993 /nfs/dbraw/zinc/06/39/93/660063993.db2.gz GKIGZRWWQBVALY-YJBOKZPZSA-N 2 0 351.495 -0.530 20 0 FBADRP C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CCNCC[NH2+]CC2)C1 ZINC000911185545 660064121 /nfs/dbraw/zinc/06/41/21/660064121.db2.gz HUCLTUXXIAMFDM-INIZCTEOSA-N 2 0 353.511 -0.364 20 0 FBADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CCNCC[NH2+]CC2)C1 ZINC000911185546 660064091 /nfs/dbraw/zinc/06/40/91/660064091.db2.gz HUCLTUXXIAMFDM-MRXNPFEDSA-N 2 0 353.511 -0.364 20 0 FBADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000911185889 660063918 /nfs/dbraw/zinc/06/39/18/660063918.db2.gz KVDMKGZPHGIZQJ-INIZCTEOSA-N 2 0 353.511 -0.221 20 0 FBADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000911185890 660063935 /nfs/dbraw/zinc/06/39/35/660063935.db2.gz KVDMKGZPHGIZQJ-MRXNPFEDSA-N 2 0 353.511 -0.221 20 0 FBADRP C[NH+](C)CC1CCC(NC(=O)C(=O)NCCN2CCC([NH3+])CC2)CC1 ZINC000911186369 660064031 /nfs/dbraw/zinc/06/40/31/660064031.db2.gz HUDFZGHMUMQNKI-UHFFFAOYSA-N 2 0 353.511 -0.238 20 0 FBADRP CC[N@H+](CCNC(=O)C(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1)C1CC1 ZINC000911186622 660064100 /nfs/dbraw/zinc/06/41/00/660064100.db2.gz JHSIMZFWGCDQGA-AWEZNQCLSA-N 2 0 352.479 -0.138 20 0 FBADRP CC[N@H+](CCNC(=O)C(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1)C1CC1 ZINC000911186623 660064050 /nfs/dbraw/zinc/06/40/50/660064050.db2.gz JHSIMZFWGCDQGA-CQSZACIVSA-N 2 0 352.479 -0.138 20 0 FBADRP C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000911187156 660063961 /nfs/dbraw/zinc/06/39/61/660063961.db2.gz QQPYWSKKEWMMLP-INIZCTEOSA-N 2 0 353.511 -0.269 20 0 FBADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)CC1 ZINC000911187837 660064259 /nfs/dbraw/zinc/06/42/59/660064259.db2.gz UCYLWDCKVCHPLT-HNNXBMFYSA-N 2 0 353.511 -0.284 20 0 FBADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)CC1 ZINC000911187838 660064422 /nfs/dbraw/zinc/06/44/22/660064422.db2.gz UCYLWDCKVCHPLT-OAHLLOKOSA-N 2 0 353.511 -0.284 20 0 FBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000911187926 660064391 /nfs/dbraw/zinc/06/43/91/660064391.db2.gz VSRNNBKRQNDMGD-HNNXBMFYSA-N 2 0 356.467 -0.948 20 0 FBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000911187927 660064287 /nfs/dbraw/zinc/06/42/87/660064287.db2.gz VSRNNBKRQNDMGD-OAHLLOKOSA-N 2 0 356.467 -0.948 20 0 FBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000911188287 660064314 /nfs/dbraw/zinc/06/43/14/660064314.db2.gz ULABKZCHXBLDKZ-IJLUTSLNSA-N 2 0 366.384 -0.439 20 0 FBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000911188288 660064356 /nfs/dbraw/zinc/06/43/56/660064356.db2.gz ULABKZCHXBLDKZ-QJPTWQEYSA-N 2 0 366.384 -0.439 20 0 FBADRP CN1CC[NH+](CCCCNC(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)CC1 ZINC000911188756 660064335 /nfs/dbraw/zinc/06/43/35/660064335.db2.gz YHOFKDOBOCMTLD-INIZCTEOSA-N 2 0 353.511 -0.221 20 0 FBADRP CN1CC[NH+](CCCCNC(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)CC1 ZINC000911188758 660064416 /nfs/dbraw/zinc/06/44/16/660064416.db2.gz YHOFKDOBOCMTLD-MRXNPFEDSA-N 2 0 353.511 -0.221 20 0 FBADRP CC[N@H+](CCNC(=O)C(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1)C1CC1 ZINC000911188832 660064271 /nfs/dbraw/zinc/06/42/71/660064271.db2.gz XJPCDQXIKCDTMT-HNNXBMFYSA-N 2 0 352.479 -0.057 20 0 FBADRP CC[N@H+](CCNC(=O)C(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1)C1CC1 ZINC000911188833 660064402 /nfs/dbraw/zinc/06/44/02/660064402.db2.gz XJPCDQXIKCDTMT-OAHLLOKOSA-N 2 0 352.479 -0.057 20 0 FBADRP CC[N@H+](CCNC(=O)C(=O)N1CC[NH2+]CCC12CCOCC2)C1CC1 ZINC000911189227 660064377 /nfs/dbraw/zinc/06/43/77/660064377.db2.gz ZBBNITMZDJUKEF-UHFFFAOYSA-N 2 0 352.479 -0.042 20 0 FBADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000911192459 660064329 /nfs/dbraw/zinc/06/43/29/660064329.db2.gz AEANRLADQUDRNA-LSDHHAIUSA-N 2 0 352.479 -0.329 20 0 FBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N(C)C1(C[NH3+])CCOCC1 ZINC000911192550 660064427 /nfs/dbraw/zinc/06/44/27/660064427.db2.gz BYVSJNMAOLNBNL-AWEZNQCLSA-N 2 0 356.467 -0.820 20 0 FBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N(C)C1(C[NH3+])CCOCC1 ZINC000911192552 660064215 /nfs/dbraw/zinc/06/42/15/660064215.db2.gz BYVSJNMAOLNBNL-CQSZACIVSA-N 2 0 356.467 -0.820 20 0 FBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000911193014 660064343 /nfs/dbraw/zinc/06/43/43/660064343.db2.gz GQLCMBAPOSLLGE-HDMKZQKVSA-N 2 0 352.479 -0.138 20 0 FBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000911193015 660064249 /nfs/dbraw/zinc/06/42/49/660064249.db2.gz GQLCMBAPOSLLGE-IIDMSEBBSA-N 2 0 352.479 -0.138 20 0 FBADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@]23CC[NH2+]C3)CC1 ZINC000911193026 660064341 /nfs/dbraw/zinc/06/43/41/660064341.db2.gz GTYMHYMCCGHHIG-GOSISDBHSA-N 2 0 352.479 -0.042 20 0 FBADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@]23CC[NH2+]C3)CC1 ZINC000911193027 660064241 /nfs/dbraw/zinc/06/42/41/660064241.db2.gz GTYMHYMCCGHHIG-SFHVURJKSA-N 2 0 352.479 -0.042 20 0 FBADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3CC[C@@]32C[NH3+])CC1 ZINC000911193231 660064332 /nfs/dbraw/zinc/06/43/32/660064332.db2.gz IYDWXSKYRRECDV-KBXCAEBGSA-N 2 0 352.479 -0.057 20 0 FBADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3CC[C@]32C[NH3+])CC1 ZINC000911193232 660064364 /nfs/dbraw/zinc/06/43/64/660064364.db2.gz IYDWXSKYRRECDV-KDOFPFPSSA-N 2 0 352.479 -0.057 20 0 FBADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3CC[C@]32C[NH3+])CC1 ZINC000911193233 660064308 /nfs/dbraw/zinc/06/43/08/660064308.db2.gz IYDWXSKYRRECDV-KSSFIOAISA-N 2 0 352.479 -0.057 20 0 FBADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3CC[C@@]32C[NH3+])CC1 ZINC000911193234 660064280 /nfs/dbraw/zinc/06/42/80/660064280.db2.gz IYDWXSKYRRECDV-RDTXWAMCSA-N 2 0 352.479 -0.057 20 0 FBADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2CC[NH2+]C[C@H]2COC)CC1 ZINC000911193239 660064311 /nfs/dbraw/zinc/06/43/11/660064311.db2.gz IZTMRLUKFOKCLL-HNNXBMFYSA-N 2 0 356.467 -0.950 20 0 FBADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2CC[NH2+]C[C@@H]2COC)CC1 ZINC000911193240 660064227 /nfs/dbraw/zinc/06/42/27/660064227.db2.gz IZTMRLUKFOKCLL-OAHLLOKOSA-N 2 0 356.467 -0.950 20 0 FBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000911194039 660064751 /nfs/dbraw/zinc/06/47/51/660064751.db2.gz HROZUXZGVNCEIZ-HWOWSKLDSA-N 2 0 352.479 -0.044 20 0 FBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000911194040 660064707 /nfs/dbraw/zinc/06/47/07/660064707.db2.gz HROZUXZGVNCEIZ-PCKAHOCUSA-N 2 0 352.479 -0.044 20 0 FBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000911194460 660064737 /nfs/dbraw/zinc/06/47/37/660064737.db2.gz NIOIFLXSMDLFNK-CRAIPNDOSA-N 2 0 352.479 -0.042 20 0 FBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000911194461 660064648 /nfs/dbraw/zinc/06/46/48/660064648.db2.gz NIOIFLXSMDLFNK-MAUKXSAKSA-N 2 0 352.479 -0.042 20 0 FBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000911194462 660064577 /nfs/dbraw/zinc/06/45/77/660064577.db2.gz NIOIFLXSMDLFNK-QAPCUYQASA-N 2 0 352.479 -0.042 20 0 FBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000911194463 660064672 /nfs/dbraw/zinc/06/46/72/660064672.db2.gz NIOIFLXSMDLFNK-YJBOKZPZSA-N 2 0 352.479 -0.042 20 0 FBADRP COCCC[NH+]1CCC(NC(=O)C(=O)NCC[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000911195573 660065335 /nfs/dbraw/zinc/06/53/35/660065335.db2.gz VITNQRYQOCURFR-HUUCEWRRSA-N 2 0 354.495 -0.035 20 0 FBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1CCC[N@@H+]1CCOC ZINC000911196323 660065309 /nfs/dbraw/zinc/06/53/09/660065309.db2.gz WPWFGLDZIWIAKA-CABCVRRESA-N 2 0 356.467 -0.950 20 0 FBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H]1CCC[N@@H+]1CCOC ZINC000911196326 660065452 /nfs/dbraw/zinc/06/54/52/660065452.db2.gz WPWFGLDZIWIAKA-GJZGRUSLSA-N 2 0 356.467 -0.950 20 0 FBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1CCC[N@@H+]1CCOC ZINC000911196329 660065318 /nfs/dbraw/zinc/06/53/18/660065318.db2.gz WPWFGLDZIWIAKA-HUUCEWRRSA-N 2 0 356.467 -0.950 20 0 FBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H]1CCC[N@@H+]1CCOC ZINC000911196331 660065421 /nfs/dbraw/zinc/06/54/21/660065421.db2.gz WPWFGLDZIWIAKA-LSDHHAIUSA-N 2 0 356.467 -0.950 20 0 FBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H]2CC[C@]21C[NH3+] ZINC000911196346 660065432 /nfs/dbraw/zinc/06/54/32/660065432.db2.gz WRNPPRLVBQZCOB-DAYGRLMNSA-N 2 0 352.479 -0.057 20 0 FBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H]2CC[C@@]21C[NH3+] ZINC000911196349 660065368 /nfs/dbraw/zinc/06/53/68/660065368.db2.gz WRNPPRLVBQZCOB-HDMKZQKVSA-N 2 0 352.479 -0.057 20 0 FBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000911196352 660065390 /nfs/dbraw/zinc/06/53/90/660065390.db2.gz WRNPPRLVBQZCOB-IIDMSEBBSA-N 2 0 352.479 -0.057 20 0 FBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000911196354 660065306 /nfs/dbraw/zinc/06/53/06/660065306.db2.gz WRNPPRLVBQZCOB-RKVPGOIHSA-N 2 0 352.479 -0.057 20 0 FBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)CCSC1 ZINC000911198105 660065583 /nfs/dbraw/zinc/06/55/83/660065583.db2.gz FVQAVVDFLPWYIB-BREBYQMCSA-N 2 0 368.425 -0.112 20 0 FBADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)CCSC1 ZINC000911198113 660065625 /nfs/dbraw/zinc/06/56/25/660065625.db2.gz FVQAVVDFLPWYIB-GIPNMCIBSA-N 2 0 368.425 -0.112 20 0 FBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)NCCN2CCC([NH3+])CC2)CCSC1 ZINC000911200652 660064894 /nfs/dbraw/zinc/06/48/94/660064894.db2.gz SMAZFQGSLWKPGB-INIZCTEOSA-N 2 0 357.524 -0.921 20 0 FBADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)NCCN2CCC([NH3+])CC2)CCSC1 ZINC000911200653 660064942 /nfs/dbraw/zinc/06/49/42/660064942.db2.gz SMAZFQGSLWKPGB-MRXNPFEDSA-N 2 0 357.524 -0.921 20 0 FBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000911201689 660064879 /nfs/dbraw/zinc/06/48/79/660064879.db2.gz YROLEQGEJVQMFW-BBRMVZONSA-N 2 0 358.508 -0.623 20 0 FBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000911201691 660064954 /nfs/dbraw/zinc/06/49/54/660064954.db2.gz YROLEQGEJVQMFW-CJNGLKHVSA-N 2 0 358.508 -0.623 20 0 FBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000911201693 660064831 /nfs/dbraw/zinc/06/48/31/660064831.db2.gz YROLEQGEJVQMFW-CZUORRHYSA-N 2 0 358.508 -0.623 20 0 FBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000911201694 660064841 /nfs/dbraw/zinc/06/48/41/660064841.db2.gz YROLEQGEJVQMFW-XJKSGUPXSA-N 2 0 358.508 -0.623 20 0 FBADRP CN(C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1)C1(C[NH3+])CCOCC1 ZINC000911201756 660064869 /nfs/dbraw/zinc/06/48/69/660064869.db2.gz ZKWDMFAUTKQRAQ-INIZCTEOSA-N 2 0 358.508 -0.494 20 0 FBADRP CN(C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1)C1(C[NH3+])CCOCC1 ZINC000911201857 660064882 /nfs/dbraw/zinc/06/48/82/660064882.db2.gz ZKWDMFAUTKQRAQ-MRXNPFEDSA-N 2 0 358.508 -0.494 20 0 FBADRP C[C@@H](CNC(=O)C(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1)[N@H+](C)C1CC1 ZINC000911205338 660064926 /nfs/dbraw/zinc/06/49/26/660064926.db2.gz JSSNVAXZIPVLET-KBPBESRZSA-N 2 0 352.479 -0.140 20 0 FBADRP C[C@H](CNC(=O)C(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1)[N@H+](C)C1CC1 ZINC000911205340 660064909 /nfs/dbraw/zinc/06/49/09/660064909.db2.gz JSSNVAXZIPVLET-KGLIPLIRSA-N 2 0 352.479 -0.140 20 0 FBADRP C[C@@H](CNC(=O)C(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1)[N@H+](C)C1CC1 ZINC000911205342 660065192 /nfs/dbraw/zinc/06/51/92/660065192.db2.gz JSSNVAXZIPVLET-UONOGXRCSA-N 2 0 352.479 -0.140 20 0 FBADRP C[C@H](CNC(=O)C(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1)[N@H+](C)C1CC1 ZINC000911205343 660065112 /nfs/dbraw/zinc/06/51/12/660065112.db2.gz JSSNVAXZIPVLET-ZIAGYGMSSA-N 2 0 352.479 -0.140 20 0 FBADRP C[C@@H](CNC(=O)C(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1)[N@H+](C)C1CC1 ZINC000911208167 660065094 /nfs/dbraw/zinc/06/50/94/660065094.db2.gz WKPKLUIMHCVVPT-DZGCQCFKSA-N 2 0 352.479 -0.058 20 0 FBADRP C[C@H](CNC(=O)C(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1)[N@H+](C)C1CC1 ZINC000911208168 660065150 /nfs/dbraw/zinc/06/51/50/660065150.db2.gz WKPKLUIMHCVVPT-HIFRSBDPSA-N 2 0 352.479 -0.058 20 0 FBADRP C[C@H](CNC(=O)C(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1)[N@H+](C)C1CC1 ZINC000911208169 660065056 /nfs/dbraw/zinc/06/50/56/660065056.db2.gz WKPKLUIMHCVVPT-UKRRQHHQSA-N 2 0 352.479 -0.058 20 0 FBADRP C[C@@H](CNC(=O)C(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1)[N@H+](C)C1CC1 ZINC000911208170 660065076 /nfs/dbraw/zinc/06/50/76/660065076.db2.gz WKPKLUIMHCVVPT-ZFWWWQNUSA-N 2 0 352.479 -0.058 20 0 FBADRP C[C@@H](CNC(=O)C(=O)N1CC[NH2+]CCC12CCOCC2)[N@H+](C)C1CC1 ZINC000911208241 660065063 /nfs/dbraw/zinc/06/50/63/660065063.db2.gz WVJSMXWPFZFJSK-AWEZNQCLSA-N 2 0 352.479 -0.044 20 0 FBADRP C[C@H](CNC(=O)C(=O)N1CC[NH2+]CCC12CCOCC2)[N@H+](C)C1CC1 ZINC000911208243 660065170 /nfs/dbraw/zinc/06/51/70/660065170.db2.gz WVJSMXWPFZFJSK-CQSZACIVSA-N 2 0 352.479 -0.044 20 0 FBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000911220679 660065304 /nfs/dbraw/zinc/06/53/04/660065304.db2.gz YIKDVMSBCXIVJG-INIZCTEOSA-N 2 0 352.479 -0.186 20 0 FBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000911220680 660065380 /nfs/dbraw/zinc/06/53/80/660065380.db2.gz YIKDVMSBCXIVJG-MRXNPFEDSA-N 2 0 352.479 -0.186 20 0 FBADRP CC1(C)CN(C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)C[C@@H]1[NH3+] ZINC000911228630 660066201 /nfs/dbraw/zinc/06/62/01/660066201.db2.gz HXSXYGYABICLDL-AWEZNQCLSA-N 2 0 352.479 -0.057 20 0 FBADRP CC1(C)CN(C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)C[C@H]1[NH3+] ZINC000911228632 660066249 /nfs/dbraw/zinc/06/62/49/660066249.db2.gz HXSXYGYABICLDL-CQSZACIVSA-N 2 0 352.479 -0.057 20 0 FBADRP [NH3+]CC[C@H]1CCN(C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000911229667 660066286 /nfs/dbraw/zinc/06/62/86/660066286.db2.gz LKIAKQSIQRWDBE-HNNXBMFYSA-N 2 0 352.479 -0.055 20 0 FBADRP [NH3+]CC[C@@H]1CCN(C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000911229668 660066176 /nfs/dbraw/zinc/06/61/76/660066176.db2.gz LKIAKQSIQRWDBE-OAHLLOKOSA-N 2 0 352.479 -0.055 20 0 FBADRP CC(C)(CNC(=O)C(=O)NCCN1CCC([NH3+])CC1)C[NH+]1CCCC1 ZINC000911229844 660066282 /nfs/dbraw/zinc/06/62/82/660066282.db2.gz MFHGLEOMGSVEOU-UHFFFAOYSA-N 2 0 353.511 -0.236 20 0 FBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000911230218 660066217 /nfs/dbraw/zinc/06/62/17/660066217.db2.gz POXYCVFWFBNXON-CABCVRRESA-N 2 0 352.479 -0.281 20 0 FBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000911230851 660066287 /nfs/dbraw/zinc/06/62/87/660066287.db2.gz IWJSBWORBLTJJR-GHMZBOCLSA-N 2 0 354.373 -0.581 20 0 FBADRP CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000911231054 660066194 /nfs/dbraw/zinc/06/61/94/660066194.db2.gz XAPPUSDYXXTXMF-AWEZNQCLSA-N 2 0 352.479 -0.138 20 0 FBADRP CC1(C)C[NH2+]C[C@H]1NC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000911231056 660066265 /nfs/dbraw/zinc/06/62/65/660066265.db2.gz XAPPUSDYXXTXMF-CQSZACIVSA-N 2 0 352.479 -0.138 20 0 FBADRP [NH3+][C@@H]1CC[C@H](CNC(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000911231195 660066452 /nfs/dbraw/zinc/06/64/52/660066452.db2.gz XQUFSHXECLPSJJ-LSDHHAIUSA-N 2 0 352.479 -0.009 20 0 FBADRP O=C(NCC1([NH+]2CCCC2)CCOCC1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911231260 660066430 /nfs/dbraw/zinc/06/64/30/660066430.db2.gz ZBXSVVRIZRESCP-QLFBSQMISA-N 2 0 350.463 -0.243 20 0 FBADRP O=C(NCC1([NH+]2CCCC2)CCOCC1)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911231263 660066449 /nfs/dbraw/zinc/06/64/49/660066449.db2.gz ZBXSVVRIZRESCP-RRFJBIMHSA-N 2 0 350.463 -0.243 20 0 FBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000911232575 660066433 /nfs/dbraw/zinc/06/64/33/660066433.db2.gz XKAWJPANRHLIHJ-NEPJUHHUSA-N 2 0 368.400 -0.191 20 0 FBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000911232576 660066447 /nfs/dbraw/zinc/06/64/47/660066447.db2.gz XKAWJPANRHLIHJ-NWDGAFQWSA-N 2 0 368.400 -0.191 20 0 FBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000911232577 660066474 /nfs/dbraw/zinc/06/64/74/660066474.db2.gz XKAWJPANRHLIHJ-RYUDHWBXSA-N 2 0 368.400 -0.191 20 0 FBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000911232578 660066394 /nfs/dbraw/zinc/06/63/94/660066394.db2.gz XKAWJPANRHLIHJ-VXGBXAGGSA-N 2 0 368.400 -0.191 20 0 FBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000911237003 660065528 /nfs/dbraw/zinc/06/55/28/660065528.db2.gz CNSOONWRRVVPKA-CVEARBPZSA-N 2 0 352.479 -0.044 20 0 FBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000911237005 660065641 /nfs/dbraw/zinc/06/56/41/660065641.db2.gz CNSOONWRRVVPKA-HOTGVXAUSA-N 2 0 352.479 -0.044 20 0 FBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000911237007 660065605 /nfs/dbraw/zinc/06/56/05/660065605.db2.gz CNSOONWRRVVPKA-HZPDHXFCSA-N 2 0 352.479 -0.044 20 0 FBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000911237014 660065613 /nfs/dbraw/zinc/06/56/13/660065613.db2.gz CNSOONWRRVVPKA-JKSUJKDBSA-N 2 0 352.479 -0.044 20 0 FBADRP [NH3+]C1CCN(CCNC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000911238762 660065831 /nfs/dbraw/zinc/06/58/31/660065831.db2.gz VZOCYSVWPCXOSE-INIZCTEOSA-N 2 0 351.495 -0.341 20 0 FBADRP [NH3+]C1CCN(CCNC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000911238763 660065804 /nfs/dbraw/zinc/06/58/04/660065804.db2.gz VZOCYSVWPCXOSE-MRXNPFEDSA-N 2 0 351.495 -0.341 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)C1 ZINC000911239936 660065841 /nfs/dbraw/zinc/06/58/41/660065841.db2.gz GZCQFUJEHOSVOF-QJPTWQEYSA-N 2 0 366.384 -0.439 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)C1 ZINC000911239937 660065798 /nfs/dbraw/zinc/06/57/98/660065798.db2.gz GZCQFUJEHOSVOF-SDDRHHMPSA-N 2 0 366.384 -0.439 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)C1 ZINC000911239938 660065894 /nfs/dbraw/zinc/06/58/94/660065894.db2.gz GZCQFUJEHOSVOF-SRVKXCTJSA-N 2 0 366.384 -0.439 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)C1 ZINC000911239939 660065818 /nfs/dbraw/zinc/06/58/18/660065818.db2.gz GZCQFUJEHOSVOF-TUAOUCFPSA-N 2 0 366.384 -0.439 20 0 FBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)C1 ZINC000911241301 660065849 /nfs/dbraw/zinc/06/58/49/660065849.db2.gz LYULMPGKPUJIOF-GMTAPVOTSA-N 2 0 352.357 -0.829 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)C1 ZINC000911241303 660065815 /nfs/dbraw/zinc/06/58/15/660065815.db2.gz LYULMPGKPUJIOF-HBNTYKKESA-N 2 0 352.357 -0.829 20 0 FBADRP C[C@@H](CCNC(=O)C(=O)NCCN1CCC([NH3+])CC1)[NH+]1CCCCC1 ZINC000911242336 660065812 /nfs/dbraw/zinc/06/58/12/660065812.db2.gz HOZWIPJXEXBCKW-HNNXBMFYSA-N 2 0 353.511 -0.094 20 0 FBADRP C[C@H](CCNC(=O)C(=O)NCCN1CCC([NH3+])CC1)[NH+]1CCCCC1 ZINC000911242338 660065802 /nfs/dbraw/zinc/06/58/02/660065802.db2.gz HOZWIPJXEXBCKW-OAHLLOKOSA-N 2 0 353.511 -0.094 20 0 FBADRP O=C(NC[C@H]1CCCO1)C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000911244318 660066075 /nfs/dbraw/zinc/06/60/75/660066075.db2.gz LSKXEELLAMTLJV-OWCLPIDISA-N 2 0 350.463 -0.291 20 0 FBADRP O=C(NC[C@@H]1CCCO1)C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000911244319 660066034 /nfs/dbraw/zinc/06/60/34/660066034.db2.gz LSKXEELLAMTLJV-XHSDSOJGSA-N 2 0 350.463 -0.291 20 0 FBADRP CC[NH+](CC)CCNC(=O)C(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000911244691 660066045 /nfs/dbraw/zinc/06/60/45/660066045.db2.gz QKJKMIFXBGVUNN-CYBMUJFWSA-N 2 0 354.451 -0.754 20 0 FBADRP CC[NH+](CC)CCNC(=O)C(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000911244692 660066031 /nfs/dbraw/zinc/06/60/31/660066031.db2.gz QKJKMIFXBGVUNN-ZDUSSCGKSA-N 2 0 354.451 -0.754 20 0 FBADRP CC1(C)CC(NC(=O)C(=O)NCCN2CCC([NH3+])CC2)CC(C)(C)[NH2+]1 ZINC000911246939 660066069 /nfs/dbraw/zinc/06/60/69/660066069.db2.gz LZBARUPKVDCXNB-UHFFFAOYSA-N 2 0 353.511 -0.049 20 0 FBADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000911255449 660067472 /nfs/dbraw/zinc/06/74/72/660067472.db2.gz NDPHQOCMCDPTPI-KGLIPLIRSA-N 2 0 354.495 -0.036 20 0 FBADRP [NH3+]C1CCN(CCNC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)CC1 ZINC000911256768 660067632 /nfs/dbraw/zinc/06/76/32/660067632.db2.gz AXCXCSBGCCZUSR-UHFFFAOYSA-N 2 0 351.495 -0.484 20 0 FBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CC[NH2+]CCC12CCOCC2 ZINC000911256783 660067745 /nfs/dbraw/zinc/06/77/45/660067745.db2.gz BEXXGFQIQYWQBI-UHFFFAOYSA-N 2 0 356.467 -0.948 20 0 FBADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911256875 660067695 /nfs/dbraw/zinc/06/76/95/660067695.db2.gz CILJIWGBUOQXQS-HNNXBMFYSA-N 2 0 353.511 -0.238 20 0 FBADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911256877 660067663 /nfs/dbraw/zinc/06/76/63/660067663.db2.gz CILJIWGBUOQXQS-OAHLLOKOSA-N 2 0 353.511 -0.238 20 0 FBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000911257712 660067618 /nfs/dbraw/zinc/06/76/18/660067618.db2.gz KRVWWQBDSXFXBV-GHMZBOCLSA-N 2 0 354.373 -0.581 20 0 FBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000911257713 660067726 /nfs/dbraw/zinc/06/77/26/660067726.db2.gz KRVWWQBDSXFXBV-MNOVXSKESA-N 2 0 354.373 -0.581 20 0 FBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000911257714 660067716 /nfs/dbraw/zinc/06/77/16/660067716.db2.gz KRVWWQBDSXFXBV-QWRGUYRKSA-N 2 0 354.373 -0.581 20 0 FBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000911257715 660067625 /nfs/dbraw/zinc/06/76/25/660067625.db2.gz KRVWWQBDSXFXBV-WDEREUQCSA-N 2 0 354.373 -0.581 20 0 FBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000911258013 660067728 /nfs/dbraw/zinc/06/77/28/660067728.db2.gz LPHJNSRXWUHUNJ-INIZCTEOSA-N 2 0 352.479 -0.186 20 0 FBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000911258016 660067652 /nfs/dbraw/zinc/06/76/52/660067652.db2.gz LPHJNSRXWUHUNJ-MRXNPFEDSA-N 2 0 352.479 -0.186 20 0 FBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000911259254 660067635 /nfs/dbraw/zinc/06/76/35/660067635.db2.gz WZFOKVXLLIBLQJ-AWEZNQCLSA-N 2 0 356.467 -0.963 20 0 FBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000911259256 660067734 /nfs/dbraw/zinc/06/77/34/660067734.db2.gz WZFOKVXLLIBLQJ-CQSZACIVSA-N 2 0 356.467 -0.963 20 0 FBADRP CCOCCCNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000911260094 660067679 /nfs/dbraw/zinc/06/76/79/660067679.db2.gz SQSIPGCARUZIFB-IYBDPMFKSA-N 2 0 352.479 -0.044 20 0 FBADRP C[NH+](C)C1(CNC(=O)C(=O)NCCN2CCC([NH3+])CC2)CCCCC1 ZINC000911268155 660067969 /nfs/dbraw/zinc/06/79/69/660067969.db2.gz MNDIYXDJRFKFLC-UHFFFAOYSA-N 2 0 353.511 -0.094 20 0 FBADRP C[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@]21C[NH3+])C[NH+]1CCN(C)CC1 ZINC000911269020 660066479 /nfs/dbraw/zinc/06/64/79/660066479.db2.gz HAFOHOZZHWIUPM-IIDMSEBBSA-N 2 0 351.495 -0.674 20 0 FBADRP C[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@]21C[NH3+])C[NH+]1CCN(C)CC1 ZINC000911269021 660066441 /nfs/dbraw/zinc/06/64/41/660066441.db2.gz HAFOHOZZHWIUPM-RKVPGOIHSA-N 2 0 351.495 -0.674 20 0 FBADRP C[C@H](CNC(=O)C(=O)N1CC[C@@H]2CC[C@@]21C[NH3+])C[NH+]1CCN(C)CC1 ZINC000911269022 660066426 /nfs/dbraw/zinc/06/64/26/660066426.db2.gz HAFOHOZZHWIUPM-RVKKMQEKSA-N 2 0 351.495 -0.674 20 0 FBADRP C[C@H](CNC(=O)C(=O)N1CC[C@@H]2CC[C@]21C[NH3+])C[NH+]1CCN(C)CC1 ZINC000911269023 660066454 /nfs/dbraw/zinc/06/64/54/660066454.db2.gz HAFOHOZZHWIUPM-VKJFTORMSA-N 2 0 351.495 -0.674 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)CC1 ZINC000911269362 660066461 /nfs/dbraw/zinc/06/64/61/660066461.db2.gz JYCOKHDXZOMCPV-CABCVRRESA-N 2 0 353.511 -0.428 20 0 FBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)CC1 ZINC000911269363 660066415 /nfs/dbraw/zinc/06/64/15/660066415.db2.gz JYCOKHDXZOMCPV-GJZGRUSLSA-N 2 0 353.511 -0.428 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)CC1 ZINC000911269364 660066424 /nfs/dbraw/zinc/06/64/24/660066424.db2.gz JYCOKHDXZOMCPV-HUUCEWRRSA-N 2 0 353.511 -0.428 20 0 FBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)CC1 ZINC000911269365 660066681 /nfs/dbraw/zinc/06/66/81/660066681.db2.gz JYCOKHDXZOMCPV-LSDHHAIUSA-N 2 0 353.511 -0.428 20 0 FBADRP C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000911269386 660066654 /nfs/dbraw/zinc/06/66/54/660066654.db2.gz KICIMAMJHRZYIF-CVEARBPZSA-N 2 0 353.511 -0.413 20 0 FBADRP C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000911269387 660066824 /nfs/dbraw/zinc/06/68/24/660066824.db2.gz KICIMAMJHRZYIF-HOTGVXAUSA-N 2 0 353.511 -0.413 20 0 FBADRP C[C@H](CNC(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1)C[NH+]1CCN(C)CC1 ZINC000911269390 660066701 /nfs/dbraw/zinc/06/67/01/660066701.db2.gz KJHHEDSXCQHVLN-CVEARBPZSA-N 2 0 353.511 -0.366 20 0 FBADRP C[C@@H](CNC(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1)C[NH+]1CCN(C)CC1 ZINC000911269391 660066623 /nfs/dbraw/zinc/06/66/23/660066623.db2.gz KJHHEDSXCQHVLN-HOTGVXAUSA-N 2 0 353.511 -0.366 20 0 FBADRP C[C@H](CNC(=O)C(=O)NC[C@H]1CCCCC[NH2+]1)C[NH+]1CCN(C)CC1 ZINC000911269392 660066674 /nfs/dbraw/zinc/06/66/74/660066674.db2.gz KJHHEDSXCQHVLN-HZPDHXFCSA-N 2 0 353.511 -0.366 20 0 FBADRP C[C@@H](CNC(=O)C(=O)NC[C@H]1CCCCC[NH2+]1)C[NH+]1CCN(C)CC1 ZINC000911269393 660066755 /nfs/dbraw/zinc/06/67/55/660066755.db2.gz KJHHEDSXCQHVLN-JKSUJKDBSA-N 2 0 353.511 -0.366 20 0 FBADRP C[C@@H](CNC(=O)C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C)C[NH+]1CCN(C)CC1 ZINC000911269531 660066612 /nfs/dbraw/zinc/06/66/12/660066612.db2.gz LFOZETPSDZJJGR-ARFHVFGLSA-N 2 0 353.511 -0.652 20 0 FBADRP C[C@H](CNC(=O)C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C)C[NH+]1CCN(C)CC1 ZINC000911269534 660066763 /nfs/dbraw/zinc/06/67/63/660066763.db2.gz LFOZETPSDZJJGR-BZUAXINKSA-N 2 0 353.511 -0.652 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000911269539 660066789 /nfs/dbraw/zinc/06/67/89/660066789.db2.gz LJGJFVBEPVQATC-OAGGEKHMSA-N 2 0 353.511 -0.380 20 0 FBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000911269541 660066616 /nfs/dbraw/zinc/06/66/16/660066616.db2.gz LJGJFVBEPVQATC-XHSDSOJGSA-N 2 0 353.511 -0.380 20 0 FBADRP [NH3+]C1(CNC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CCCCC1 ZINC000911269583 660066587 /nfs/dbraw/zinc/06/65/87/660066587.db2.gz MNPOIFCWTUGHDA-CABCVRRESA-N 2 0 352.479 -0.178 20 0 FBADRP [NH3+]C1(CNC(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)CCCCC1 ZINC000911269584 660066633 /nfs/dbraw/zinc/06/66/33/660066633.db2.gz MNPOIFCWTUGHDA-GJZGRUSLSA-N 2 0 352.479 -0.178 20 0 FBADRP [NH3+]C1(CNC(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)CCCCC1 ZINC000911269585 660066686 /nfs/dbraw/zinc/06/66/86/660066686.db2.gz MNPOIFCWTUGHDA-HUUCEWRRSA-N 2 0 352.479 -0.178 20 0 FBADRP [NH3+]C1(CNC(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)CCCCC1 ZINC000911269586 660066746 /nfs/dbraw/zinc/06/67/46/660066746.db2.gz MNPOIFCWTUGHDA-LSDHHAIUSA-N 2 0 352.479 -0.178 20 0 FBADRP C[C@@H](CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)C[NH+]1CCN(C)CC1 ZINC000911269682 660066809 /nfs/dbraw/zinc/06/68/09/660066809.db2.gz NUHHFWCMCUDCAO-HRCADAONSA-N 2 0 351.495 -0.946 20 0 FBADRP C[C@H](CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)C[NH+]1CCN(C)CC1 ZINC000911269683 660066648 /nfs/dbraw/zinc/06/66/48/660066648.db2.gz NUHHFWCMCUDCAO-OWCLPIDISA-N 2 0 351.495 -0.946 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NC[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000911269724 660066816 /nfs/dbraw/zinc/06/68/16/660066816.db2.gz OPWLRVIWVMDVQE-OAGGEKHMSA-N 2 0 353.511 -0.652 20 0 FBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NC[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000911269725 660066659 /nfs/dbraw/zinc/06/66/59/660066659.db2.gz OPWLRVIWVMDVQE-XHSDSOJGSA-N 2 0 353.511 -0.652 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CC[C@H](CC[NH3+])C2)CC1 ZINC000911269924 660066602 /nfs/dbraw/zinc/06/66/02/660066602.db2.gz QROQFFUFLQWTMA-CVEARBPZSA-N 2 0 353.511 -0.427 20 0 FBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CC[C@H](CC[NH3+])C2)CC1 ZINC000911269925 660066712 /nfs/dbraw/zinc/06/67/12/660066712.db2.gz QROQFFUFLQWTMA-HOTGVXAUSA-N 2 0 353.511 -0.427 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)CC1 ZINC000911269926 660066772 /nfs/dbraw/zinc/06/67/72/660066772.db2.gz QROQFFUFLQWTMA-HZPDHXFCSA-N 2 0 353.511 -0.427 20 0 FBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)CC1 ZINC000911269927 660066666 /nfs/dbraw/zinc/06/66/66/660066666.db2.gz QROQFFUFLQWTMA-JKSUJKDBSA-N 2 0 353.511 -0.427 20 0 FBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC000911270099 660066638 /nfs/dbraw/zinc/06/66/38/660066638.db2.gz SRIJWXIFXTYLOS-ARFHVFGLSA-N 2 0 353.511 -0.571 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)CC1 ZINC000911270105 660066736 /nfs/dbraw/zinc/06/67/36/660066736.db2.gz STVNXFGWWRBPHM-CABCVRRESA-N 2 0 353.511 -0.510 20 0 FBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)CC1 ZINC000911270106 660066694 /nfs/dbraw/zinc/06/66/94/660066694.db2.gz STVNXFGWWRBPHM-GJZGRUSLSA-N 2 0 353.511 -0.510 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)CC1 ZINC000911270107 660066642 /nfs/dbraw/zinc/06/66/42/660066642.db2.gz STVNXFGWWRBPHM-HUUCEWRRSA-N 2 0 353.511 -0.510 20 0 FBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)CC1 ZINC000911270108 660066797 /nfs/dbraw/zinc/06/67/97/660066797.db2.gz STVNXFGWWRBPHM-LSDHHAIUSA-N 2 0 353.511 -0.510 20 0 FBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC1 ZINC000911270290 660066880 /nfs/dbraw/zinc/06/68/80/660066880.db2.gz VIEZCLRFAIFRKE-CAOSSQGBSA-N 2 0 351.495 -0.615 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC1 ZINC000911270291 660066977 /nfs/dbraw/zinc/06/69/77/660066977.db2.gz VIEZCLRFAIFRKE-LVQVYYBASA-N 2 0 351.495 -0.615 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC1 ZINC000911270292 660067020 /nfs/dbraw/zinc/06/70/20/660067020.db2.gz VIEZCLRFAIFRKE-QKPAOTATSA-N 2 0 351.495 -0.615 20 0 FBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC1 ZINC000911270293 660066914 /nfs/dbraw/zinc/06/69/14/660066914.db2.gz VIEZCLRFAIFRKE-XUWVNRHRSA-N 2 0 351.495 -0.615 20 0 FBADRP C[C@@H](CNC(=O)C(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1)C[NH+]1CCN(C)CC1 ZINC000911270464 660067002 /nfs/dbraw/zinc/06/70/02/660067002.db2.gz XFQZHGBVJFVBIF-ARFHVFGLSA-N 2 0 353.511 -0.571 20 0 FBADRP C[C@H](CNC(=O)C(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1)C[NH+]1CCN(C)CC1 ZINC000911270465 660066959 /nfs/dbraw/zinc/06/69/59/660066959.db2.gz XFQZHGBVJFVBIF-BZUAXINKSA-N 2 0 353.511 -0.571 20 0 FBADRP C[C@H](CNC(=O)C(=O)N1CC[C@H](C[NH3+])[C@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000911270510 660066995 /nfs/dbraw/zinc/06/69/95/660066995.db2.gz YACOAHPJTFYFPH-BZUAXINKSA-N 2 0 353.511 -0.571 20 0 FBADRP C[C@H](CNC(=O)C(=O)N1CC[C@@H](C[NH3+])[C@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000911270511 660066868 /nfs/dbraw/zinc/06/68/68/660066868.db2.gz YACOAHPJTFYFPH-OAGGEKHMSA-N 2 0 353.511 -0.571 20 0 FBADRP C[C@H](CNC(=O)C(=O)N1CC[C@H](C[NH3+])[C@@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000911270512 660066908 /nfs/dbraw/zinc/06/69/08/660066908.db2.gz YACOAHPJTFYFPH-OWCLPIDISA-N 2 0 353.511 -0.571 20 0 FBADRP C[C@H](CNC(=O)C(=O)N1CC[C@@H](C[NH3+])[C@@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000911270513 660067042 /nfs/dbraw/zinc/06/70/42/660067042.db2.gz YACOAHPJTFYFPH-PMPSAXMXSA-N 2 0 353.511 -0.571 20 0 FBADRP C[C@H](CNC(=O)C(=O)N1CCC[C@]12CC[NH2+]C2)C[NH+]1CCN(C)CC1 ZINC000911270600 660066984 /nfs/dbraw/zinc/06/69/84/660066984.db2.gz ZMLSDJXJVFXVNB-CRAIPNDOSA-N 2 0 351.495 -0.659 20 0 FBADRP C[C@@H](CNC(=O)C(=O)N1CCC[C@]12CC[NH2+]C2)C[NH+]1CCN(C)CC1 ZINC000911270601 660066888 /nfs/dbraw/zinc/06/68/88/660066888.db2.gz ZMLSDJXJVFXVNB-MAUKXSAKSA-N 2 0 351.495 -0.659 20 0 FBADRP C[C@H](CNC(=O)C(=O)N1CCC[C@@]12CC[NH2+]C2)C[NH+]1CCN(C)CC1 ZINC000911270602 660066935 /nfs/dbraw/zinc/06/69/35/660066935.db2.gz ZMLSDJXJVFXVNB-QAPCUYQASA-N 2 0 351.495 -0.659 20 0 FBADRP C[C@@H](CNC(=O)C(=O)N1CCC[C@@]12CC[NH2+]C2)C[NH+]1CCN(C)CC1 ZINC000911270603 660067031 /nfs/dbraw/zinc/06/70/31/660067031.db2.gz ZMLSDJXJVFXVNB-YJBOKZPZSA-N 2 0 351.495 -0.659 20 0 FBADRP CC1([NH+]2CCC2)CCC(NC(=O)C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000911273887 660067194 /nfs/dbraw/zinc/06/71/94/660067194.db2.gz MFYRRYCLYWFVBW-UHFFFAOYSA-N 2 0 351.495 -0.469 20 0 FBADRP C[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO)[C@H]1CCC[NH2+]C1 ZINC000911274856 660067214 /nfs/dbraw/zinc/06/72/14/660067214.db2.gz JRTGYOHLOOPTPT-CAOSSQGBSA-N 2 0 352.479 -0.452 20 0 FBADRP C[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO)[C@@H]1CCC[NH2+]C1 ZINC000911274857 660067285 /nfs/dbraw/zinc/06/72/85/660067285.db2.gz JRTGYOHLOOPTPT-JJXSEGSLSA-N 2 0 352.479 -0.452 20 0 FBADRP C[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO)[C@H]1CCC[NH2+]C1 ZINC000911274858 660067199 /nfs/dbraw/zinc/06/71/99/660067199.db2.gz JRTGYOHLOOPTPT-JONQDZQNSA-N 2 0 352.479 -0.452 20 0 FBADRP C[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO)[C@@H]1CCC[NH2+]C1 ZINC000911274859 660067230 /nfs/dbraw/zinc/06/72/30/660067230.db2.gz JRTGYOHLOOPTPT-ZJIFWQFVSA-N 2 0 352.479 -0.452 20 0 FBADRP CC1(CNC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CC[NH2+]CC1 ZINC000911298625 660067775 /nfs/dbraw/zinc/06/77/75/660067775.db2.gz ORFFOTIOVSEKRY-CABCVRRESA-N 2 0 352.479 -0.450 20 0 FBADRP CC1(CNC(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)CC[NH2+]CC1 ZINC000911298637 660067942 /nfs/dbraw/zinc/06/79/42/660067942.db2.gz ORFFOTIOVSEKRY-GJZGRUSLSA-N 2 0 352.479 -0.450 20 0 FBADRP CC1(CNC(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)CC[NH2+]CC1 ZINC000911298638 660067912 /nfs/dbraw/zinc/06/79/12/660067912.db2.gz ORFFOTIOVSEKRY-HUUCEWRRSA-N 2 0 352.479 -0.450 20 0 FBADRP CC1(CNC(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)CC[NH2+]CC1 ZINC000911298639 660067971 /nfs/dbraw/zinc/06/79/71/660067971.db2.gz ORFFOTIOVSEKRY-LSDHHAIUSA-N 2 0 352.479 -0.450 20 0 FBADRP [NH3+]C[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO)C1CCCC1 ZINC000911299294 660068195 /nfs/dbraw/zinc/06/81/95/660068195.db2.gz WSMMMTAHMPFEFO-ARFHVFGLSA-N 2 0 352.479 -0.322 20 0 FBADRP [NH3+]C[C@H](NC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO)C1CCCC1 ZINC000911299295 660068168 /nfs/dbraw/zinc/06/81/68/660068168.db2.gz WSMMMTAHMPFEFO-HRCADAONSA-N 2 0 352.479 -0.322 20 0 FBADRP [NH3+]C[C@H](NC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO)C1CCCC1 ZINC000911299296 660068190 /nfs/dbraw/zinc/06/81/90/660068190.db2.gz WSMMMTAHMPFEFO-JYJNAYRXSA-N 2 0 352.479 -0.322 20 0 FBADRP [NH3+]C[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO)C1CCCC1 ZINC000911299297 660068209 /nfs/dbraw/zinc/06/82/09/660068209.db2.gz WSMMMTAHMPFEFO-XHSDSOJGSA-N 2 0 352.479 -0.322 20 0 FBADRP C[C@]1(CNC(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)CCC[NH2+]C1 ZINC000911299721 660068186 /nfs/dbraw/zinc/06/81/86/660068186.db2.gz YHMZFVJPWCBNNI-DAYGRLMNSA-N 2 0 352.479 -0.450 20 0 FBADRP C[C@]1(CNC(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)CCC[NH2+]C1 ZINC000911299722 660068159 /nfs/dbraw/zinc/06/81/59/660068159.db2.gz YHMZFVJPWCBNNI-MPGHIAIKSA-N 2 0 352.479 -0.450 20 0 FBADRP C[C@]1(CNC(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)CCC[NH2+]C1 ZINC000911299723 660068199 /nfs/dbraw/zinc/06/81/99/660068199.db2.gz YHMZFVJPWCBNNI-RKVPGOIHSA-N 2 0 352.479 -0.450 20 0 FBADRP C[C@]1(CNC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CCC[NH2+]C1 ZINC000911299724 660068202 /nfs/dbraw/zinc/06/82/02/660068202.db2.gz YHMZFVJPWCBNNI-VKJFTORMSA-N 2 0 352.479 -0.450 20 0 FBADRP O=C(NCCC1=CC[NH2+]CC1)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000911312324 660069420 /nfs/dbraw/zinc/06/94/20/660069420.db2.gz WMEDVKOWGMSLGK-CVEARBPZSA-N 2 0 350.463 -0.530 20 0 FBADRP O=C(NCCC1=CC[NH2+]CC1)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000911312327 660069482 /nfs/dbraw/zinc/06/94/82/660069482.db2.gz WMEDVKOWGMSLGK-HOTGVXAUSA-N 2 0 350.463 -0.530 20 0 FBADRP O=C(NCCC1=CC[NH2+]CC1)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000911312329 660069443 /nfs/dbraw/zinc/06/94/43/660069443.db2.gz WMEDVKOWGMSLGK-HZPDHXFCSA-N 2 0 350.463 -0.530 20 0 FBADRP O=C(NCCC1=CC[NH2+]CC1)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000911312331 660069530 /nfs/dbraw/zinc/06/95/30/660069530.db2.gz WMEDVKOWGMSLGK-JKSUJKDBSA-N 2 0 350.463 -0.530 20 0 FBADRP O=C(NCCC1CC[NH2+]CC1)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000911320680 660069609 /nfs/dbraw/zinc/06/96/09/660069609.db2.gz CLZUBIQFWDYRPT-CVEARBPZSA-N 2 0 352.479 -0.450 20 0 FBADRP O=C(NCCC1CC[NH2+]CC1)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000911320681 660069723 /nfs/dbraw/zinc/06/97/23/660069723.db2.gz CLZUBIQFWDYRPT-HOTGVXAUSA-N 2 0 352.479 -0.450 20 0 FBADRP O=C(NCCC1CC[NH2+]CC1)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000911320682 660069744 /nfs/dbraw/zinc/06/97/44/660069744.db2.gz CLZUBIQFWDYRPT-HZPDHXFCSA-N 2 0 352.479 -0.450 20 0 FBADRP O=C(NCCC1CC[NH2+]CC1)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000911320683 660069710 /nfs/dbraw/zinc/06/97/10/660069710.db2.gz CLZUBIQFWDYRPT-JKSUJKDBSA-N 2 0 352.479 -0.450 20 0 FBADRP C[C@@H](CNC(=O)C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000911324414 660068323 /nfs/dbraw/zinc/06/83/23/660068323.db2.gz CERVENLLTRBSAS-DGADGQDISA-N 2 0 354.495 -0.038 20 0 FBADRP C[C@H](CNC(=O)C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000911324415 660068419 /nfs/dbraw/zinc/06/84/19/660068419.db2.gz CERVENLLTRBSAS-DGXTUMSLSA-N 2 0 354.495 -0.038 20 0 FBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000911324466 660068436 /nfs/dbraw/zinc/06/84/36/660068436.db2.gz DBGZEANRFOKQMN-APIJFGDWSA-N 2 0 356.467 -0.953 20 0 FBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NCCCCCN2CC[NH2+]CC2)C1 ZINC000911325330 660068665 /nfs/dbraw/zinc/06/86/65/660068665.db2.gz RADNVRVIMDDJCL-IYBDPMFKSA-N 2 0 353.511 -0.366 20 0 FBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000911325593 660068632 /nfs/dbraw/zinc/06/86/32/660068632.db2.gz VVCUAMMSZGTISV-BZUAXINKSA-N 2 0 352.479 -0.044 20 0 FBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000911325594 660068576 /nfs/dbraw/zinc/06/85/76/660068576.db2.gz VVCUAMMSZGTISV-OAGGEKHMSA-N 2 0 352.479 -0.044 20 0 FBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000911325595 660068705 /nfs/dbraw/zinc/06/87/05/660068705.db2.gz VVCUAMMSZGTISV-OWCLPIDISA-N 2 0 352.479 -0.044 20 0 FBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000911325596 660068736 /nfs/dbraw/zinc/06/87/36/660068736.db2.gz VVCUAMMSZGTISV-PMPSAXMXSA-N 2 0 352.479 -0.044 20 0 FBADRP [NH3+][C@]1(CO)CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000911326882 660068675 /nfs/dbraw/zinc/06/86/75/660068675.db2.gz AZQNOEXTSKJXMN-KBXCAEBGSA-N 2 0 352.479 -0.178 20 0 FBADRP [NH3+][C@@]1(CO)CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000911326885 660069080 /nfs/dbraw/zinc/06/90/80/660069080.db2.gz AZQNOEXTSKJXMN-KDOFPFPSSA-N 2 0 352.479 -0.178 20 0 FBADRP [NH3+][C@@]1(CO)CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000911326888 660069014 /nfs/dbraw/zinc/06/90/14/660069014.db2.gz AZQNOEXTSKJXMN-KSSFIOAISA-N 2 0 352.479 -0.178 20 0 FBADRP [NH3+][C@]1(CO)CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000911326891 660069025 /nfs/dbraw/zinc/06/90/25/660069025.db2.gz AZQNOEXTSKJXMN-RDTXWAMCSA-N 2 0 352.479 -0.178 20 0 FBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000911328131 660068973 /nfs/dbraw/zinc/06/89/73/660068973.db2.gz DPMIQGMBLLGPOC-GDBMZVCRSA-N 2 0 352.479 -0.044 20 0 FBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000911328132 660069050 /nfs/dbraw/zinc/06/90/50/660069050.db2.gz DPMIQGMBLLGPOC-GOEBONIOSA-N 2 0 352.479 -0.044 20 0 FBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000911328134 660068932 /nfs/dbraw/zinc/06/89/32/660068932.db2.gz DPMIQGMBLLGPOC-HOCLYGCPSA-N 2 0 352.479 -0.044 20 0 FBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000911328136 660068991 /nfs/dbraw/zinc/06/89/91/660068991.db2.gz DPMIQGMBLLGPOC-ZBFHGGJFSA-N 2 0 352.479 -0.044 20 0 FBADRP O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)C(=O)N1CCNCC[NH2+]CC1 ZINC000911328336 660069032 /nfs/dbraw/zinc/06/90/32/660069032.db2.gz GBEXPAFXJZALAR-HNNXBMFYSA-N 2 0 351.495 -0.469 20 0 FBADRP O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)C(=O)N1CCNCC[NH2+]CC1 ZINC000911328339 660068870 /nfs/dbraw/zinc/06/88/70/660068870.db2.gz GBEXPAFXJZALAR-OAHLLOKOSA-N 2 0 351.495 -0.469 20 0 FBADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911333443 660068848 /nfs/dbraw/zinc/06/88/48/660068848.db2.gz SXYIOTOQJQTDCY-HNNXBMFYSA-N 2 0 353.511 -0.238 20 0 FBADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911333444 660068912 /nfs/dbraw/zinc/06/89/12/660068912.db2.gz SXYIOTOQJQTDCY-OAHLLOKOSA-N 2 0 353.511 -0.238 20 0 FBADRP [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000911335839 660069059 /nfs/dbraw/zinc/06/90/59/660069059.db2.gz BEXNSFNCNFIFPY-DDUZABMNSA-N 2 0 350.463 -0.304 20 0 FBADRP [NH3+]C[C@]12CC[C@H]1CCN2C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000911335840 660068985 /nfs/dbraw/zinc/06/89/85/660068985.db2.gz BEXNSFNCNFIFPY-DHSIGJKJSA-N 2 0 350.463 -0.304 20 0 FBADRP [NH3+]C[C@]12CC[C@H]1CCN2C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000911335841 660068892 /nfs/dbraw/zinc/06/88/92/660068892.db2.gz BEXNSFNCNFIFPY-JCKWVBRZSA-N 2 0 350.463 -0.304 20 0 FBADRP [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000911335842 660068957 /nfs/dbraw/zinc/06/89/57/660068957.db2.gz BEXNSFNCNFIFPY-QIIPPGSGSA-N 2 0 350.463 -0.304 20 0 FBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC000911336024 660069154 /nfs/dbraw/zinc/06/91/54/660069154.db2.gz CVSSCPRSIVTTFX-HUUCEWRRSA-N 2 0 352.479 -0.138 20 0 FBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC000911336025 660069245 /nfs/dbraw/zinc/06/92/45/660069245.db2.gz CVSSCPRSIVTTFX-LSDHHAIUSA-N 2 0 352.479 -0.138 20 0 FBADRP C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000911336322 660069273 /nfs/dbraw/zinc/06/92/73/660069273.db2.gz FRFPBYKSZVIYNV-HOTGVXAUSA-N 2 0 352.479 -0.044 20 0 FBADRP C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000911336323 660069218 /nfs/dbraw/zinc/06/92/18/660069218.db2.gz FRFPBYKSZVIYNV-JKSUJKDBSA-N 2 0 352.479 -0.044 20 0 FBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC3(CO[C@H](C[NH3+])C3)CC2)C1 ZINC000911336380 660069225 /nfs/dbraw/zinc/06/92/25/660069225.db2.gz HVQHLFLKFKMPJT-CABCVRRESA-N 2 0 352.479 -0.057 20 0 FBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC3(CO[C@H](C[NH3+])C3)CC2)C1 ZINC000911336381 660069182 /nfs/dbraw/zinc/06/91/82/660069182.db2.gz HVQHLFLKFKMPJT-GJZGRUSLSA-N 2 0 352.479 -0.057 20 0 FBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)C1 ZINC000911336382 660069210 /nfs/dbraw/zinc/06/92/10/660069210.db2.gz HVQHLFLKFKMPJT-HUUCEWRRSA-N 2 0 352.479 -0.057 20 0 FBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)C1 ZINC000911336383 660069265 /nfs/dbraw/zinc/06/92/65/660069265.db2.gz HVQHLFLKFKMPJT-LSDHHAIUSA-N 2 0 352.479 -0.057 20 0 FBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCCCCN2CC[NH2+]CC2)C1 ZINC000911336771 660068881 /nfs/dbraw/zinc/06/88/81/660068881.db2.gz MZCGIOAZVZKGOU-INIZCTEOSA-N 2 0 353.511 -0.221 20 0 FBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCCCCN2CC[NH2+]CC2)C1 ZINC000911336772 660068942 /nfs/dbraw/zinc/06/89/42/660068942.db2.gz MZCGIOAZVZKGOU-MRXNPFEDSA-N 2 0 353.511 -0.221 20 0 FBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH2+]CCC23CCOCC3)C1 ZINC000911337395 660070074 /nfs/dbraw/zinc/07/00/74/660070074.db2.gz SNQMNUKCHXERKI-HNNXBMFYSA-N 2 0 352.479 -0.042 20 0 FBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH2+]CCC23CCOCC3)C1 ZINC000911337396 660070101 /nfs/dbraw/zinc/07/01/01/660070101.db2.gz SNQMNUKCHXERKI-OAHLLOKOSA-N 2 0 352.479 -0.042 20 0 FBADRP O=C(NCC1CC[NH+](CC2CC2)CC1)C(=O)N1CCNCC[NH2+]CC1 ZINC000911338059 660070296 /nfs/dbraw/zinc/07/02/96/660070296.db2.gz FXFBKNVEBMYCEX-UHFFFAOYSA-N 2 0 351.495 -0.754 20 0 FBADRP [NH3+][C@]1(CO)CCCN(C(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)C1 ZINC000911338061 660070291 /nfs/dbraw/zinc/07/02/91/660070291.db2.gz FYAQXWHNPVVTOB-GOSISDBHSA-N 2 0 352.479 -0.463 20 0 FBADRP [NH3+][C@@]1(CO)CCCN(C(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)C1 ZINC000911338063 660070349 /nfs/dbraw/zinc/07/03/49/660070349.db2.gz FYAQXWHNPVVTOB-SFHVURJKSA-N 2 0 352.479 -0.463 20 0 FBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000911339775 660070381 /nfs/dbraw/zinc/07/03/81/660070381.db2.gz YVYSIJBUAHJHJZ-INIZCTEOSA-N 2 0 352.479 -0.329 20 0 FBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000911339776 660070338 /nfs/dbraw/zinc/07/03/38/660070338.db2.gz YVYSIJBUAHJHJZ-MRXNPFEDSA-N 2 0 352.479 -0.329 20 0 FBADRP CC(C)[NH+]1CCC(CCNC(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)CC1 ZINC000911357476 660069900 /nfs/dbraw/zinc/06/99/00/660069900.db2.gz QSSHZSBTBMZIKF-GOSISDBHSA-N 2 0 354.495 -0.075 20 0 FBADRP CC(C)[NH+]1CCC(CCNC(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)CC1 ZINC000911357479 660069962 /nfs/dbraw/zinc/06/99/62/660069962.db2.gz QSSHZSBTBMZIKF-SFHVURJKSA-N 2 0 354.495 -0.075 20 0 FBADRP C[NH+](C)C1(C)CCC(NC(=O)C(=O)NCCN2CCC([NH3+])CC2)CC1 ZINC000911358006 660069877 /nfs/dbraw/zinc/06/98/77/660069877.db2.gz KZMFHEMUQMQTTE-UHFFFAOYSA-N 2 0 353.511 -0.095 20 0 FBADRP CC(C)[NH+]1CCC(CCNC(=O)C(=O)N2CCNCC[NH2+]CC2)CC1 ZINC000911358541 660069830 /nfs/dbraw/zinc/06/98/30/660069830.db2.gz ZWUADBICSPHVNK-UHFFFAOYSA-N 2 0 353.511 -0.366 20 0 FBADRP [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC000911358922 660069963 /nfs/dbraw/zinc/06/99/63/660069963.db2.gz QHWPVPSATZDPOC-FPCVCCKLSA-N 2 0 352.479 -0.322 20 0 FBADRP [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC000911358923 660069839 /nfs/dbraw/zinc/06/98/39/660069839.db2.gz QHWPVPSATZDPOC-KLHDSHLOSA-N 2 0 352.479 -0.322 20 0 FBADRP [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC000911358924 660069851 /nfs/dbraw/zinc/06/98/51/660069851.db2.gz QHWPVPSATZDPOC-VGWMRTNUSA-N 2 0 352.479 -0.322 20 0 FBADRP [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC000911358925 660069955 /nfs/dbraw/zinc/06/99/55/660069955.db2.gz QHWPVPSATZDPOC-YHUYYLMFSA-N 2 0 352.479 -0.322 20 0 FBADRP CCO[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F)C[NH+](C)C ZINC000911366466 660072310 /nfs/dbraw/zinc/07/23/10/660072310.db2.gz GUHODERIROEQBG-NEPJUHHUSA-N 2 0 350.410 -0.570 20 0 FBADRP CCO[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F)C[NH+](C)C ZINC000911366467 660072239 /nfs/dbraw/zinc/07/22/39/660072239.db2.gz GUHODERIROEQBG-NWDGAFQWSA-N 2 0 350.410 -0.570 20 0 FBADRP CCO[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F)C[NH+](C)C ZINC000911366468 660072362 /nfs/dbraw/zinc/07/23/62/660072362.db2.gz GUHODERIROEQBG-RYUDHWBXSA-N 2 0 350.410 -0.570 20 0 FBADRP CCO[C@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F)C[NH+](C)C ZINC000911366470 660072283 /nfs/dbraw/zinc/07/22/83/660072283.db2.gz GUHODERIROEQBG-VXGBXAGGSA-N 2 0 350.410 -0.570 20 0 FBADRP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000911366500 660072278 /nfs/dbraw/zinc/07/22/78/660072278.db2.gz HHQDWXXUUOASGA-HUUCEWRRSA-N 2 0 352.479 -0.186 20 0 FBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000911367873 660072303 /nfs/dbraw/zinc/07/23/03/660072303.db2.gz RWEFWFVSSMROGB-CZUORRHYSA-N 2 0 352.479 -0.282 20 0 FBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000911367927 660072289 /nfs/dbraw/zinc/07/22/89/660072289.db2.gz UNJLINNWSWGYQA-GDBMZVCRSA-N 2 0 352.479 -0.186 20 0 FBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000911369808 660072585 /nfs/dbraw/zinc/07/25/85/660072585.db2.gz DHZNRYCQWJOWSB-FVQBIDKESA-N 2 0 351.495 -0.663 20 0 FBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000911369809 660072530 /nfs/dbraw/zinc/07/25/30/660072530.db2.gz DHZNRYCQWJOWSB-VNQPRFMTSA-N 2 0 351.495 -0.663 20 0 FBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000911369827 660072627 /nfs/dbraw/zinc/07/26/27/660072627.db2.gz DYHDQKMPXURLBH-FPCVCCKLSA-N 2 0 351.495 -0.805 20 0 FBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000911369828 660072526 /nfs/dbraw/zinc/07/25/26/660072526.db2.gz DYHDQKMPXURLBH-KLHDSHLOSA-N 2 0 351.495 -0.805 20 0 FBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000911369829 660072607 /nfs/dbraw/zinc/07/26/07/660072607.db2.gz DYHDQKMPXURLBH-QKPAOTATSA-N 2 0 351.495 -0.805 20 0 FBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000911369830 660072595 /nfs/dbraw/zinc/07/25/95/660072595.db2.gz DYHDQKMPXURLBH-QXSJWSMHSA-N 2 0 351.495 -0.805 20 0 FBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000911374304 660072638 /nfs/dbraw/zinc/07/26/38/660072638.db2.gz QCPKHQVIGKCOOO-GDBMZVCRSA-N 2 0 351.495 -0.804 20 0 FBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000911377599 660072509 /nfs/dbraw/zinc/07/25/09/660072509.db2.gz BORBDQNDRYNGOM-OWCLPIDISA-N 2 0 351.495 -0.804 20 0 FBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000911377600 660072578 /nfs/dbraw/zinc/07/25/78/660072578.db2.gz BORBDQNDRYNGOM-PMPSAXMXSA-N 2 0 351.495 -0.804 20 0 FBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000911378311 660070848 /nfs/dbraw/zinc/07/08/48/660070848.db2.gz OIPHVELIAHSGBI-PMPSAXMXSA-N 2 0 352.479 -0.471 20 0 FBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000911378767 660070967 /nfs/dbraw/zinc/07/09/67/660070967.db2.gz IMQUANIVGSAONW-ILXRZTDVSA-N 2 0 352.479 -0.330 20 0 FBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000911378768 660071004 /nfs/dbraw/zinc/07/10/04/660071004.db2.gz IMQUANIVGSAONW-KFWWJZLASA-N 2 0 352.479 -0.330 20 0 FBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000911378815 660070975 /nfs/dbraw/zinc/07/09/75/660070975.db2.gz VFZSOAYJPUHGGS-ZBFHGGJFSA-N 2 0 352.479 -0.471 20 0 FBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000911379702 660071199 /nfs/dbraw/zinc/07/11/99/660071199.db2.gz GTLZKAUNGJEKTL-OWCLPIDISA-N 2 0 354.495 -0.083 20 0 FBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000911379703 660071252 /nfs/dbraw/zinc/07/12/52/660071252.db2.gz GTLZKAUNGJEKTL-PMPSAXMXSA-N 2 0 354.495 -0.083 20 0 FBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000911380663 660071371 /nfs/dbraw/zinc/07/13/71/660071371.db2.gz PESWBDAGSZEARA-CABCVRRESA-N 2 0 354.495 -0.083 20 0 FBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000911380763 660071383 /nfs/dbraw/zinc/07/13/83/660071383.db2.gz RCRDKTXNXNEUPZ-ZBFHGGJFSA-N 2 0 352.479 -0.471 20 0 FBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000911381734 660071699 /nfs/dbraw/zinc/07/16/99/660071699.db2.gz BRDDAGUVKQTELE-QKPAOTATSA-N 3 0 353.511 -0.844 20 0 FBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000911382224 660071604 /nfs/dbraw/zinc/07/16/04/660071604.db2.gz HKWBLLDSCGEQGD-CABCVRRESA-N 2 0 353.511 -0.558 20 0 FBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000911382741 660071593 /nfs/dbraw/zinc/07/15/93/660071593.db2.gz OIPHVELIAHSGBI-OAGGEKHMSA-N 2 0 352.479 -0.471 20 0 FBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000911383597 660071615 /nfs/dbraw/zinc/07/16/15/660071615.db2.gz CVEAFLWLGUWZSD-CABCVRRESA-N 2 0 352.479 -0.186 20 0 FBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000911383599 660071578 /nfs/dbraw/zinc/07/15/78/660071578.db2.gz CVEAFLWLGUWZSD-GJZGRUSLSA-N 2 0 352.479 -0.186 20 0 FBADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000911383600 660071626 /nfs/dbraw/zinc/07/16/26/660071626.db2.gz CVEAFLWLGUWZSD-HUUCEWRRSA-N 2 0 352.479 -0.186 20 0 FBADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000911383601 660071683 /nfs/dbraw/zinc/07/16/83/660071683.db2.gz CVEAFLWLGUWZSD-LSDHHAIUSA-N 2 0 352.479 -0.186 20 0 FBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000911383806 660071536 /nfs/dbraw/zinc/07/15/36/660071536.db2.gz ULDSDRKGUWRXSS-CABCVRRESA-N 2 0 352.479 -0.329 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000911385840 660071785 /nfs/dbraw/zinc/07/17/85/660071785.db2.gz LODLYCLMICZRDZ-CABCVRRESA-N 2 0 352.479 -0.138 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000911385841 660071875 /nfs/dbraw/zinc/07/18/75/660071875.db2.gz LODLYCLMICZRDZ-GJZGRUSLSA-N 2 0 352.479 -0.138 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000911385842 660071900 /nfs/dbraw/zinc/07/19/00/660071900.db2.gz LODLYCLMICZRDZ-HUUCEWRRSA-N 2 0 352.479 -0.138 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000911385843 660071830 /nfs/dbraw/zinc/07/18/30/660071830.db2.gz LODLYCLMICZRDZ-LSDHHAIUSA-N 2 0 352.479 -0.138 20 0 FBADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC000911386558 660072130 /nfs/dbraw/zinc/07/21/30/660072130.db2.gz PHZLRSAICHKDFA-CABCVRRESA-N 2 0 352.479 -0.186 20 0 FBADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC000911386559 660072015 /nfs/dbraw/zinc/07/20/15/660072015.db2.gz PHZLRSAICHKDFA-GJZGRUSLSA-N 2 0 352.479 -0.186 20 0 FBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC000911386560 660072132 /nfs/dbraw/zinc/07/21/32/660072132.db2.gz PHZLRSAICHKDFA-HUUCEWRRSA-N 2 0 352.479 -0.186 20 0 FBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC000911386561 660072026 /nfs/dbraw/zinc/07/20/26/660072026.db2.gz PHZLRSAICHKDFA-LSDHHAIUSA-N 2 0 352.479 -0.186 20 0 FBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000911389007 660072115 /nfs/dbraw/zinc/07/21/15/660072115.db2.gz ZWHLZZQQNLDBPV-AWEZNQCLSA-N 2 0 352.479 -0.186 20 0 FBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000911389009 660072160 /nfs/dbraw/zinc/07/21/60/660072160.db2.gz ZWHLZZQQNLDBPV-CQSZACIVSA-N 2 0 352.479 -0.186 20 0 FBADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000911389088 660072066 /nfs/dbraw/zinc/07/20/66/660072066.db2.gz QGCRRNQAKDKYMX-BZUAXINKSA-N 2 0 354.495 -0.083 20 0 FBADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000911389089 660072181 /nfs/dbraw/zinc/07/21/81/660072181.db2.gz QGCRRNQAKDKYMX-OAGGEKHMSA-N 2 0 354.495 -0.083 20 0 FBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)CC1 ZINC000911389238 660072153 /nfs/dbraw/zinc/07/21/53/660072153.db2.gz CRMCISXKTHTZCB-HNNXBMFYSA-N 2 0 352.479 -0.185 20 0 FBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)CC1 ZINC000911389239 660072083 /nfs/dbraw/zinc/07/20/83/660072083.db2.gz CRMCISXKTHTZCB-OAHLLOKOSA-N 2 0 352.479 -0.185 20 0 FBADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000911393088 660073317 /nfs/dbraw/zinc/07/33/17/660073317.db2.gz VACYXANSDRTWNN-FPCVCCKLSA-N 2 0 352.479 -0.594 20 0 FBADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000911393090 660073384 /nfs/dbraw/zinc/07/33/84/660073384.db2.gz VACYXANSDRTWNN-KLHDSHLOSA-N 2 0 352.479 -0.594 20 0 FBADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000911393092 660073333 /nfs/dbraw/zinc/07/33/33/660073333.db2.gz VACYXANSDRTWNN-LVQVYYBASA-N 2 0 352.479 -0.594 20 0 FBADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000911393094 660073429 /nfs/dbraw/zinc/07/34/29/660073429.db2.gz VACYXANSDRTWNN-WCVJEAGWSA-N 2 0 352.479 -0.594 20 0 FBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000911393908 660073361 /nfs/dbraw/zinc/07/33/61/660073361.db2.gz ZUNCXNSELWDHPD-HNNXBMFYSA-N 2 0 352.479 -0.185 20 0 FBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000911393909 660073403 /nfs/dbraw/zinc/07/34/03/660073403.db2.gz ZUNCXNSELWDHPD-OAHLLOKOSA-N 2 0 352.479 -0.185 20 0 FBADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000911394988 660073590 /nfs/dbraw/zinc/07/35/90/660073590.db2.gz IRNJHYJIGDEAKK-BZUAXINKSA-N 2 0 354.495 -0.083 20 0 FBADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000911394989 660073538 /nfs/dbraw/zinc/07/35/38/660073538.db2.gz IRNJHYJIGDEAKK-OAGGEKHMSA-N 2 0 354.495 -0.083 20 0 FBADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000911394992 660073643 /nfs/dbraw/zinc/07/36/43/660073643.db2.gz IWZICHGODJBSHD-FXUDXRNXSA-N 2 0 354.495 -0.036 20 0 FBADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000911394993 660073576 /nfs/dbraw/zinc/07/35/76/660073576.db2.gz IWZICHGODJBSHD-KLHDSHLOSA-N 2 0 354.495 -0.036 20 0 FBADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000911394994 660073565 /nfs/dbraw/zinc/07/35/65/660073565.db2.gz IWZICHGODJBSHD-LVQVYYBASA-N 2 0 354.495 -0.036 20 0 FBADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000911399908 660073495 /nfs/dbraw/zinc/07/34/95/660073495.db2.gz FWABBWNECIRIFH-HUUCEWRRSA-N 2 0 354.495 -0.083 20 0 FBADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000911399946 660073629 /nfs/dbraw/zinc/07/36/29/660073629.db2.gz GHYVAVJTZGUHQR-HUUCEWRRSA-N 2 0 354.495 -0.347 20 0 FBADRP [NH3+]C1CCN(CCNC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000911410428 660073979 /nfs/dbraw/zinc/07/39/79/660073979.db2.gz ALDMESSWFFXLIB-HNNXBMFYSA-N 2 0 351.495 -0.530 20 0 FBADRP [NH3+]C1CCN(CCNC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000911410429 660073939 /nfs/dbraw/zinc/07/39/39/660073939.db2.gz ALDMESSWFFXLIB-OAHLLOKOSA-N 2 0 351.495 -0.530 20 0 FBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCCN3CCC([NH3+])CC3)CC[C@H]21 ZINC000911410847 660074211 /nfs/dbraw/zinc/07/42/11/660074211.db2.gz BFTLOVQDLOIQRG-GDBMZVCRSA-N 2 0 351.495 -0.532 20 0 FBADRP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)NCCN3CCC([NH3+])CC3)CC[C@H]21 ZINC000911410848 660074265 /nfs/dbraw/zinc/07/42/65/660074265.db2.gz BFTLOVQDLOIQRG-GOEBONIOSA-N 2 0 351.495 -0.532 20 0 FBADRP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)NCCN3CCC([NH3+])CC3)CC[C@@H]21 ZINC000911410849 660074127 /nfs/dbraw/zinc/07/41/27/660074127.db2.gz BFTLOVQDLOIQRG-HOCLYGCPSA-N 2 0 351.495 -0.532 20 0 FBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCCN3CCC([NH3+])CC3)CC[C@@H]21 ZINC000911410850 660074148 /nfs/dbraw/zinc/07/41/48/660074148.db2.gz BFTLOVQDLOIQRG-ZBFHGGJFSA-N 2 0 351.495 -0.532 20 0 FBADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCN2CCC([NH3+])CC2)[C@H](C)C1 ZINC000911410870 660074280 /nfs/dbraw/zinc/07/42/80/660074280.db2.gz CEOOPCADNRZOGO-GDBMZVCRSA-N 2 0 353.511 -0.286 20 0 FBADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCN2CCC([NH3+])CC2)[C@@H](C)C1 ZINC000911410871 660074139 /nfs/dbraw/zinc/07/41/39/660074139.db2.gz CEOOPCADNRZOGO-GOEBONIOSA-N 2 0 353.511 -0.286 20 0 FBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCCN2CCC([NH3+])CC2)[C@@H](C)C1 ZINC000911410872 660074179 /nfs/dbraw/zinc/07/41/79/660074179.db2.gz CEOOPCADNRZOGO-HOCLYGCPSA-N 2 0 353.511 -0.286 20 0 FBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCCN2CCC([NH3+])CC2)[C@H](C)C1 ZINC000911410873 660074318 /nfs/dbraw/zinc/07/43/18/660074318.db2.gz CEOOPCADNRZOGO-ZBFHGGJFSA-N 2 0 353.511 -0.286 20 0 FBADRP CCC1([NH+](C)C)CCN(C(=O)C(=O)NCCN2CCC([NH3+])CC2)CC1 ZINC000911410903 660074315 /nfs/dbraw/zinc/07/43/15/660074315.db2.gz GGYBNDOSQOXALW-UHFFFAOYSA-N 2 0 353.511 -0.142 20 0 FBADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911411035 660074290 /nfs/dbraw/zinc/07/42/90/660074290.db2.gz DRGFODPHFQTBCL-AWEZNQCLSA-N 2 0 353.511 -0.286 20 0 FBADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911411036 660074232 /nfs/dbraw/zinc/07/42/32/660074232.db2.gz DRGFODPHFQTBCL-CQSZACIVSA-N 2 0 353.511 -0.286 20 0 FBADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCCN2CCC([NH3+])CC2)C1 ZINC000911411075 660074117 /nfs/dbraw/zinc/07/41/17/660074117.db2.gz FNABOAJPXHFUPU-HNNXBMFYSA-N 2 0 353.511 -0.380 20 0 FBADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NCCN2CCC([NH3+])CC2)C1 ZINC000911411076 660074173 /nfs/dbraw/zinc/07/41/73/660074173.db2.gz FNABOAJPXHFUPU-OAHLLOKOSA-N 2 0 353.511 -0.380 20 0 FBADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911411165 660074191 /nfs/dbraw/zinc/07/41/91/660074191.db2.gz KUCCBRMIRKEGFG-INIZCTEOSA-N 2 0 353.511 -0.142 20 0 FBADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911411166 660074156 /nfs/dbraw/zinc/07/41/56/660074156.db2.gz KUCCBRMIRKEGFG-MRXNPFEDSA-N 2 0 353.511 -0.142 20 0 FBADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCCN2CCC([NH3+])CC2)CC1 ZINC000911411528 660074196 /nfs/dbraw/zinc/07/41/96/660074196.db2.gz PPWARQNGLOBNRH-UHFFFAOYSA-N 2 0 353.511 -0.142 20 0 FBADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911412045 660074387 /nfs/dbraw/zinc/07/43/87/660074387.db2.gz WVXKWFOQJAVFKR-UHFFFAOYSA-N 2 0 353.511 -0.140 20 0 FBADRP C[NH+](C)CCC1CCN(C(=O)C(=O)NCCN2CCC([NH3+])CC2)CC1 ZINC000911412203 660074426 /nfs/dbraw/zinc/07/44/26/660074426.db2.gz KKPGPYSUJVTXTE-UHFFFAOYSA-N 2 0 353.511 -0.284 20 0 FBADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCCN2CCC([NH3+])CC2)C1 ZINC000911412325 660074402 /nfs/dbraw/zinc/07/44/02/660074402.db2.gz LTTLKVNGQCODGL-HNNXBMFYSA-N 2 0 353.511 -0.284 20 0 FBADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCCN2CCC([NH3+])CC2)C1 ZINC000911412327 660074457 /nfs/dbraw/zinc/07/44/57/660074457.db2.gz LTTLKVNGQCODGL-OAHLLOKOSA-N 2 0 353.511 -0.284 20 0 FBADRP C[NH+]1CCC2(CCCN2C(=O)C(=O)NCCN2CCC([NH3+])CC2)CC1 ZINC000911412334 660074440 /nfs/dbraw/zinc/07/44/40/660074440.db2.gz LVOLIEIPVGMZET-UHFFFAOYSA-N 2 0 351.495 -0.388 20 0 FBADRP [NH3+]C1CCN(CCNC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)CC1 ZINC000911412525 660074519 /nfs/dbraw/zinc/07/45/19/660074519.db2.gz NKWMKHLWLPQURK-INIZCTEOSA-N 2 0 351.495 -0.388 20 0 FBADRP [NH3+]C1CCN(CCNC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CC1 ZINC000911412526 660074486 /nfs/dbraw/zinc/07/44/86/660074486.db2.gz NKWMKHLWLPQURK-MRXNPFEDSA-N 2 0 351.495 -0.388 20 0 FBADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911412623 660074344 /nfs/dbraw/zinc/07/43/44/660074344.db2.gz ONSCXIBZPPOAHA-CVEARBPZSA-N 2 0 351.495 -0.389 20 0 FBADRP [NH3+]C1CCN(CCNC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CC1 ZINC000911413365 660074493 /nfs/dbraw/zinc/07/44/93/660074493.db2.gz FGBYFLPMNHPWGW-INIZCTEOSA-N 2 0 351.495 -0.388 20 0 FBADRP [NH3+]C1CCN(CCNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CC1 ZINC000911413366 660074534 /nfs/dbraw/zinc/07/45/34/660074534.db2.gz FGBYFLPMNHPWGW-MRXNPFEDSA-N 2 0 351.495 -0.388 20 0 FBADRP [NH3+]C1CCN(CCNC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)CC1 ZINC000911413407 660074477 /nfs/dbraw/zinc/07/44/77/660074477.db2.gz GIMIYSZMYGSHRL-UHFFFAOYSA-N 2 0 351.495 -0.388 20 0 FBADRP CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)NCCN2CCC([NH3+])CC2)CC1 ZINC000911413528 660074664 /nfs/dbraw/zinc/07/46/64/660074664.db2.gz UKXASISSFURPQW-UHFFFAOYSA-N 2 0 353.511 -0.142 20 0 FBADRP C[C@@H](CNC(=O)C(=O)NCCN1CCC([NH3+])CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000911413763 660074687 /nfs/dbraw/zinc/07/46/87/660074687.db2.gz IXDKEDKOHOVZLK-CABCVRRESA-N 2 0 353.511 -0.238 20 0 FBADRP C[C@@H](CNC(=O)C(=O)NCCN1CCC([NH3+])CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000911413765 660074793 /nfs/dbraw/zinc/07/47/93/660074793.db2.gz IXDKEDKOHOVZLK-GJZGRUSLSA-N 2 0 353.511 -0.238 20 0 FBADRP C[C@H](CNC(=O)C(=O)NCCN1CCC([NH3+])CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000911413766 660074822 /nfs/dbraw/zinc/07/48/22/660074822.db2.gz IXDKEDKOHOVZLK-HUUCEWRRSA-N 2 0 353.511 -0.238 20 0 FBADRP C[C@H](CNC(=O)C(=O)NCCN1CCC([NH3+])CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000911413768 660074785 /nfs/dbraw/zinc/07/47/85/660074785.db2.gz IXDKEDKOHOVZLK-LSDHHAIUSA-N 2 0 353.511 -0.238 20 0 FBADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCN2CCC([NH3+])CC2)C[C@H]1C ZINC000911413932 660074820 /nfs/dbraw/zinc/07/48/20/660074820.db2.gz WSWSWBFIXDPBPC-GDBMZVCRSA-N 2 0 353.511 -0.143 20 0 FBADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCN2CCC([NH3+])CC2)C[C@@H]1C ZINC000911413933 660074740 /nfs/dbraw/zinc/07/47/40/660074740.db2.gz WSWSWBFIXDPBPC-GOEBONIOSA-N 2 0 353.511 -0.143 20 0 FBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCCN2CCC([NH3+])CC2)C[C@@H]1C ZINC000911413934 660074749 /nfs/dbraw/zinc/07/47/49/660074749.db2.gz WSWSWBFIXDPBPC-HOCLYGCPSA-N 2 0 353.511 -0.143 20 0 FBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCCN2CCC([NH3+])CC2)C[C@H]1C ZINC000911413935 660074817 /nfs/dbraw/zinc/07/48/17/660074817.db2.gz WSWSWBFIXDPBPC-ZBFHGGJFSA-N 2 0 353.511 -0.143 20 0 FBADRP [NH3+]C1CCN(CCNC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000911414063 660074811 /nfs/dbraw/zinc/07/48/11/660074811.db2.gz KTEIGRLECLEGKZ-INIZCTEOSA-N 2 0 351.495 -0.388 20 0 FBADRP [NH3+]C1CCN(CCNC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000911414066 660074646 /nfs/dbraw/zinc/07/46/46/660074646.db2.gz KTEIGRLECLEGKZ-MRXNPFEDSA-N 2 0 351.495 -0.388 20 0 FBADRP C[C@@H](CNC(=O)C(=O)NCCN1CCC([NH3+])CC1)C[NH+]1CCCCC1 ZINC000911414225 660074825 /nfs/dbraw/zinc/07/48/25/660074825.db2.gz MWCSDDZZSVRTEJ-HNNXBMFYSA-N 2 0 353.511 -0.236 20 0 FBADRP C[C@H](CNC(=O)C(=O)NCCN1CCC([NH3+])CC1)C[NH+]1CCCCC1 ZINC000911414406 660074782 /nfs/dbraw/zinc/07/47/82/660074782.db2.gz MWCSDDZZSVRTEJ-OAHLLOKOSA-N 2 0 353.511 -0.236 20 0 FBADRP CCC[NH+]1CCC(N(C)C(=O)C(=O)NCCN2CCC([NH3+])CC2)CC1 ZINC000911415110 660072698 /nfs/dbraw/zinc/07/26/98/660072698.db2.gz SSQVBRYECNAFRG-UHFFFAOYSA-N 2 0 353.511 -0.142 20 0 FBADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NCCN2CCC([NH3+])CC2)C1 ZINC000911415262 660072823 /nfs/dbraw/zinc/07/28/23/660072823.db2.gz UQWONMWXYPEGJG-GDBMZVCRSA-N 2 0 351.495 -0.532 20 0 FBADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NCCN2CCC([NH3+])CC2)C1 ZINC000911415263 660072756 /nfs/dbraw/zinc/07/27/56/660072756.db2.gz UQWONMWXYPEGJG-GOEBONIOSA-N 2 0 351.495 -0.532 20 0 FBADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NCCN2CCC([NH3+])CC2)C1 ZINC000911415264 660072689 /nfs/dbraw/zinc/07/26/89/660072689.db2.gz UQWONMWXYPEGJG-HOCLYGCPSA-N 2 0 351.495 -0.532 20 0 FBADRP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NCCN2CCC([NH3+])CC2)C1 ZINC000911415265 660072886 /nfs/dbraw/zinc/07/28/86/660072886.db2.gz UQWONMWXYPEGJG-ZBFHGGJFSA-N 2 0 351.495 -0.532 20 0 FBADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN3CCSC[C@H]23)CCCO1 ZINC000911418651 660073040 /nfs/dbraw/zinc/07/30/40/660073040.db2.gz IVNBGUDIDXZUQT-HZSPNIEDSA-N 2 0 356.492 -0.741 20 0 FBADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN3CCSC[C@@H]23)CCCO1 ZINC000911418652 660072994 /nfs/dbraw/zinc/07/29/94/660072994.db2.gz IVNBGUDIDXZUQT-MCIONIFRSA-N 2 0 356.492 -0.741 20 0 FBADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN3CCSC[C@H]23)CCCO1 ZINC000911418653 660073084 /nfs/dbraw/zinc/07/30/84/660073084.db2.gz IVNBGUDIDXZUQT-MGPQQGTHSA-N 2 0 356.492 -0.741 20 0 FBADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN3CCSC[C@@H]23)CCCO1 ZINC000911418654 660073093 /nfs/dbraw/zinc/07/30/93/660073093.db2.gz IVNBGUDIDXZUQT-RDBSUJKOSA-N 2 0 356.492 -0.741 20 0 FBADRP CCO[C@H](CNC(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1)C[NH+](C)C ZINC000911433656 660074907 /nfs/dbraw/zinc/07/49/07/660074907.db2.gz CSWNQMMJGBRPQB-GMTAPVOTSA-N 2 0 354.373 -0.583 20 0 FBADRP CCO[C@@H](CNC(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1)C[NH+](C)C ZINC000911433667 660074957 /nfs/dbraw/zinc/07/49/57/660074957.db2.gz CSWNQMMJGBRPQB-HBNTYKKESA-N 2 0 354.373 -0.583 20 0 FBADRP CCO[C@H](CNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1)C[NH+](C)C ZINC000911435510 660075200 /nfs/dbraw/zinc/07/52/00/660075200.db2.gz NDEWNFPQHLPTQP-GRYCIOLGSA-N 2 0 368.400 -0.193 20 0 FBADRP CCO[C@H](CNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1)C[NH+](C)C ZINC000911435511 660075282 /nfs/dbraw/zinc/07/52/82/660075282.db2.gz NDEWNFPQHLPTQP-IJLUTSLNSA-N 2 0 368.400 -0.193 20 0 FBADRP CCO[C@H](CNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1)C[NH+](C)C ZINC000911435513 660075168 /nfs/dbraw/zinc/07/51/68/660075168.db2.gz NDEWNFPQHLPTQP-UTUOFQBUSA-N 2 0 368.400 -0.193 20 0 FBADRP CCO[C@H](CNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1)C[NH+](C)C ZINC000911435517 660075220 /nfs/dbraw/zinc/07/52/20/660075220.db2.gz NDEWNFPQHLPTQP-WOPDTQHZSA-N 2 0 368.400 -0.193 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCCCCCN1CC[NH2+]CC1 ZINC000911435976 660075188 /nfs/dbraw/zinc/07/51/88/660075188.db2.gz JFDWIPGPUFMGLU-INIZCTEOSA-N 2 0 353.511 -0.221 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCCCCN1CC[NH2+]CC1 ZINC000911435978 660075194 /nfs/dbraw/zinc/07/51/94/660075194.db2.gz JFDWIPGPUFMGLU-MRXNPFEDSA-N 2 0 353.511 -0.221 20 0 FBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NCCCCCN1CC[NH2+]CC1 ZINC000911436312 660075558 /nfs/dbraw/zinc/07/55/58/660075558.db2.gz MXEAOZIQKXWVOF-INIZCTEOSA-N 2 0 353.511 -0.269 20 0 FBADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NCCCCCN1CC[NH2+]CC1 ZINC000911436313 660075443 /nfs/dbraw/zinc/07/54/43/660075443.db2.gz MXEAOZIQKXWVOF-MRXNPFEDSA-N 2 0 353.511 -0.269 20 0 FBADRP CCO[C@H](CNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1)C[NH+](C)C ZINC000911436497 660075517 /nfs/dbraw/zinc/07/55/17/660075517.db2.gz UDPJMNRATHAKQL-IJLUTSLNSA-N 2 0 368.400 -0.335 20 0 FBADRP CCO[C@H](CNC(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1)C[NH+](C)C ZINC000911436498 660075456 /nfs/dbraw/zinc/07/54/56/660075456.db2.gz UDPJMNRATHAKQL-QJPTWQEYSA-N 2 0 368.400 -0.335 20 0 FBADRP CCO[C@H](CNC(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)C[NH+](C)C ZINC000911436499 660075555 /nfs/dbraw/zinc/07/55/55/660075555.db2.gz UDPJMNRATHAKQL-TUAOUCFPSA-N 2 0 368.400 -0.335 20 0 FBADRP CCO[C@H](CNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1)C[NH+](C)C ZINC000911436500 660075552 /nfs/dbraw/zinc/07/55/52/660075552.db2.gz UDPJMNRATHAKQL-UTUOFQBUSA-N 2 0 368.400 -0.335 20 0 FBADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NCCCCCN2CC[NH2+]CC2)C1 ZINC000911437761 660075460 /nfs/dbraw/zinc/07/54/60/660075460.db2.gz YBQAIOKEBVRKMW-INIZCTEOSA-N 2 0 353.511 -0.269 20 0 FBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NCCCCCN2CC[NH2+]CC2)C1 ZINC000911437763 660075507 /nfs/dbraw/zinc/07/55/07/660075507.db2.gz YBQAIOKEBVRKMW-MRXNPFEDSA-N 2 0 353.511 -0.269 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000911444073 660075672 /nfs/dbraw/zinc/07/56/72/660075672.db2.gz YAMFFLXICDVNKE-CRAIPNDOSA-N 3 0 353.511 -0.413 20 0 FBADRP CC[N@@H+]1CCCN(C(=O)C(=O)NCCCCCN2CC[NH2+]CC2)CC1 ZINC000911450317 660076105 /nfs/dbraw/zinc/07/61/05/660076105.db2.gz ROXHNJASTSWUTB-UHFFFAOYSA-N 2 0 353.511 -0.268 20 0 FBADRP CN1CCN(C(=O)C(=O)NC2CCC(C)([NH+]3CCC3)CC2)[C@@H](C[NH3+])C1 ZINC000911453367 660077121 /nfs/dbraw/zinc/07/71/21/660077121.db2.gz BGUCKGSAURIBMC-CSLYMUCUSA-N 2 0 351.495 -0.389 20 0 FBADRP CN1CCN(C(=O)C(=O)NC2CCC(C)([NH+]3CCC3)CC2)[C@H](C[NH3+])C1 ZINC000911453372 660077224 /nfs/dbraw/zinc/07/72/24/660077224.db2.gz BGUCKGSAURIBMC-SWKXRBFHSA-N 2 0 351.495 -0.389 20 0 FBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC1CCC(C)([NH+]2CCC2)CC1 ZINC000911453521 660077241 /nfs/dbraw/zinc/07/72/41/660077241.db2.gz CDHJDMUKEUOPNR-CSLYMUCUSA-N 2 0 352.479 -0.044 20 0 FBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC1CCC(C)([NH+]2CCC2)CC1 ZINC000911453523 660077152 /nfs/dbraw/zinc/07/71/52/660077152.db2.gz CDHJDMUKEUOPNR-SWKXRBFHSA-N 2 0 352.479 -0.044 20 0 FBADRP CC1([NH+]2CCC2)CCC(NC(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)CC1 ZINC000911454496 660077397 /nfs/dbraw/zinc/07/73/97/660077397.db2.gz HGLNHCFRUGUAPA-IUPXNIOVSA-N 2 0 352.479 -0.178 20 0 FBADRP CC1([NH+]2CCC2)CCC(NC(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)CC1 ZINC000911454497 660077439 /nfs/dbraw/zinc/07/74/39/660077439.db2.gz HGLNHCFRUGUAPA-UYJHFMRCSA-N 2 0 352.479 -0.178 20 0 FBADRP CC1([NH+]2CCC2)CCC(NC(=O)C(=O)N2CCNCC[NH2+]CC2)CC1 ZINC000911456411 660077386 /nfs/dbraw/zinc/07/73/86/660077386.db2.gz QHSYQAGWXKEUQW-UHFFFAOYSA-N 2 0 351.495 -0.469 20 0 FBADRP [NH3+][C@@H]1CC[C@H](CNC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000911484234 660077860 /nfs/dbraw/zinc/07/78/60/660077860.db2.gz GBEMPHFANYDLOT-JKSUJKDBSA-N 2 0 352.479 -0.199 20 0 FBADRP [NH3+][C@@H]1CC[C@H](CNC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)C1 ZINC000911486693 660077820 /nfs/dbraw/zinc/07/78/20/660077820.db2.gz QQHRTTRERWDXGX-JKSUJKDBSA-N 2 0 352.479 -0.199 20 0 FBADRP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000911489525 660078003 /nfs/dbraw/zinc/07/80/03/660078003.db2.gz OVSVKQPQWFGNJZ-CABCVRRESA-N 2 0 352.479 -0.057 20 0 FBADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000911491000 660078046 /nfs/dbraw/zinc/07/80/46/660078046.db2.gz WKWKDLLFJJOVDO-CABCVRRESA-N 2 0 353.511 -0.286 20 0 FBADRP [NH3+][C@@H]1CC[C@H](CNC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000911491339 660078143 /nfs/dbraw/zinc/07/81/43/660078143.db2.gz XBCFDXGVFDVSAI-ARFHVFGLSA-N 2 0 352.479 -0.199 20 0 FBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NC[C@@H]3CC[C@H]([NH3+])C3)CC2)C1 ZINC000911492140 660078101 /nfs/dbraw/zinc/07/81/01/660078101.db2.gz AOWMOFPHGLDNSN-OWCLPIDISA-N 2 0 351.495 -0.532 20 0 FBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NC[C@@H]3CC[C@H]([NH3+])C3)CC2)C1 ZINC000911492142 660078084 /nfs/dbraw/zinc/07/80/84/660078084.db2.gz AOWMOFPHGLDNSN-PMPSAXMXSA-N 2 0 351.495 -0.532 20 0 FBADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000911493743 660078041 /nfs/dbraw/zinc/07/80/41/660078041.db2.gz NNVQYYBPDULGMO-KFWWJZLASA-N 2 0 352.479 -0.058 20 0 FBADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000911493744 660078061 /nfs/dbraw/zinc/07/80/61/660078061.db2.gz NNVQYYBPDULGMO-ZNMIVQPWSA-N 2 0 352.479 -0.058 20 0 FBADRP [NH3+][C@@H]1CC[C@H](CNC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000911495871 660078169 /nfs/dbraw/zinc/07/81/69/660078169.db2.gz XBCFDXGVFDVSAI-HRCADAONSA-N 2 0 352.479 -0.199 20 0 FBADRP CN1CCC(CNC(=O)C(=O)NCC2([NH3+])CC2)([NH+]2CCCCC2)CC1 ZINC000911503181 660078127 /nfs/dbraw/zinc/07/81/27/660078127.db2.gz MMCSVPAJSOUUDH-UHFFFAOYSA-N 2 0 351.495 -0.340 20 0 FBADRP [NH3+]C1(CNC(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)CC1 ZINC000911503944 660078209 /nfs/dbraw/zinc/07/82/09/660078209.db2.gz REHFPRLJGKYXEO-UHFFFAOYSA-N 2 0 352.479 -0.055 20 0 FBADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)NCC2([NH3+])CC2)CC1 ZINC000911504238 660077978 /nfs/dbraw/zinc/07/79/78/660077978.db2.gz VWRCNIQZMBTFGF-GASCZTMLSA-N 2 0 351.495 -0.389 20 0 FBADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)NCC2([NH3+])CC2)CC1 ZINC000911504239 660078105 /nfs/dbraw/zinc/07/81/05/660078105.db2.gz VWRCNIQZMBTFGF-GJZGRUSLSA-N 2 0 351.495 -0.389 20 0 FBADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)NCC2([NH3+])CC2)CC1 ZINC000911504240 660078205 /nfs/dbraw/zinc/07/82/05/660078205.db2.gz VWRCNIQZMBTFGF-HUUCEWRRSA-N 2 0 351.495 -0.389 20 0 FBADRP CN1CC[NH+](CC2(C)CCN(C(=O)C(=O)NCC3([NH3+])CC3)CC2)CC1 ZINC000911505328 660078444 /nfs/dbraw/zinc/07/84/44/660078444.db2.gz SODRQPURGGEEEA-UHFFFAOYSA-N 2 0 351.495 -0.530 20 0 FBADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)NCC3([NH3+])CC3)CC2)CC1 ZINC000911505368 660078414 /nfs/dbraw/zinc/07/84/14/660078414.db2.gz BLVXJRIHSZAIHX-UHFFFAOYSA-N 2 0 351.495 -0.389 20 0 FBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N[C@H]3C[NH2+]CC3(C)C)CC2)C1 ZINC000911518889 660078765 /nfs/dbraw/zinc/07/87/65/660078765.db2.gz BVGQNRXFLJSOJB-CABCVRRESA-N 2 0 351.495 -0.661 20 0 FBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@H]3C[NH2+]CC3(C)C)CC2)C1 ZINC000911518890 660078751 /nfs/dbraw/zinc/07/87/51/660078751.db2.gz BVGQNRXFLJSOJB-GJZGRUSLSA-N 2 0 351.495 -0.661 20 0 FBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N[C@@H]3C[NH2+]CC3(C)C)CC2)C1 ZINC000911518891 660078679 /nfs/dbraw/zinc/07/86/79/660078679.db2.gz BVGQNRXFLJSOJB-HUUCEWRRSA-N 2 0 351.495 -0.661 20 0 FBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@@H]3C[NH2+]CC3(C)C)CC2)C1 ZINC000911518892 660078633 /nfs/dbraw/zinc/07/86/33/660078633.db2.gz BVGQNRXFLJSOJB-LSDHHAIUSA-N 2 0 351.495 -0.661 20 0 FBADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911520362 660078653 /nfs/dbraw/zinc/07/86/53/660078653.db2.gz OVQYJHIELGKGGB-DZGCQCFKSA-N 2 0 352.479 -0.188 20 0 FBADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000911520363 660078699 /nfs/dbraw/zinc/07/86/99/660078699.db2.gz OVQYJHIELGKGGB-HIFRSBDPSA-N 2 0 352.479 -0.188 20 0 FBADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911520364 660078721 /nfs/dbraw/zinc/07/87/21/660078721.db2.gz OVQYJHIELGKGGB-UKRRQHHQSA-N 2 0 352.479 -0.188 20 0 FBADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000911520365 660078988 /nfs/dbraw/zinc/07/89/88/660078988.db2.gz OVQYJHIELGKGGB-ZFWWWQNUSA-N 2 0 352.479 -0.188 20 0 FBADRP CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000911520681 660078919 /nfs/dbraw/zinc/07/89/19/660078919.db2.gz JSBNFUBNKBTUKY-HNNXBMFYSA-N 2 0 352.479 -0.329 20 0 FBADRP CC1(C)C[NH2+]C[C@H]1NC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000911520682 660078886 /nfs/dbraw/zinc/07/88/86/660078886.db2.gz JSBNFUBNKBTUKY-OAHLLOKOSA-N 2 0 352.479 -0.329 20 0 FBADRP CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000911523414 660078981 /nfs/dbraw/zinc/07/89/81/660078981.db2.gz ZZLBZNPGKMDGQJ-HNNXBMFYSA-N 2 0 352.479 -0.329 20 0 FBADRP CC1(C)C[NH2+]C[C@H]1NC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000911523416 660078954 /nfs/dbraw/zinc/07/89/54/660078954.db2.gz ZZLBZNPGKMDGQJ-OAHLLOKOSA-N 2 0 352.479 -0.329 20 0 FBADRP CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000911527545 660079038 /nfs/dbraw/zinc/07/90/38/660079038.db2.gz HJCYWHCCDWDCAB-CABCVRRESA-N 2 0 352.479 -0.329 20 0 FBADRP CC1(C)C[NH2+]C[C@H]1NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000911527546 660078993 /nfs/dbraw/zinc/07/89/93/660078993.db2.gz HJCYWHCCDWDCAB-HUUCEWRRSA-N 2 0 352.479 -0.329 20 0 FBADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000911529063 660078452 /nfs/dbraw/zinc/07/84/52/660078452.db2.gz SKPBGANYVALWIS-HNNXBMFYSA-N 2 0 353.511 -0.415 20 0 FBADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911529066 660078420 /nfs/dbraw/zinc/07/84/20/660078420.db2.gz SKPBGANYVALWIS-OAHLLOKOSA-N 2 0 353.511 -0.415 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)C[C@H]1C[NH+](C)C ZINC000911531830 660078450 /nfs/dbraw/zinc/07/84/50/660078450.db2.gz DJJMNIKOVWFHSJ-KFWWJZLASA-N 3 0 353.511 -0.702 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)C[C@H]1C[NH+](C)C ZINC000911531831 660078326 /nfs/dbraw/zinc/07/83/26/660078326.db2.gz DJJMNIKOVWFHSJ-RBSFLKMASA-N 3 0 353.511 -0.702 20 0 FBADRP CN1CC[NH+](C2CCN(C(=O)C(=O)N[C@H]3C[NH2+]CC3(C)C)CC2)CC1 ZINC000911533017 660078430 /nfs/dbraw/zinc/07/84/30/660078430.db2.gz ITHCFNZDWIMCJR-HNNXBMFYSA-N 2 0 351.495 -0.661 20 0 FBADRP CN1CC[NH+](C2CCN(C(=O)C(=O)N[C@@H]3C[NH2+]CC3(C)C)CC2)CC1 ZINC000911533019 660078354 /nfs/dbraw/zinc/07/83/54/660078354.db2.gz ITHCFNZDWIMCJR-OAHLLOKOSA-N 2 0 351.495 -0.661 20 0 FBADRP CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000911535360 660078810 /nfs/dbraw/zinc/07/88/10/660078810.db2.gz QZFFYWBZERPZFV-AWEZNQCLSA-N 2 0 352.479 -0.186 20 0 FBADRP CC1(C)C[NH2+]C[C@H]1NC(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000911535361 660078660 /nfs/dbraw/zinc/07/86/60/660078660.db2.gz QZFFYWBZERPZFV-CQSZACIVSA-N 2 0 352.479 -0.186 20 0 FBADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911535851 660079858 /nfs/dbraw/zinc/07/98/58/660079858.db2.gz JFALCMMDGHQNDC-OCVGTWLNSA-N 2 0 350.463 -0.293 20 0 FBADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911535852 660079900 /nfs/dbraw/zinc/07/99/00/660079900.db2.gz JFALCMMDGHQNDC-WMHQRMGPSA-N 2 0 350.463 -0.293 20 0 FBADRP O=C(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000911537434 660079877 /nfs/dbraw/zinc/07/98/77/660079877.db2.gz VJINLLLGWPGELR-CAOSSQGBSA-N 2 0 350.463 -0.434 20 0 FBADRP O=C(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000911537555 660079840 /nfs/dbraw/zinc/07/98/40/660079840.db2.gz IZCQXSPDLYMUKK-ARFHVFGLSA-N 2 0 350.463 -0.434 20 0 FBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC000911538478 660079855 /nfs/dbraw/zinc/07/98/55/660079855.db2.gz QXWGWZRWVKOXMU-CAOSSQGBSA-N 2 0 352.479 -0.045 20 0 FBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC000911538479 660079905 /nfs/dbraw/zinc/07/99/05/660079905.db2.gz QXWGWZRWVKOXMU-ZJIFWQFVSA-N 2 0 352.479 -0.045 20 0 FBADRP O=C(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000911538916 660079895 /nfs/dbraw/zinc/07/98/95/660079895.db2.gz WRPZSFGGGBCKNK-ARFHVFGLSA-N 2 0 350.463 -0.434 20 0 FBADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911542962 660079018 /nfs/dbraw/zinc/07/90/18/660079018.db2.gz SBVRIPZOGYAFPU-NUEKZKHPSA-N 2 0 351.495 -0.520 20 0 FBADRP C[NH+](C)CCCOC1CCN(C(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC1 ZINC000911543003 660078910 /nfs/dbraw/zinc/07/89/10/660078910.db2.gz SOOPARYJPRQVNI-NUEKZKHPSA-N 2 0 352.479 -0.045 20 0 FBADRP O=C(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000911543376 660079053 /nfs/dbraw/zinc/07/90/53/660079053.db2.gz VJINLLLGWPGELR-QKPAOTATSA-N 2 0 350.463 -0.434 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C[C@H]1C[NH+](C)C ZINC000911544474 660079302 /nfs/dbraw/zinc/07/93/02/660079302.db2.gz CTHKHIHXWOTRKK-IBEHDNSVSA-N 3 0 351.495 -0.807 20 0 FBADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911545453 660079358 /nfs/dbraw/zinc/07/93/58/660079358.db2.gz JFALCMMDGHQNDC-LQKXBSAESA-N 2 0 350.463 -0.293 20 0 FBADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911545454 660079355 /nfs/dbraw/zinc/07/93/55/660079355.db2.gz JFALCMMDGHQNDC-LUYZLQTOSA-N 2 0 350.463 -0.293 20 0 FBADRP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC1 ZINC000911545473 660079273 /nfs/dbraw/zinc/07/92/73/660079273.db2.gz JMTRZNRIGHNMHR-RRFJBIMHSA-N 2 0 350.463 -0.291 20 0 FBADRP CC(C)[NH+]1CCN(CCC(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)CC1 ZINC000911545687 660079298 /nfs/dbraw/zinc/07/92/98/660079298.db2.gz QYOHWVHXAWMLSK-INIZCTEOSA-N 2 0 353.511 -0.019 20 0 FBADRP CC(C)[NH+]1CCN(CCC(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)CC1 ZINC000911545700 660079305 /nfs/dbraw/zinc/07/93/05/660079305.db2.gz QYOHWVHXAWMLSK-MRXNPFEDSA-N 2 0 353.511 -0.019 20 0 FBADRP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000911549571 660079188 /nfs/dbraw/zinc/07/91/88/660079188.db2.gz IZCQXSPDLYMUKK-OWCLPIDISA-N 2 0 350.463 -0.434 20 0 FBADRP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000911550020 660079280 /nfs/dbraw/zinc/07/92/80/660079280.db2.gz VJINLLLGWPGELR-XUWVNRHRSA-N 2 0 350.463 -0.434 20 0 FBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC000911550314 660079330 /nfs/dbraw/zinc/07/93/30/660079330.db2.gz QXWGWZRWVKOXMU-FXUDXRNXSA-N 2 0 352.479 -0.045 20 0 FBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC000911550316 660079295 /nfs/dbraw/zinc/07/92/95/660079295.db2.gz QXWGWZRWVKOXMU-LVQVYYBASA-N 2 0 352.479 -0.045 20 0 FBADRP C[NH+](C)CCCOC1CCN(C(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC1 ZINC000911550371 660079248 /nfs/dbraw/zinc/07/92/48/660079248.db2.gz SOOPARYJPRQVNI-VNQPRFMTSA-N 2 0 352.479 -0.045 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C[C@H]1C[NH+](C)C ZINC000911550482 660079362 /nfs/dbraw/zinc/07/93/62/660079362.db2.gz CTHKHIHXWOTRKK-DGXTUMSLSA-N 3 0 351.495 -0.807 20 0 FBADRP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000911550673 660079156 /nfs/dbraw/zinc/07/91/56/660079156.db2.gz WRPZSFGGGBCKNK-OWCLPIDISA-N 2 0 350.463 -0.434 20 0 FBADRP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC1 ZINC000911551229 660079310 /nfs/dbraw/zinc/07/93/10/660079310.db2.gz JMTRZNRIGHNMHR-QLFBSQMISA-N 2 0 350.463 -0.291 20 0 FBADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911551878 660079257 /nfs/dbraw/zinc/07/92/57/660079257.db2.gz SBVRIPZOGYAFPU-VNQPRFMTSA-N 2 0 351.495 -0.520 20 0 FBADRP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000911552231 660079575 /nfs/dbraw/zinc/07/95/75/660079575.db2.gz VJINLLLGWPGELR-LVQVYYBASA-N 2 0 350.463 -0.434 20 0 FBADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)CC1 ZINC000911554762 660079635 /nfs/dbraw/zinc/07/96/35/660079635.db2.gz CGQRIWSVMGDHEX-HNNXBMFYSA-N 2 0 354.495 -0.060 20 0 FBADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)CC1 ZINC000911554763 660079499 /nfs/dbraw/zinc/07/94/99/660079499.db2.gz CGQRIWSVMGDHEX-OAHLLOKOSA-N 2 0 354.495 -0.060 20 0 FBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000911555173 660079535 /nfs/dbraw/zinc/07/95/35/660079535.db2.gz FLQVDALNPURYST-INIZCTEOSA-N 2 0 353.511 -0.269 20 0 FBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000911555174 660079566 /nfs/dbraw/zinc/07/95/66/660079566.db2.gz FLQVDALNPURYST-MRXNPFEDSA-N 2 0 353.511 -0.269 20 0 FBADRP O=C(NC[C@@H]1CCCCC[NH2+]1)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000911557574 660079791 /nfs/dbraw/zinc/07/97/91/660079791.db2.gz OZCAWRJMVXUUFE-ARFHVFGLSA-N 2 0 352.479 -0.308 20 0 FBADRP O=C(NC[C@@H]1CCCCC[NH2+]1)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000911557575 660079881 /nfs/dbraw/zinc/07/98/81/660079881.db2.gz OZCAWRJMVXUUFE-HRCADAONSA-N 2 0 352.479 -0.308 20 0 FBADRP O=C(NC[C@@H]1CCCCC[NH2+]1)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000911557576 660079914 /nfs/dbraw/zinc/07/99/14/660079914.db2.gz OZCAWRJMVXUUFE-JYJNAYRXSA-N 2 0 352.479 -0.308 20 0 FBADRP O=C(NC[C@@H]1CCCCC[NH2+]1)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000911557577 660079844 /nfs/dbraw/zinc/07/98/44/660079844.db2.gz OZCAWRJMVXUUFE-XHSDSOJGSA-N 2 0 352.479 -0.308 20 0 FBADRP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)CC1 ZINC000911564183 660080219 /nfs/dbraw/zinc/08/02/19/660080219.db2.gz XOHWJCAGPPKIBU-SHTZXODSSA-N 2 0 352.479 -0.057 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NCc2csc(N)n2)C[C@H]1C[NH+](C)C ZINC000911571957 660080084 /nfs/dbraw/zinc/08/00/84/660080084.db2.gz HIHOSMJTNHCKQQ-VXGBXAGGSA-N 2 0 368.507 -0.461 20 0 FBADRP CC[C@@H](C(=O)NC[C@H]1CN(C(=O)[C@H](CC)[NH+](C)C)CCN1C)[NH+](C)C ZINC000911627487 660080410 /nfs/dbraw/zinc/08/04/10/660080410.db2.gz ZUXIXZDWVBDWIA-JYJNAYRXSA-N 2 0 355.527 -0.074 20 0 FBADRP CC[C@@H](C(=O)NC[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)CCN1C)[NH+](C)C ZINC000911627488 660080383 /nfs/dbraw/zinc/08/03/83/660080383.db2.gz ZUXIXZDWVBDWIA-PMPSAXMXSA-N 2 0 355.527 -0.074 20 0 FBADRP [NH3+]CCn1cc(Br)cc(C(=O)NCCN2CC[NH2+]CC2)c1=O ZINC000911692911 660080993 /nfs/dbraw/zinc/08/09/93/660080993.db2.gz ACNKPGDTUJNOEN-UHFFFAOYSA-N 2 0 372.267 -0.796 20 0 FBADRP O=C(CNC(=O)c1cnc(CC2CC[NH2+]CC2)s1)N1CC[NH2+]CC1 ZINC000911701931 660080948 /nfs/dbraw/zinc/08/09/48/660080948.db2.gz HFJMFLGCIPVVCK-UHFFFAOYSA-N 2 0 351.476 -0.153 20 0 FBADRP [NH3+][C@@H](CC(=O)NCC(=O)N1CC[NH2+]CC1)Cc1cc(F)c(F)cc1F ZINC000911702589 660081073 /nfs/dbraw/zinc/08/10/73/660081073.db2.gz OKYQVCHCJPROJW-LLVKDONJSA-N 2 0 358.364 -0.088 20 0 FBADRP O=C([C@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@H]2CCOC3)C1)N1CC[NH2+]CC1 ZINC000911704590 660081005 /nfs/dbraw/zinc/08/10/05/660081005.db2.gz GBYHDMQVFYTRKX-DAYGRLMNSA-N 2 0 350.463 -0.717 20 0 FBADRP O=C([C@@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@H]2CCOC3)C1)N1CC[NH2+]CC1 ZINC000911704592 660080955 /nfs/dbraw/zinc/08/09/55/660080955.db2.gz GBYHDMQVFYTRKX-RKVPGOIHSA-N 2 0 350.463 -0.717 20 0 FBADRP C[C@@H]([NH3+])C1(C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CCOCC1 ZINC000911705570 660081097 /nfs/dbraw/zinc/08/10/97/660081097.db2.gz MRQQESHXWVTFPS-CABCVRRESA-N 2 0 352.479 -0.199 20 0 FBADRP C[C@H]([NH3+])C1(C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CCOCC1 ZINC000911705571 660080931 /nfs/dbraw/zinc/08/09/31/660080931.db2.gz MRQQESHXWVTFPS-GJZGRUSLSA-N 2 0 352.479 -0.199 20 0 FBADRP C[C@@H]([NH3+])C1(C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CCOCC1 ZINC000911705572 660080899 /nfs/dbraw/zinc/08/08/99/660080899.db2.gz MRQQESHXWVTFPS-HUUCEWRRSA-N 2 0 352.479 -0.199 20 0 FBADRP C[C@H]([NH3+])C1(C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CCOCC1 ZINC000911705573 660081037 /nfs/dbraw/zinc/08/10/37/660081037.db2.gz MRQQESHXWVTFPS-LSDHHAIUSA-N 2 0 352.479 -0.199 20 0 FBADRP C[NH+]1CCC(OCC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000911706213 660080924 /nfs/dbraw/zinc/08/09/24/660080924.db2.gz RAXWHFOMENOBNI-HNNXBMFYSA-N 2 0 352.479 -0.232 20 0 FBADRP C[NH+]1CCC(OCC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000911706214 660080968 /nfs/dbraw/zinc/08/09/68/660080968.db2.gz RAXWHFOMENOBNI-OAHLLOKOSA-N 2 0 352.479 -0.232 20 0 FBADRP CC(C)[NH+]1CCN(CCC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC1 ZINC000911874376 660082361 /nfs/dbraw/zinc/08/23/61/660082361.db2.gz ZMYNBKCXPGLASP-UHFFFAOYSA-N 2 0 353.511 -0.365 20 0 FBADRP CN1CCN(C(=O)c2cc(Br)cn(CC[NH3+])c2=O)[C@H](C[NH3+])C1 ZINC000911877946 660082265 /nfs/dbraw/zinc/08/22/65/660082265.db2.gz CVPJSVVUWFFCOO-LLVKDONJSA-N 2 0 372.267 -0.716 20 0 FBADRP CN1CCN(C(=O)c2cc(Br)cn(CC[NH3+])c2=O)[C@@H](C[NH3+])C1 ZINC000911877954 660082351 /nfs/dbraw/zinc/08/23/51/660082351.db2.gz CVPJSVVUWFFCOO-NSHDSACASA-N 2 0 372.267 -0.716 20 0 FBADRP CC(C)[NH+]1CCN(CCC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)CC1 ZINC000912460182 660086637 /nfs/dbraw/zinc/08/66/37/660086637.db2.gz CCVACHLISXYWFF-UHFFFAOYSA-N 2 0 355.527 -0.119 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N(C)CC[NH+](C)CCO)CC1=O ZINC000912607619 660089725 /nfs/dbraw/zinc/08/97/25/660089725.db2.gz YBLUCBTYEMASQM-CVEARBPZSA-N 2 0 354.495 -0.298 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N(C)CC[NH+](C)CCO)CC1=O ZINC000912607620 660089580 /nfs/dbraw/zinc/08/95/80/660089580.db2.gz YBLUCBTYEMASQM-HOTGVXAUSA-N 2 0 354.495 -0.298 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(C)CC[NH+](C)CCO)CC1=O ZINC000912607621 660089712 /nfs/dbraw/zinc/08/97/12/660089712.db2.gz YBLUCBTYEMASQM-HZPDHXFCSA-N 2 0 354.495 -0.298 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)CC[NH+](C)CCO)CC1=O ZINC000912607622 660089638 /nfs/dbraw/zinc/08/96/38/660089638.db2.gz YBLUCBTYEMASQM-JKSUJKDBSA-N 2 0 354.495 -0.298 20 0 FBADRP O=C(COCC(=O)N1CC[C@H]([NH+]2CCC2)C1)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912918021 660092714 /nfs/dbraw/zinc/09/27/14/660092714.db2.gz SPCWPJQHOPETQR-HOTGVXAUSA-N 2 0 350.463 -0.384 20 0 FBADRP O=C(COCC(=O)N1CC[C@@H]([NH+]2CCC2)C1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912918022 660092644 /nfs/dbraw/zinc/09/26/44/660092644.db2.gz SPCWPJQHOPETQR-HZPDHXFCSA-N 2 0 350.463 -0.384 20 0 FBADRP O=C(COCC(=O)N1CC[C@H]([NH+]2CCC2)C1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912918023 660092766 /nfs/dbraw/zinc/09/27/66/660092766.db2.gz SPCWPJQHOPETQR-IYBDPMFKSA-N 2 0 350.463 -0.384 20 0 FBADRP CC(C)[NH+]1CCN(CCC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000912993118 660093537 /nfs/dbraw/zinc/09/35/37/660093537.db2.gz RJSBFQHXPTWBNK-INIZCTEOSA-N 2 0 353.511 -0.142 20 0 FBADRP O[C@H](CN1CCCN(C[C@H](O)C[NH+]2CCCC2)CC1)C[NH+]1CCCC1 ZINC000913359277 660098071 /nfs/dbraw/zinc/09/80/71/660098071.db2.gz DOBCYERROINOFQ-KDURUIRLSA-N 2 0 354.539 -0.093 20 0 FBADRP O[C@H](CN1CCCN(C[C@@H](O)C[NH+]2CCCC2)CC1)C[NH+]1CCCC1 ZINC000913359278 660098034 /nfs/dbraw/zinc/09/80/34/660098034.db2.gz DOBCYERROINOFQ-OALUTQOASA-N 3 0 354.539 -0.093 20 0 FBADRP O[C@@H](CN1CCCN(C[C@H](O)C[NH+]2CCCC2)CC1)C[NH+]1CCCC1 ZINC000913359279 660098101 /nfs/dbraw/zinc/09/81/01/660098101.db2.gz DOBCYERROINOFQ-RTBURBONSA-N 3 0 354.539 -0.093 20 0 FBADRP C[NH+](CC(=O)NC1(CNC(=O)C[N@@H+](C)C2CCC2)COC1)C1CCC1 ZINC000913492711 660098774 /nfs/dbraw/zinc/09/87/74/660098774.db2.gz XKVMCNJEDDZQML-UHFFFAOYSA-N 2 0 352.479 -0.044 20 0 FBADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CC[NH+](CCCCCO)CC2)CC1=O ZINC000913691129 660120027 /nfs/dbraw/zinc/12/00/27/660120027.db2.gz KQNWWNCTLWZCJV-INIZCTEOSA-N 2 0 354.495 -0.297 20 0 FBADRP C[NH+](C)CCN1C[C@H](C(=O)N2CC[NH+](CCCCCO)CC2)CC1=O ZINC000913691130 660120060 /nfs/dbraw/zinc/12/00/60/660120060.db2.gz KQNWWNCTLWZCJV-MRXNPFEDSA-N 2 0 354.495 -0.297 20 0 FBADRP O=S(=O)(NCCCN1CCN(c2cc[nH+]cc2)CC1)[C@@H]1COC[C@H]1O ZINC000914021568 660125027 /nfs/dbraw/zinc/12/50/27/660125027.db2.gz SORYTMFHRWREKJ-HZPDHXFCSA-N 2 0 370.475 -0.727 20 0 FBADRP NC(=O)[C@H]1CCC[N@H+](CCCNS(=O)(=O)C[C@@]23CC[NH+](C2)CCC3)C1 ZINC000914046139 660125220 /nfs/dbraw/zinc/12/52/20/660125220.db2.gz VDQCHMKPJAWPTO-RDJZCZTQSA-N 2 0 372.535 -0.021 20 0 FBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNS(=O)(=O)C[C@@]23CC[NH+](C2)CCC3)C1 ZINC000914046140 660125280 /nfs/dbraw/zinc/12/52/80/660125280.db2.gz VDQCHMKPJAWPTO-WBVHZDCISA-N 2 0 372.535 -0.021 20 0 FBADRP COC(=O)c1cc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)n(C)c1 ZINC000914059795 660125263 /nfs/dbraw/zinc/12/52/63/660125263.db2.gz QNTXHDDLKHYKQD-UHFFFAOYSA-N 2 0 360.480 -0.074 20 0 FBADRP COC(=O)c1ccnc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000914059831 660125251 /nfs/dbraw/zinc/12/52/51/660125251.db2.gz SDAJTPMYAOGVFQ-UHFFFAOYSA-N 2 0 358.464 -0.018 20 0 FBADRP C[NH+](C)CCN(CCOCCO)S(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2 ZINC000914154825 660127749 /nfs/dbraw/zinc/12/77/49/660127749.db2.gz NYHHCCJQADKLSD-INIZCTEOSA-N 2 0 363.524 -0.325 20 0 FBADRP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000915066285 660146282 /nfs/dbraw/zinc/14/62/82/660146282.db2.gz HKSCPLZWWSFGGS-PBHICJAKSA-N 2 0 352.479 -0.226 20 0 FBADRP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000915066286 660146264 /nfs/dbraw/zinc/14/62/64/660146264.db2.gz HKSCPLZWWSFGGS-RHSMWYFYSA-N 2 0 352.479 -0.226 20 0 FBADRP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000915066287 660146287 /nfs/dbraw/zinc/14/62/87/660146287.db2.gz HKSCPLZWWSFGGS-WMLDXEAASA-N 2 0 352.479 -0.226 20 0 FBADRP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000915066288 660146269 /nfs/dbraw/zinc/14/62/69/660146269.db2.gz HKSCPLZWWSFGGS-YOEHRIQHSA-N 2 0 352.479 -0.226 20 0 FBADRP C[C@H]1CN(C(=S)NCC[NH+](C)C)CCN1C(=S)NCC[NH+](C)C ZINC000916112603 660179747 /nfs/dbraw/zinc/17/97/47/660179747.db2.gz MARWRMGSKTWUGU-ZDUSSCGKSA-N 2 0 360.597 -0.135 20 0 FBADRP C[NH+](C)CCNC(=S)N1CCCN(C(=S)NCC[NH+](C)C)CC1 ZINC000916116307 660179527 /nfs/dbraw/zinc/17/95/27/660179527.db2.gz NAXMTHDDURVNMB-UHFFFAOYSA-N 2 0 360.597 -0.134 20 0 FBADRP C[C@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2 ZINC000916624899 660181372 /nfs/dbraw/zinc/18/13/72/660181372.db2.gz RIXZIDHEBOOWPH-HOCLYGCPSA-N 2 0 358.508 -0.146 20 0 FBADRP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2 ZINC000916624900 837132480 /nfs/dbraw/zinc/13/24/80/837132480.db2.gz RIXZIDHEBOOWPH-ZBFHGGJFSA-N 2 0 358.508 -0.146 20 0 FBADRP C[NH+](C)CCN1CCN(S(=O)(=O)C[C@@]23CC[N@H+](C2)CCC3)CC1=O ZINC000916674864 660182783 /nfs/dbraw/zinc/18/27/83/660182783.db2.gz QKVFUQQMJYCOCA-INIZCTEOSA-N 2 0 358.508 -0.492 20 0 FBADRP C[NH+]1CCN(CCCS(=O)(=O)N2CCc3[nH+]ccc(N)c3C2)CC1 ZINC000918900840 660198422 /nfs/dbraw/zinc/19/84/22/660198422.db2.gz WGMFTMAYHDMSRE-UHFFFAOYSA-N 2 0 353.492 -0.011 20 0 FBADRP C[NH+](C)C[C@@]1(O)CCCN(S(=O)(=O)CCCN2CC[NH+](C)CC2)C1 ZINC000918962892 660198673 /nfs/dbraw/zinc/19/86/73/660198673.db2.gz PNGHTRAABUTGQE-INIZCTEOSA-N 2 0 362.540 -0.658 20 0 FBADRP C[NH+](C)C[C@]1(O)CCCN(S(=O)(=O)CCCN2CC[NH+](C)CC2)C1 ZINC000918962893 660198708 /nfs/dbraw/zinc/19/87/08/660198708.db2.gz PNGHTRAABUTGQE-MRXNPFEDSA-N 2 0 362.540 -0.658 20 0 FBADRP CCO[C@@H](CNS(=O)(=O)CCCN1CC[NH+](C)CC1)C[NH+](C)C ZINC000921635629 660397185 /nfs/dbraw/zinc/39/71/85/660397185.db2.gz YVYFQHRJLHJBBL-HNNXBMFYSA-N 2 0 350.529 -0.490 20 0 FBADRP CCO[C@H](CNS(=O)(=O)CCCN1CC[NH+](C)CC1)C[NH+](C)C ZINC000921635633 660397168 /nfs/dbraw/zinc/39/71/68/660397168.db2.gz YVYFQHRJLHJBBL-OAHLLOKOSA-N 2 0 350.529 -0.490 20 0 FBADRP C[N@H+](CCNC(=O)C1CCC([NH+]2CCOCC2)CC1)CCOCCO ZINC000922127672 660454383 /nfs/dbraw/zinc/45/43/83/660454383.db2.gz APKKAYAIBQASJX-UHFFFAOYSA-N 2 0 357.495 -0.066 20 0 FBADRP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cn(C)c(=O)n(C)c1=O)C2 ZINC000922386503 660466762 /nfs/dbraw/zinc/46/67/62/660466762.db2.gz HTOVWVVPOYBESU-ADAWSYLGSA-N 2 0 350.463 -0.347 20 0 FBADRP CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cn(C)c(=O)n(C)c1=O)C2 ZINC000922386505 660466709 /nfs/dbraw/zinc/46/67/09/660466709.db2.gz HTOVWVVPOYBESU-ATNYBXOESA-N 2 0 350.463 -0.347 20 0 FBADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cn(C)c(=O)n(C)c1=O)C2 ZINC000922386507 660466801 /nfs/dbraw/zinc/46/68/01/660466801.db2.gz HTOVWVVPOYBESU-BSXFFOKHSA-N 2 0 350.463 -0.347 20 0 FBADRP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cn(C)c(=O)n(C)c1=O)C2 ZINC000922386509 660466750 /nfs/dbraw/zinc/46/67/50/660466750.db2.gz HTOVWVVPOYBESU-ZXFNITATSA-N 2 0 350.463 -0.347 20 0 FBADRP O=C([C@@H]1CCC[N@@H+](C[C@@H](O)COC[C@H]2CCCO2)C1)N1CC[NH2+]CC1 ZINC000923282324 660515797 /nfs/dbraw/zinc/51/57/97/660515797.db2.gz NCWGVNAVCMGGLO-BRWVUGGUSA-N 2 0 355.479 -0.313 20 0 FBADRP O=C([C@@H]1CCC[N@@H+](C[C@H](O)COC[C@@H]2CCCO2)C1)N1CC[NH2+]CC1 ZINC000923282325 660515921 /nfs/dbraw/zinc/51/59/21/660515921.db2.gz NCWGVNAVCMGGLO-IKGGRYGDSA-N 2 0 355.479 -0.313 20 0 FBADRP O=C([C@@H]1CCC[N@@H+](C[C@H](O)COC[C@H]2CCCO2)C1)N1CC[NH2+]CC1 ZINC000923282326 660515866 /nfs/dbraw/zinc/51/58/66/660515866.db2.gz NCWGVNAVCMGGLO-IXDOHACOSA-N 2 0 355.479 -0.313 20 0 FBADRP O=C([C@@H]1CCC[N@@H+](C[C@@H](O)COC[C@@H]2CCCO2)C1)N1CC[NH2+]CC1 ZINC000923282327 660515707 /nfs/dbraw/zinc/51/57/07/660515707.db2.gz NCWGVNAVCMGGLO-ZACQAIPSSA-N 2 0 355.479 -0.313 20 0 FBADRP O=C([C@@H]1CCC[N@@H+](C[C@H](O)COC2CCOCC2)C1)N1CC[NH2+]CC1 ZINC000923282797 660515692 /nfs/dbraw/zinc/51/56/92/660515692.db2.gz QMSANPFKOSLQHI-CVEARBPZSA-N 2 0 355.479 -0.313 20 0 FBADRP O=C([C@H]1CCC[N@@H+](C[C@H](O)COC2CCOCC2)C1)N1CC[NH2+]CC1 ZINC000923282799 660515809 /nfs/dbraw/zinc/51/58/09/660515809.db2.gz QMSANPFKOSLQHI-HOTGVXAUSA-N 2 0 355.479 -0.313 20 0 FBADRP O=C([C@@H]1CCC[N@@H+](C[C@@H](O)COC2CCOCC2)C1)N1CC[NH2+]CC1 ZINC000923282801 660515738 /nfs/dbraw/zinc/51/57/38/660515738.db2.gz QMSANPFKOSLQHI-HZPDHXFCSA-N 2 0 355.479 -0.313 20 0 FBADRP O=C([C@H]1CCC[N@@H+](C[C@@H](O)COC2CCOCC2)C1)N1CC[NH2+]CC1 ZINC000923282803 660515931 /nfs/dbraw/zinc/51/59/31/660515931.db2.gz QMSANPFKOSLQHI-JKSUJKDBSA-N 2 0 355.479 -0.313 20 0 FBADRP NS(=O)(=O)c1ccc(N2CC[NH+](C[C@@H]3CC4(C[NH2+]C4)CO3)CC2)cc1 ZINC000923318740 660516122 /nfs/dbraw/zinc/51/61/22/660516122.db2.gz HZTJQTHQQIIICE-HNNXBMFYSA-N 2 0 366.487 -0.166 20 0 FBADRP NS(=O)(=O)c1ccc(N2CC[NH+](C[C@H]3CC4(C[NH2+]C4)CO3)CC2)cc1 ZINC000923318742 660516530 /nfs/dbraw/zinc/51/65/30/660516530.db2.gz HZTJQTHQQIIICE-OAHLLOKOSA-N 2 0 366.487 -0.166 20 0 FBADRP COCCCNC(=O)[C@@H](C)N1CCN(C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923324511 660516459 /nfs/dbraw/zinc/51/64/59/660516459.db2.gz WUXKARXXWARXFV-CVEARBPZSA-N 2 0 354.495 -0.476 20 0 FBADRP COCCCNC(=O)[C@H](C)N1CCN(C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923324512 660516474 /nfs/dbraw/zinc/51/64/74/660516474.db2.gz WUXKARXXWARXFV-HOTGVXAUSA-N 2 0 354.495 -0.476 20 0 FBADRP COCCCNC(=O)[C@@H](C)N1CCN(C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923324513 660516534 /nfs/dbraw/zinc/51/65/34/660516534.db2.gz WUXKARXXWARXFV-HZPDHXFCSA-N 2 0 354.495 -0.476 20 0 FBADRP COCCCNC(=O)[C@H](C)N1CCN(C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923324514 660516527 /nfs/dbraw/zinc/51/65/27/660516527.db2.gz WUXKARXXWARXFV-JKSUJKDBSA-N 2 0 354.495 -0.476 20 0 FBADRP CN1CC(=O)N(CC[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C1=O ZINC000923328074 660516537 /nfs/dbraw/zinc/51/65/37/660516537.db2.gz JPKIKXFZGDHJBE-KBPBESRZSA-N 2 0 351.451 -0.539 20 0 FBADRP CN1CC(=O)N(CC[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C1=O ZINC000923328075 660516476 /nfs/dbraw/zinc/51/64/76/660516476.db2.gz JPKIKXFZGDHJBE-KGLIPLIRSA-N 2 0 351.451 -0.539 20 0 FBADRP CN1CC(=O)N(CC[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C1=O ZINC000923328076 660516466 /nfs/dbraw/zinc/51/64/66/660516466.db2.gz JPKIKXFZGDHJBE-UONOGXRCSA-N 2 0 351.451 -0.539 20 0 FBADRP CN1CC(=O)N(CC[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C1=O ZINC000923328077 660516517 /nfs/dbraw/zinc/51/65/17/660516517.db2.gz JPKIKXFZGDHJBE-ZIAGYGMSSA-N 2 0 351.451 -0.539 20 0 FBADRP [NH3+]CC(C[NH3+])NCC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000923354242 660516886 /nfs/dbraw/zinc/51/68/86/660516886.db2.gz LSXHTMGWJFOEOE-UHFFFAOYSA-N 2 0 357.861 -0.001 20 0 FBADRP O=S(=O)([C@H]1CCC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1)N1CCOCC1 ZINC000923373856 660517269 /nfs/dbraw/zinc/51/72/69/660517269.db2.gz URSYELAJTOGZHH-CABCVRRESA-N 2 0 359.492 -0.509 20 0 FBADRP O=S(=O)([C@H]1CCC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1)N1CCOCC1 ZINC000923373857 660517223 /nfs/dbraw/zinc/51/72/23/660517223.db2.gz URSYELAJTOGZHH-GJZGRUSLSA-N 2 0 359.492 -0.509 20 0 FBADRP O=S(=O)([C@@H]1CCC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1)N1CCOCC1 ZINC000923373858 660517240 /nfs/dbraw/zinc/51/72/40/660517240.db2.gz URSYELAJTOGZHH-HUUCEWRRSA-N 2 0 359.492 -0.509 20 0 FBADRP O=S(=O)([C@@H]1CCC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1)N1CCOCC1 ZINC000923374092 660517231 /nfs/dbraw/zinc/51/72/31/660517231.db2.gz URSYELAJTOGZHH-LSDHHAIUSA-N 2 0 359.492 -0.509 20 0 FBADRP COC[C@@H](C)OC[C@@H](O)C[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000923397187 660517657 /nfs/dbraw/zinc/51/76/57/660517657.db2.gz ARGVPJQJYSVPIC-BVUBDWEXSA-N 2 0 357.451 -0.344 20 0 FBADRP COC[C@H](C)OC[C@@H](O)C[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000923397191 660517536 /nfs/dbraw/zinc/51/75/36/660517536.db2.gz ARGVPJQJYSVPIC-HNKHHVNMSA-N 2 0 357.451 -0.344 20 0 FBADRP COC[C@@H](C)OC[C@H](O)C[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000923397193 660517610 /nfs/dbraw/zinc/51/76/10/660517610.db2.gz ARGVPJQJYSVPIC-MIGQKNRLSA-N 2 0 357.451 -0.344 20 0 FBADRP COC[C@H](C)OC[C@H](O)C[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000923397196 660517529 /nfs/dbraw/zinc/51/75/29/660517529.db2.gz ARGVPJQJYSVPIC-XZDPQHSOSA-N 2 0 357.451 -0.344 20 0 FBADRP COCC[N@H+](C)C[C@@H](O)CN1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000923397274 660517616 /nfs/dbraw/zinc/51/76/16/660517616.db2.gz BSLUHZUCUZRVNP-OAGGEKHMSA-N 2 0 356.467 -0.818 20 0 FBADRP COCC[N@H+](C)C[C@H](O)CN1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000923397280 660517568 /nfs/dbraw/zinc/51/75/68/660517568.db2.gz BSLUHZUCUZRVNP-XHSDSOJGSA-N 2 0 356.467 -0.818 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCC[C@H]([NH2+]CCO)C2)C1 ZINC000923405943 660517966 /nfs/dbraw/zinc/51/79/66/660517966.db2.gz BOUULJCZMXSZPL-DLBZAZTESA-N 2 0 356.511 -0.494 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCC[C@@H]([NH2+]CCO)C2)C1 ZINC000923405970 660517865 /nfs/dbraw/zinc/51/78/65/660517865.db2.gz BOUULJCZMXSZPL-IAGOWNOFSA-N 2 0 356.511 -0.494 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCC[C@H]([NH2+]CCO)C2)C1 ZINC000923405973 660517796 /nfs/dbraw/zinc/51/77/96/660517796.db2.gz BOUULJCZMXSZPL-IRXDYDNUSA-N 2 0 356.511 -0.494 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCC[C@@H]([NH2+]CCO)C2)C1 ZINC000923405976 660517973 /nfs/dbraw/zinc/51/79/73/660517973.db2.gz BOUULJCZMXSZPL-SJORKVTESA-N 2 0 356.511 -0.494 20 0 FBADRP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@@H+](C[C@H](O)COC[C@@H]2CCCO2)C1 ZINC000923415209 660518193 /nfs/dbraw/zinc/51/81/93/660518193.db2.gz PEONHHPQIFRBBP-CWVYHPPDSA-N 2 0 355.435 -0.590 20 0 FBADRP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@@H+](C[C@H](O)COC[C@H]2CCCO2)C1 ZINC000923415216 660518155 /nfs/dbraw/zinc/51/81/55/660518155.db2.gz PEONHHPQIFRBBP-JKJDWNRSSA-N 2 0 355.435 -0.590 20 0 FBADRP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@@H+](C[C@@H](O)COC[C@@H]2CCCO2)C1 ZINC000923415218 660518164 /nfs/dbraw/zinc/51/81/64/660518164.db2.gz PEONHHPQIFRBBP-LJIZCISZSA-N 2 0 355.435 -0.590 20 0 FBADRP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@@H+](C[C@@H](O)COC[C@H]2CCCO2)C1 ZINC000923415222 660518180 /nfs/dbraw/zinc/51/81/80/660518180.db2.gz PEONHHPQIFRBBP-QCODTGAPSA-N 2 0 355.435 -0.590 20 0 FBADRP CC(=O)N[C@@H]1CCCN(C(=O)C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)C1 ZINC000923451107 660519838 /nfs/dbraw/zinc/51/98/38/660519838.db2.gz YOWHRRJENGSCKM-CVEARBPZSA-N 2 0 352.479 -0.057 20 0 FBADRP CC(=O)N[C@H]1CCCN(C(=O)C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)C1 ZINC000923451109 660519779 /nfs/dbraw/zinc/51/97/79/660519779.db2.gz YOWHRRJENGSCKM-HOTGVXAUSA-N 2 0 352.479 -0.057 20 0 FBADRP CC(=O)N[C@@H]1CCCN(C(=O)C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)C1 ZINC000923451111 660519863 /nfs/dbraw/zinc/51/98/63/660519863.db2.gz YOWHRRJENGSCKM-HZPDHXFCSA-N 2 0 352.479 -0.057 20 0 FBADRP CC(=O)N[C@H]1CCCN(C(=O)C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)C1 ZINC000923451113 660519823 /nfs/dbraw/zinc/51/98/23/660519823.db2.gz YOWHRRJENGSCKM-JKSUJKDBSA-N 2 0 352.479 -0.057 20 0 FBADRP CC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)CC1 ZINC000923452043 660519875 /nfs/dbraw/zinc/51/98/75/660519875.db2.gz DXJXSKHMEITPSG-GDBMZVCRSA-N 2 0 352.479 -0.105 20 0 FBADRP CC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)CC1 ZINC000923452044 660519890 /nfs/dbraw/zinc/51/98/90/660519890.db2.gz DXJXSKHMEITPSG-GOEBONIOSA-N 2 0 352.479 -0.105 20 0 FBADRP CC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)CC1 ZINC000923452045 660519819 /nfs/dbraw/zinc/51/98/19/660519819.db2.gz DXJXSKHMEITPSG-HOCLYGCPSA-N 2 0 352.479 -0.105 20 0 FBADRP CC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)CC1 ZINC000923452046 660520158 /nfs/dbraw/zinc/52/01/58/660520158.db2.gz DXJXSKHMEITPSG-ZBFHGGJFSA-N 2 0 352.479 -0.105 20 0 FBADRP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](CC(=O)NCCCN1CCCC1=O)CC2 ZINC000923455008 660519884 /nfs/dbraw/zinc/51/98/84/660519884.db2.gz KFKKTUJTAZGPPR-HNNXBMFYSA-N 2 0 352.479 -0.055 20 0 FBADRP [NH3+]C[C@H]1CC2(CO1)CC[NH+](CC(=O)NCCCN1CCCC1=O)CC2 ZINC000923455010 660519827 /nfs/dbraw/zinc/51/98/27/660519827.db2.gz KFKKTUJTAZGPPR-OAHLLOKOSA-N 2 0 352.479 -0.055 20 0 FBADRP CC(C)(C)NS(=O)(=O)C1([C@@H](O)CN2CC[NH2+]CC[NH2+]CC2)CCC1 ZINC000923461361 660520162 /nfs/dbraw/zinc/52/01/62/660520162.db2.gz WERTVHMHLLATAF-AWEZNQCLSA-N 2 0 362.540 -0.517 20 0 FBADRP CC(C)(C)NS(=O)(=O)C1([C@H](O)CN2CC[NH2+]CC[NH2+]CC2)CCC1 ZINC000923461364 660520311 /nfs/dbraw/zinc/52/03/11/660520311.db2.gz WERTVHMHLLATAF-CQSZACIVSA-N 2 0 362.540 -0.517 20 0 FBADRP CN(C)S(=O)(=O)c1ccc(OCCN2CC[NH2+]CC[NH2+]CC2)cc1 ZINC000923465146 660520264 /nfs/dbraw/zinc/52/02/64/660520264.db2.gz VFVBXSJPBJPIPT-UHFFFAOYSA-N 2 0 356.492 -0.190 20 0 FBADRP CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@@H+]2CC[C@H](CC[NH3+])C2)CC1 ZINC000923483452 660520977 /nfs/dbraw/zinc/52/09/77/660520977.db2.gz OZNCYVBSMKEVOO-HNNXBMFYSA-N 2 0 353.511 -0.284 20 0 FBADRP CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@@H+]2CC[C@@H](CC[NH3+])C2)CC1 ZINC000923483453 660521011 /nfs/dbraw/zinc/52/10/11/660521011.db2.gz OZNCYVBSMKEVOO-OAHLLOKOSA-N 2 0 353.511 -0.284 20 0 FBADRP O=C(NC[C@@H]1CCCN(S(=O)(=O)[C@H]2CCC[NH2+]C2)C1)[C@@H]1CCC[NH2+]1 ZINC000923573964 660523938 /nfs/dbraw/zinc/52/39/38/660523938.db2.gz AUHMYLZAKZCQMU-KKUMJFAQSA-N 2 0 358.508 -0.352 20 0 FBADRP O=C(NC[C@@H]1CCCN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)C1)[C@H]1CCC[NH2+]1 ZINC000923573966 660523824 /nfs/dbraw/zinc/52/38/24/660523824.db2.gz AUHMYLZAKZCQMU-RRFJBIMHSA-N 2 0 358.508 -0.352 20 0 FBADRP O=C(NC[C@@H]1CCCN(S(=O)(=O)[C@H]2CCC[NH2+]C2)C1)[C@H]1CCC[NH2+]1 ZINC000923573968 660523886 /nfs/dbraw/zinc/52/38/86/660523886.db2.gz AUHMYLZAKZCQMU-SOUVJXGZSA-N 2 0 358.508 -0.352 20 0 FBADRP O=C(NC[C@@H]1CCCN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)C1)[C@@H]1CCC[NH2+]1 ZINC000923573970 660523920 /nfs/dbraw/zinc/52/39/20/660523920.db2.gz AUHMYLZAKZCQMU-ZNMIVQPWSA-N 2 0 358.508 -0.352 20 0 FBADRP Cn1ncc2c1ncnc2N1CCN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000923586450 660525199 /nfs/dbraw/zinc/52/51/99/660525199.db2.gz QULVFVCMJCXQPC-GFCCVEGCSA-N 2 0 365.463 -0.433 20 0 FBADRP Cn1ncc2c1ncnc2N1CCN(S(=O)(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000923586453 660525163 /nfs/dbraw/zinc/52/51/63/660525163.db2.gz QULVFVCMJCXQPC-LBPRGKRZSA-N 2 0 365.463 -0.433 20 0 FBADRP O=S(=O)(NCCN1CCN(c2ccc(F)cc2)CC1)N1CC[NH2+]CC1 ZINC000923586461 660525173 /nfs/dbraw/zinc/52/51/73/660525173.db2.gz DYLMIQBBOUAIEF-UHFFFAOYSA-N 2 0 371.482 -0.313 20 0 FBADRP C[NH+]1CCN(Cc2ccc(CNS(=O)(=O)N3CC[NH2+]CC3)cc2)CC1 ZINC000923588531 660524702 /nfs/dbraw/zinc/52/47/02/660524702.db2.gz FZUHMVPNASKDPN-UHFFFAOYSA-N 2 0 367.519 -0.326 20 0 FBADRP CC[NH+]1CCN(c2ccc(CNS(=O)(=O)N3CC[NH2+]CC3)cn2)CC1 ZINC000923588932 660524726 /nfs/dbraw/zinc/52/47/26/660524726.db2.gz LIKHJXGBKBHGLK-UHFFFAOYSA-N 2 0 368.507 -0.537 20 0 FBADRP O=C(NCCC[NH+]1CCCC1)C1CCN(S(=O)(=O)C2C[NH2+]C2)CC1 ZINC000923589359 660524700 /nfs/dbraw/zinc/52/47/00/660524700.db2.gz GCRQFXNSXSPPIL-UHFFFAOYSA-N 2 0 358.508 -0.398 20 0 FBADRP CN1CCN(C(=O)c2ccc(CNS(=O)(=O)C3C[NH2+]C3)cc2)CC1 ZINC000923590049 660524803 /nfs/dbraw/zinc/52/48/03/660524803.db2.gz WWTPBFCEIWPXES-UHFFFAOYSA-N 2 0 352.460 -0.535 20 0 FBADRP C[C@@H](CNS(=O)(=O)N1CC[NH2+]CC1)N1CCN(c2ccccc2)CC1 ZINC000923590501 660524684 /nfs/dbraw/zinc/52/46/84/660524684.db2.gz YTQKCJZMTBQNEV-INIZCTEOSA-N 2 0 367.519 -0.063 20 0 FBADRP C[NH+]1CCN(c2ncccc2CNS(=O)(=O)N2CC[NH2+]CC2)CC1 ZINC000923598146 660179972 /nfs/dbraw/zinc/17/99/72/660179972.db2.gz ITTLIYSUCDPNSV-UHFFFAOYSA-N 2 0 354.480 -0.927 20 0 FBADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(S(=O)(=O)N2CC[NH2+]CC2)CC1 ZINC000923601681 660529866 /nfs/dbraw/zinc/52/98/66/660529866.db2.gz WIYQUDDCJSDFDA-HOTGVXAUSA-N 2 0 359.540 -0.373 20 0 FBADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(S(=O)(=O)N2CC[NH2+]CC2)CC1 ZINC000923601682 660529910 /nfs/dbraw/zinc/52/99/10/660529910.db2.gz WIYQUDDCJSDFDA-HZPDHXFCSA-N 2 0 359.540 -0.373 20 0 FBADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(S(=O)(=O)N2CC[NH2+]CC2)CC1 ZINC000923601683 660530150 /nfs/dbraw/zinc/53/01/50/660530150.db2.gz WIYQUDDCJSDFDA-IYBDPMFKSA-N 2 0 359.540 -0.373 20 0 FBADRP O=S(=O)(NCCCN1CCN(c2cc[nH+]cc2)CC1)N1CC[NH2+]CC1 ZINC000923601864 660529915 /nfs/dbraw/zinc/52/99/15/660529915.db2.gz YRLXJPQPWSOLCY-UHFFFAOYSA-N 2 0 368.507 -0.667 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)NCC(=O)N=S(C)(C)=O)C[C@H]1C[NH+](C)C ZINC000923604189 661458265 /nfs/dbraw/zinc/45/82/65/661458265.db2.gz UAFQEMVVWVXVGU-CHWSQXEVSA-N 2 0 361.512 -0.379 20 0 FBADRP C[NH+](C)CCNC(=O)c1cccc(CNS(=O)(=O)N2CC[NH2+]CC2)c1 ZINC000923604242 661461031 /nfs/dbraw/zinc/46/10/31/661461031.db2.gz UDROJXBPEQAAOM-UHFFFAOYSA-N 2 0 369.491 -0.782 20 0 FBADRP C[NH+](C)CCOc1ccc(CCNS(=O)(=O)N2CC[NH2+]CC2)cc1 ZINC000923605232 661476768 /nfs/dbraw/zinc/47/67/68/661476768.db2.gz BRZCITNNJWYMLM-UHFFFAOYSA-N 2 0 356.492 -0.091 20 0 FBADRP CN(C1CC[NH+](CCn2cccn2)CC1)S(=O)(=O)N1CC[NH2+]CC1 ZINC000923608730 661479324 /nfs/dbraw/zinc/47/93/24/661479324.db2.gz QETWZQQSHKOPHM-UHFFFAOYSA-N 2 0 356.496 -0.571 20 0 FBADRP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(S(=O)(=O)[C@@H]3CCC[NH2+]C3)CC2)C1 ZINC000923612457 661480574 /nfs/dbraw/zinc/48/05/74/661480574.db2.gz QMUGOUUXLNLYDQ-DLBZAZTESA-N 2 0 374.551 -0.205 20 0 FBADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(S(=O)(=O)[C@@H]3CCC[NH2+]C3)CC2)C1 ZINC000923612463 661480895 /nfs/dbraw/zinc/48/08/95/661480895.db2.gz QMUGOUUXLNLYDQ-IAGOWNOFSA-N 2 0 374.551 -0.205 20 0 FBADRP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(S(=O)(=O)[C@H]3CCC[NH2+]C3)CC2)C1 ZINC000923612465 661480962 /nfs/dbraw/zinc/48/09/62/661480962.db2.gz QMUGOUUXLNLYDQ-IRXDYDNUSA-N 2 0 374.551 -0.205 20 0 FBADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(S(=O)(=O)[C@H]3CCC[NH2+]C3)CC2)C1 ZINC000923612467 661480734 /nfs/dbraw/zinc/48/07/34/661480734.db2.gz QMUGOUUXLNLYDQ-SJORKVTESA-N 2 0 374.551 -0.205 20 0 FBADRP O=S(=O)(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)N1CC[NH2+]CC1 ZINC000923614706 661481922 /nfs/dbraw/zinc/48/19/22/661481922.db2.gz HTTWZKAENMOLRD-UHFFFAOYSA-N 2 0 368.503 -0.117 20 0 FBADRP [NH3+]C1(CNS(=O)(=O)N2CC[NH2+]CC2)CCN(Cc2ccccc2)CC1 ZINC000923648736 661532409 /nfs/dbraw/zinc/53/24/09/661532409.db2.gz IEPMKRKWZVDICP-UHFFFAOYSA-N 2 0 367.519 -0.281 20 0 FBADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NS(=O)(=O)N2CC[NH2+]CC2)cc1 ZINC000923653572 661538400 /nfs/dbraw/zinc/53/84/00/661538400.db2.gz AHNLCECOZGKKQB-HOTGVXAUSA-N 2 0 354.476 -0.120 20 0 FBADRP Cn1ccnc1CN([C@H]1CC12CC[NH2+]CC2)S(=O)(=O)N1CC[NH2+]CC1 ZINC000923658461 661541401 /nfs/dbraw/zinc/54/14/01/661541401.db2.gz FREZUMPQFJQGTB-AWEZNQCLSA-N 2 0 368.507 -0.486 20 0 FBADRP Cn1ccnc1CN([C@@H]1CC12CC[NH2+]CC2)S(=O)(=O)N1CC[NH2+]CC1 ZINC000923658462 661541425 /nfs/dbraw/zinc/54/14/25/661541425.db2.gz FREZUMPQFJQGTB-CQSZACIVSA-N 2 0 368.507 -0.486 20 0 FBADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CCN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000923660056 661541914 /nfs/dbraw/zinc/54/19/14/661541914.db2.gz PNXRJQRVURHWOY-HZSPNIEDSA-N 2 0 358.464 -0.675 20 0 FBADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CCN(S(=O)(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000923660057 661541885 /nfs/dbraw/zinc/54/18/85/661541885.db2.gz PNXRJQRVURHWOY-MELADBBJSA-N 2 0 358.464 -0.675 20 0 FBADRP O=S(=O)(NCc1ccc(CN2CC[NH2+]CC2)cc1)N1CC[NH2+]CC1 ZINC000923677699 661547263 /nfs/dbraw/zinc/54/72/63/661547263.db2.gz NEDVJMQMLUEBSH-UHFFFAOYSA-N 2 0 353.492 -0.669 20 0 FBADRP C[NH+]1CCN(CCCS(=O)(=O)N2CCC3(CO[C@H](C[NH3+])C3)CC2)CC1 ZINC000923689253 661593264 /nfs/dbraw/zinc/59/32/64/661593264.db2.gz WUAZGJYNVRCXNY-INIZCTEOSA-N 2 0 374.551 -0.217 20 0 FBADRP C[NH+]1CCN(CCCS(=O)(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)CC1 ZINC000923689254 661593273 /nfs/dbraw/zinc/59/32/73/661593273.db2.gz WUAZGJYNVRCXNY-MRXNPFEDSA-N 2 0 374.551 -0.217 20 0 FBADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCNCC[NH2+]CC1 ZINC000923693486 661633846 /nfs/dbraw/zinc/63/38/46/661633846.db2.gz NKGWZHAKECOGPK-UHFFFAOYSA-N 2 0 358.512 -0.755 20 0 FBADRP C[NH+](C)C[C@@H]1NC(=O)N(CC2(N3CCOCC3)CC[NH+](C)CC2)C1=O ZINC000924930873 658948699 /nfs/dbraw/zinc/94/86/99/658948699.db2.gz YTYDQCOGBKJVSY-AWEZNQCLSA-N 2 0 353.467 -0.735 20 0 FBADRP C[NH+](C)C[C@H]1NC(=O)N(CC2(N3CCOCC3)CC[NH+](C)CC2)C1=O ZINC000924930877 658948746 /nfs/dbraw/zinc/94/87/46/658948746.db2.gz YTYDQCOGBKJVSY-CQSZACIVSA-N 2 0 353.467 -0.735 20 0 FBADRP C[C@H]([NH2+]CCC(=O)N1CCN(C)CC1)C1CCN(S(C)(=O)=O)CC1 ZINC000924946410 658952331 /nfs/dbraw/zinc/95/23/31/658952331.db2.gz SGLGSNDPZWBOTI-AWEZNQCLSA-N 2 0 360.524 -0.200 20 0 FBADRP C[C@@H]([NH2+]CCC(=O)N1CCN(C)CC1)C1CCN(S(C)(=O)=O)CC1 ZINC000924946412 658952127 /nfs/dbraw/zinc/95/21/27/658952127.db2.gz SGLGSNDPZWBOTI-CQSZACIVSA-N 2 0 360.524 -0.200 20 0 FBADRP C[NH+](C)C[C@@H]1NC(=O)N([C@@H]2CCC[N@H+](CCN3CCOCC3)C2)C1=O ZINC000925100523 658992898 /nfs/dbraw/zinc/99/28/98/658992898.db2.gz XFWBMFACMLMAGC-CABCVRRESA-N 2 0 353.467 -0.735 20 0 FBADRP C[NH+](C)C[C@@H]1NC(=O)N([C@H]2CCC[N@H+](CCN3CCOCC3)C2)C1=O ZINC000925100528 658993069 /nfs/dbraw/zinc/99/30/69/658993069.db2.gz XFWBMFACMLMAGC-GJZGRUSLSA-N 2 0 353.467 -0.735 20 0 FBADRP C[NH+](C)C[C@H]1NC(=O)N([C@@H]2CCC[N@H+](CCN3CCOCC3)C2)C1=O ZINC000925100530 658992878 /nfs/dbraw/zinc/99/28/78/658992878.db2.gz XFWBMFACMLMAGC-HUUCEWRRSA-N 2 0 353.467 -0.735 20 0 FBADRP C[NH+](C)C[C@H]1NC(=O)N([C@H]2CCC[N@H+](CCN3CCOCC3)C2)C1=O ZINC000925100532 658993182 /nfs/dbraw/zinc/99/31/82/658993182.db2.gz XFWBMFACMLMAGC-LSDHHAIUSA-N 2 0 353.467 -0.735 20 0 FBADRP C[NH+](C)CCN1CCN(C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)CC1=O ZINC000925169158 659886027 /nfs/dbraw/zinc/88/60/27/659886027.db2.gz YNQZBYDJODYVKM-CABCVRRESA-N 2 0 369.535 -0.018 20 0 FBADRP C[NH+](C)CCN1CCN(C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)CC1=O ZINC000925169164 659886066 /nfs/dbraw/zinc/88/60/66/659886066.db2.gz YNQZBYDJODYVKM-GJZGRUSLSA-N 2 0 369.535 -0.018 20 0 FBADRP C[NH+](C)CCN1CCN(C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)CC1=O ZINC000925169167 659885976 /nfs/dbraw/zinc/88/59/76/659885976.db2.gz YNQZBYDJODYVKM-HUUCEWRRSA-N 2 0 369.535 -0.018 20 0 FBADRP C[NH+](C)CCN1CCN(C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)CC1=O ZINC000925169170 659886093 /nfs/dbraw/zinc/88/60/93/659886093.db2.gz YNQZBYDJODYVKM-LSDHHAIUSA-N 2 0 369.535 -0.018 20 0 FBADRP CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1CC(N1C(=O)N[C@@H](C[NH+](C)C)C1=O)C2 ZINC000925343919 660407366 /nfs/dbraw/zinc/40/73/66/660407366.db2.gz JXWRWDNPWVNCPY-PIGZVRMJSA-N 2 0 351.451 -0.448 20 0 FBADRP CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1CC(N1C(=O)N[C@H](C[NH+](C)C)C1=O)C2 ZINC000925343921 660407381 /nfs/dbraw/zinc/40/73/81/660407381.db2.gz JXWRWDNPWVNCPY-QNMSZWNNSA-N 2 0 351.451 -0.448 20 0 FBADRP CCOC(=O)C1([C@H](C)[NH2+]CC[C@H]2CNCCS2(=O)=O)CC[NH2+]CC1 ZINC000925788312 661642474 /nfs/dbraw/zinc/64/24/74/661642474.db2.gz HMOSPXPHAAZWOZ-KBPBESRZSA-N 2 0 361.508 -0.326 20 0 FBADRP CCOC(=O)C1([C@@H](C)[NH2+]CC[C@H]2CNCCS2(=O)=O)CC[NH2+]CC1 ZINC000925788313 661642381 /nfs/dbraw/zinc/64/23/81/661642381.db2.gz HMOSPXPHAAZWOZ-KGLIPLIRSA-N 2 0 361.508 -0.326 20 0 FBADRP CCOC(=O)C1([C@H](C)[NH2+]CC[C@@H]2CNCCS2(=O)=O)CC[NH2+]CC1 ZINC000925788314 661642385 /nfs/dbraw/zinc/64/23/85/661642385.db2.gz HMOSPXPHAAZWOZ-UONOGXRCSA-N 2 0 361.508 -0.326 20 0 FBADRP CCOC(=O)C1([C@@H](C)[NH2+]CC[C@@H]2CNCCS2(=O)=O)CC[NH2+]CC1 ZINC000925788315 661642469 /nfs/dbraw/zinc/64/24/69/661642469.db2.gz HMOSPXPHAAZWOZ-ZIAGYGMSSA-N 2 0 361.508 -0.326 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1COC[C@@H]1Oc1cn[nH]c1 ZINC000926077972 661643834 /nfs/dbraw/zinc/64/38/34/661643834.db2.gz MMACWPVVJDJZKM-CABCVRRESA-N 2 0 354.455 -0.309 20 0 FBADRP C[C@@H](NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)C1N=NC(=O)N1C ZINC000926155076 661644425 /nfs/dbraw/zinc/64/44/25/661644425.db2.gz WEKNADVUGWLVNO-JHJVBQTASA-N 2 0 353.471 -0.038 20 0 FBADRP C[C@H](NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)C1N=NC(=O)N1C ZINC000926155078 661644370 /nfs/dbraw/zinc/64/43/70/661644370.db2.gz WEKNADVUGWLVNO-YNEHKIRRSA-N 2 0 353.471 -0.038 20 0 FBADRP CCO[C@@H](CNC(=O)Nc1cnc(N2CC[NH2+]CC2)nc1)C[NH+](C)C ZINC000926157164 661644357 /nfs/dbraw/zinc/64/43/57/661644357.db2.gz AVORBCDSHFANRZ-AWEZNQCLSA-N 2 0 351.455 -0.026 20 0 FBADRP CCO[C@H](CNC(=O)Nc1cnc(N2CC[NH2+]CC2)nc1)C[NH+](C)C ZINC000926157166 661644372 /nfs/dbraw/zinc/64/43/72/661644372.db2.gz AVORBCDSHFANRZ-CQSZACIVSA-N 2 0 351.455 -0.026 20 0 FBADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)[C@@H]1C[NH+]3CCN1CCC3)C2 ZINC000926164568 661644748 /nfs/dbraw/zinc/64/47/48/661644748.db2.gz MYHBFQYLPMVJDK-BCDMZGRMSA-N 2 0 350.507 -0.028 20 0 FBADRP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)[C@@H]1C[NH+]3CCN1CCC3)C2 ZINC000926164570 661644624 /nfs/dbraw/zinc/64/46/24/661644624.db2.gz MYHBFQYLPMVJDK-OYNZLANYSA-N 2 0 350.507 -0.028 20 0 FBADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)[C@H]1C[NH+]3CCN1CCC3)C2 ZINC000926164572 661644806 /nfs/dbraw/zinc/64/48/06/661644806.db2.gz MYHBFQYLPMVJDK-RXYDEIHYSA-N 2 0 350.507 -0.028 20 0 FBADRP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)[C@H]1C[NH+]3CCN1CCC3)C2 ZINC000926164574 661644658 /nfs/dbraw/zinc/64/46/58/661644658.db2.gz MYHBFQYLPMVJDK-ZQOJQMTGSA-N 2 0 350.507 -0.028 20 0 FBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N2CCC3(CO[C@H](C[NH3+])C3)CC2)CC1 ZINC000926293710 661645674 /nfs/dbraw/zinc/64/56/74/661645674.db2.gz BMFPKGSRAWRNBG-HNNXBMFYSA-N 2 0 352.479 -0.103 20 0 FBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)CC1 ZINC000926293712 661645834 /nfs/dbraw/zinc/64/58/34/661645834.db2.gz BMFPKGSRAWRNBG-OAHLLOKOSA-N 2 0 352.479 -0.103 20 0 FBADRP [NH3+][C@]1(CO)CCCN(C(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)C1 ZINC000926294450 657482785 /nfs/dbraw/zinc/48/27/85/657482785.db2.gz DIYLOFLXGNSRGL-GOSISDBHSA-N 2 0 352.479 -0.225 20 0 FBADRP [NH3+][C@@]1(CO)CCCN(C(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)C1 ZINC000926294452 657482507 /nfs/dbraw/zinc/48/25/07/657482507.db2.gz DIYLOFLXGNSRGL-SFHVURJKSA-N 2 0 352.479 -0.225 20 0 FBADRP O=C(C(=O)N1CCNCC[NH2+]CC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000926296991 657483513 /nfs/dbraw/zinc/48/35/13/657483513.db2.gz FFXJRJQGXIUJSV-UHFFFAOYSA-N 2 0 351.495 -0.515 20 0 FBADRP CC[NH+](CC)CC1CCN(C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)CC1 ZINC000926298375 661646133 /nfs/dbraw/zinc/64/61/33/661646133.db2.gz DTLSXJLSQLQZSG-GOSISDBHSA-N 2 0 354.495 -0.121 20 0 FBADRP CC[NH+](CC)CC1CCN(C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)CC1 ZINC000926298383 661646236 /nfs/dbraw/zinc/64/62/36/661646236.db2.gz DTLSXJLSQLQZSG-SFHVURJKSA-N 2 0 354.495 -0.121 20 0 FBADRP O=C(C(=O)N1CCNCC[NH2+]CC1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000926298915 657484051 /nfs/dbraw/zinc/48/40/51/657484051.db2.gz HCJHBPAZHZKARC-UHFFFAOYSA-N 2 0 351.495 -0.658 20 0 FBADRP [NH3+][C@]1(CO)CCCN(C(=O)C(=O)N2CCC([NH+]3CCCCC3)CC2)C1 ZINC000926299193 661646257 /nfs/dbraw/zinc/64/62/57/661646257.db2.gz QBARTLAJVLQIKL-GOSISDBHSA-N 2 0 352.479 -0.225 20 0 FBADRP [NH3+][C@@]1(CO)CCCN(C(=O)C(=O)N2CCC([NH+]3CCCCC3)CC2)C1 ZINC000926299196 661646077 /nfs/dbraw/zinc/64/60/77/661646077.db2.gz QBARTLAJVLQIKL-SFHVURJKSA-N 2 0 352.479 -0.225 20 0 FBADRP O=C(C(=O)N1CCNCC[NH2+]CC1)N1CC[NH+](C2CCCCC2)CC1 ZINC000926301074 661645973 /nfs/dbraw/zinc/64/59/73/661645973.db2.gz WVAUVFFWVQVSPF-UHFFFAOYSA-N 2 0 351.495 -0.515 20 0 FBADRP [NH3+]CC[C@H]1CCN(C(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000926303572 661646152 /nfs/dbraw/zinc/64/61/52/661646152.db2.gz PUMHISSJVLPEHC-HNNXBMFYSA-N 2 0 352.479 -0.246 20 0 FBADRP [NH3+]CC[C@@H]1CCN(C(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000926303574 661646260 /nfs/dbraw/zinc/64/62/60/661646260.db2.gz PUMHISSJVLPEHC-OAHLLOKOSA-N 2 0 352.479 -0.246 20 0 FBADRP [NH3+][C@]1(CO)CCCN(C(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000926303623 657487603 /nfs/dbraw/zinc/48/76/03/657487603.db2.gz QHCZYGDLPXBPKB-GOSISDBHSA-N 2 0 352.479 -0.367 20 0 FBADRP [NH3+][C@@]1(CO)CCCN(C(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000926303624 657487637 /nfs/dbraw/zinc/48/76/37/657487637.db2.gz QHCZYGDLPXBPKB-SFHVURJKSA-N 2 0 352.479 -0.367 20 0 FBADRP CC[NH+](CC)CC1CCN(C(=O)C(=O)N2CCNCC[NH2+]CC2)CC1 ZINC000926304631 657487150 /nfs/dbraw/zinc/48/71/50/657487150.db2.gz WMZVLJLDKYQDES-UHFFFAOYSA-N 2 0 353.511 -0.412 20 0 FBADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000926309758 657487542 /nfs/dbraw/zinc/48/75/42/657487542.db2.gz DYNHJORLGQZNTM-UHFFFAOYSA-N 2 0 355.527 -0.166 20 0 FBADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000926312397 661645952 /nfs/dbraw/zinc/64/59/52/661645952.db2.gz NVZBHDKEVSOTPE-HNNXBMFYSA-N 2 0 353.511 -0.332 20 0 FBADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000926312398 661646215 /nfs/dbraw/zinc/64/62/15/661646215.db2.gz NVZBHDKEVSOTPE-OAHLLOKOSA-N 2 0 353.511 -0.332 20 0 FBADRP CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)CC1 ZINC000926315206 661646169 /nfs/dbraw/zinc/64/61/69/661646169.db2.gz NTUQZUBWLIGNCU-GOSISDBHSA-N 2 0 354.495 -0.121 20 0 FBADRP CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)CC1 ZINC000926315207 661646042 /nfs/dbraw/zinc/64/60/42/661646042.db2.gz NTUQZUBWLIGNCU-SFHVURJKSA-N 2 0 354.495 -0.121 20 0 FBADRP CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)N2CCNCC[NH2+]CC2)CC1 ZINC000926315755 661646161 /nfs/dbraw/zinc/64/61/61/661646161.db2.gz QRAODSJINLQCKO-UHFFFAOYSA-N 2 0 353.511 -0.412 20 0 FBADRP [NH3+][C@]1(CO)CCCN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)C1 ZINC000926316263 661645991 /nfs/dbraw/zinc/64/59/91/661645991.db2.gz UIDQEUVLADEMAM-CRAIPNDOSA-N 2 0 352.479 -0.225 20 0 FBADRP [NH3+][C@]1(CO)CCCN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)C1 ZINC000926316264 661646065 /nfs/dbraw/zinc/64/60/65/661646065.db2.gz UIDQEUVLADEMAM-MAUKXSAKSA-N 2 0 352.479 -0.225 20 0 FBADRP [NH3+][C@@]1(CO)CCCN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)C1 ZINC000926316265 661646192 /nfs/dbraw/zinc/64/61/92/661646192.db2.gz UIDQEUVLADEMAM-QAPCUYQASA-N 2 0 352.479 -0.225 20 0 FBADRP [NH3+][C@@]1(CO)CCCN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)C1 ZINC000926316266 661646245 /nfs/dbraw/zinc/64/62/45/661646245.db2.gz UIDQEUVLADEMAM-YJBOKZPZSA-N 2 0 352.479 -0.225 20 0 FBADRP O=C(C(=O)N1CCNCC[NH2+]CC1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000926316676 657492405 /nfs/dbraw/zinc/49/24/05/657492405.db2.gz WXDVSJTWYWPWHR-INIZCTEOSA-N 2 0 351.495 -0.515 20 0 FBADRP O=C(C(=O)N1CCNCC[NH2+]CC1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000926316685 657492586 /nfs/dbraw/zinc/49/25/86/657492586.db2.gz WXDVSJTWYWPWHR-MRXNPFEDSA-N 2 0 351.495 -0.515 20 0 FBADRP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N2CCNCC[NH2+]CC2)CC1 ZINC000926316848 661646013 /nfs/dbraw/zinc/64/60/13/661646013.db2.gz XVYNKYLUIRTPRB-UHFFFAOYSA-N 2 0 353.511 -0.413 20 0 FBADRP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)CC1 ZINC000926316892 661646197 /nfs/dbraw/zinc/64/61/97/661646197.db2.gz YLCQVOGDUJHWFH-GOSISDBHSA-N 2 0 354.495 -0.123 20 0 FBADRP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)CC1 ZINC000926316893 661646070 /nfs/dbraw/zinc/64/60/70/661646070.db2.gz YLCQVOGDUJHWFH-SFHVURJKSA-N 2 0 354.495 -0.123 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)C[C@H]1[NH3+] ZINC000926321419 661646456 /nfs/dbraw/zinc/64/64/56/661646456.db2.gz NXCFYJZYMZGDHK-GDBMZVCRSA-N 2 0 351.495 -0.722 20 0 FBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000926321680 661646594 /nfs/dbraw/zinc/64/65/94/661646594.db2.gz AVPAAHYVTBIZIZ-ARFHVFGLSA-N 2 0 352.479 -0.377 20 0 FBADRP O=C(C(=O)N1CCNCC[NH2+]CC1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000926324461 661646335 /nfs/dbraw/zinc/64/63/35/661646335.db2.gz BPLXKHCILDPZSD-INIZCTEOSA-N 2 0 351.495 -0.515 20 0 FBADRP O=C(C(=O)N1CCNCC[NH2+]CC1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000926324462 661646409 /nfs/dbraw/zinc/64/64/09/661646409.db2.gz BPLXKHCILDPZSD-MRXNPFEDSA-N 2 0 351.495 -0.515 20 0 FBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CCC3(CO[C@H](C[NH3+])C3)CC2)C1 ZINC000926326352 661646330 /nfs/dbraw/zinc/64/63/30/661646330.db2.gz QANVMHQKZBQPRU-CABCVRRESA-N 2 0 352.479 -0.105 20 0 FBADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CCC3(CO[C@H](C[NH3+])C3)CC2)C1 ZINC000926326370 661646376 /nfs/dbraw/zinc/64/63/76/661646376.db2.gz QANVMHQKZBQPRU-GJZGRUSLSA-N 2 0 352.479 -0.105 20 0 FBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)C1 ZINC000926326372 661646516 /nfs/dbraw/zinc/64/65/16/661646516.db2.gz QANVMHQKZBQPRU-HUUCEWRRSA-N 2 0 352.479 -0.105 20 0 FBADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)C1 ZINC000926326374 661646352 /nfs/dbraw/zinc/64/63/52/661646352.db2.gz QANVMHQKZBQPRU-LSDHHAIUSA-N 2 0 352.479 -0.105 20 0 FBADRP [NH3+][C@]1(CO)CCCN(C(=O)C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000926326428 661646480 /nfs/dbraw/zinc/64/64/80/661646480.db2.gz PGHBIOZIAHISKE-CRAIPNDOSA-N 2 0 352.479 -0.225 20 0 FBADRP [NH3+][C@]1(CO)CCCN(C(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)C1 ZINC000926326532 661646591 /nfs/dbraw/zinc/64/65/91/661646591.db2.gz OAZDCIZWSHXERK-GOSISDBHSA-N 2 0 352.479 -0.225 20 0 FBADRP [NH3+][C@@]1(CO)CCCN(C(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)C1 ZINC000926326533 657496414 /nfs/dbraw/zinc/49/64/14/657496414.db2.gz OAZDCIZWSHXERK-SFHVURJKSA-N 2 0 352.479 -0.225 20 0 FBADRP [NH3+][C@]1(CO)CCCN(C(=O)C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000926326724 661646381 /nfs/dbraw/zinc/64/63/81/661646381.db2.gz PGHBIOZIAHISKE-MAUKXSAKSA-N 2 0 352.479 -0.225 20 0 FBADRP [NH3+][C@@]1(CO)CCCN(C(=O)C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000926326726 661646502 /nfs/dbraw/zinc/64/65/02/661646502.db2.gz PGHBIOZIAHISKE-QAPCUYQASA-N 2 0 352.479 -0.225 20 0 FBADRP [NH3+][C@@]1(CO)CCCN(C(=O)C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000926326728 661646561 /nfs/dbraw/zinc/64/65/61/661646561.db2.gz PGHBIOZIAHISKE-YJBOKZPZSA-N 2 0 352.479 -0.225 20 0 FBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000926326842 661646403 /nfs/dbraw/zinc/64/64/03/661646403.db2.gz GPRKDJGTSUTESI-HNNXBMFYSA-N 2 0 352.479 -0.103 20 0 FBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000926326843 661646531 /nfs/dbraw/zinc/64/65/31/661646531.db2.gz GPRKDJGTSUTESI-OAHLLOKOSA-N 2 0 352.479 -0.103 20 0 FBADRP O=C(C(=O)N1CCNCC[NH2+]CC1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000926327021 661646362 /nfs/dbraw/zinc/64/63/62/661646362.db2.gz UGLPLVMHIRTXQO-UHFFFAOYSA-N 2 0 351.495 -0.515 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)CC[C@@H]1C[NH3+] ZINC000926328847 661646933 /nfs/dbraw/zinc/64/69/33/661646933.db2.gz TVQOJWLATTYPIZ-BZUAXINKSA-N 2 0 354.495 -0.001 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)CC[C@@H]1C[NH3+] ZINC000926328848 661646789 /nfs/dbraw/zinc/64/67/89/661646789.db2.gz TVQOJWLATTYPIZ-OAGGEKHMSA-N 2 0 354.495 -0.001 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)CC[C@H]1C[NH3+] ZINC000926328849 661646832 /nfs/dbraw/zinc/64/68/32/661646832.db2.gz TVQOJWLATTYPIZ-OWCLPIDISA-N 2 0 354.495 -0.001 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)CC[C@H]1C[NH3+] ZINC000926328850 661646848 /nfs/dbraw/zinc/64/68/48/661646848.db2.gz TVQOJWLATTYPIZ-PMPSAXMXSA-N 2 0 354.495 -0.001 20 0 FBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000926328863 661646782 /nfs/dbraw/zinc/64/67/82/661646782.db2.gz UBZXCVWTYCLKME-ARFHVFGLSA-N 2 0 352.479 -0.234 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C[C@H]1[NH3+] ZINC000926331157 661646801 /nfs/dbraw/zinc/64/68/01/661646801.db2.gz LDIMPNMVVCIICK-FVQBIDKESA-N 2 0 351.495 -0.581 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)C[C@H]1[NH3+] ZINC000926331158 661646838 /nfs/dbraw/zinc/64/68/38/661646838.db2.gz LDIMPNMVVCIICK-VNQPRFMTSA-N 2 0 351.495 -0.581 20 0 FBADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000926331506 661646825 /nfs/dbraw/zinc/64/68/25/661646825.db2.gz AWABNFYWNLCOFN-LSDHHAIUSA-N 2 0 352.479 -0.377 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)CC[C@H]1C[NH3+] ZINC000926331586 661646836 /nfs/dbraw/zinc/64/68/36/661646836.db2.gz CCUYHSBEAVQTDL-CABCVRRESA-N 2 0 354.495 -0.001 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)CC[C@H]1C[NH3+] ZINC000926331587 661646781 /nfs/dbraw/zinc/64/67/81/661646781.db2.gz CCUYHSBEAVQTDL-GJZGRUSLSA-N 2 0 354.495 -0.001 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)CC[C@@H]1C[NH3+] ZINC000926331588 661647269 /nfs/dbraw/zinc/64/72/69/661647269.db2.gz CCUYHSBEAVQTDL-HUUCEWRRSA-N 2 0 354.495 -0.001 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)CC[C@@H]1C[NH3+] ZINC000926331589 657502011 /nfs/dbraw/zinc/50/20/11/657502011.db2.gz CCUYHSBEAVQTDL-LSDHHAIUSA-N 2 0 354.495 -0.001 20 0 FBADRP CN(C[C@@H]1CC[N@H+](C)C1)C(=O)C(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000926331617 661647286 /nfs/dbraw/zinc/64/72/86/661647286.db2.gz HCLWCOPTFBSESW-CABCVRRESA-N 2 0 352.479 -0.247 20 0 FBADRP CN(C[C@H]1CC[N@H+](C)C1)C(=O)C(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000926331618 661647270 /nfs/dbraw/zinc/64/72/70/661647270.db2.gz HCLWCOPTFBSESW-GJZGRUSLSA-N 2 0 352.479 -0.247 20 0 FBADRP CN(C[C@@H]1CC[N@H+](C)C1)C(=O)C(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000926331619 661647307 /nfs/dbraw/zinc/64/73/07/661647307.db2.gz HCLWCOPTFBSESW-HUUCEWRRSA-N 2 0 352.479 -0.247 20 0 FBADRP CN(C[C@H]1CC[N@H+](C)C1)C(=O)C(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000926331620 661647265 /nfs/dbraw/zinc/64/72/65/661647265.db2.gz HCLWCOPTFBSESW-LSDHHAIUSA-N 2 0 352.479 -0.247 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000926331833 657502094 /nfs/dbraw/zinc/50/20/94/657502094.db2.gz TUSDEUUMYWOEJF-GOSISDBHSA-N 3 0 353.511 -0.317 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000926331835 657501876 /nfs/dbraw/zinc/50/18/76/657501876.db2.gz TUSDEUUMYWOEJF-SFHVURJKSA-N 3 0 353.511 -0.317 20 0 FBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CC[C@@H](CC[NH3+])C3)CC2)C1 ZINC000926331983 661647256 /nfs/dbraw/zinc/64/72/56/661647256.db2.gz DBUOSIZPRLXOED-CVEARBPZSA-N 2 0 351.495 -0.578 20 0 FBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CC[C@H](CC[NH3+])C3)CC2)C1 ZINC000926331984 661647261 /nfs/dbraw/zinc/64/72/61/661647261.db2.gz DBUOSIZPRLXOED-HOTGVXAUSA-N 2 0 351.495 -0.578 20 0 FBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CC[C@@H](CC[NH3+])C3)CC2)C1 ZINC000926331985 661647310 /nfs/dbraw/zinc/64/73/10/661647310.db2.gz DBUOSIZPRLXOED-HZPDHXFCSA-N 2 0 351.495 -0.578 20 0 FBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CC[C@H](CC[NH3+])C3)CC2)C1 ZINC000926331986 661647279 /nfs/dbraw/zinc/64/72/79/661647279.db2.gz DBUOSIZPRLXOED-JKSUJKDBSA-N 2 0 351.495 -0.578 20 0 FBADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000926332295 661647278 /nfs/dbraw/zinc/64/72/78/661647278.db2.gz FQUAMISGCCARGT-GOEBONIOSA-N 2 0 352.479 -0.234 20 0 FBADRP C[N@H+](CCO)C1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)CC1 ZINC000926332367 661647263 /nfs/dbraw/zinc/64/72/63/661647263.db2.gz MBEWTVUXMVFFAF-GOSISDBHSA-N 2 0 352.479 -0.354 20 0 FBADRP C[N@H+](CCO)C1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCCC[NH2+]3)CC1 ZINC000926332369 661647226 /nfs/dbraw/zinc/64/72/26/661647226.db2.gz MBEWTVUXMVFFAF-SFHVURJKSA-N 2 0 352.479 -0.354 20 0 FBADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000926333078 661647281 /nfs/dbraw/zinc/64/72/81/661647281.db2.gz NFRUBXKJQHPDJY-KRWDZBQOSA-N 2 0 358.483 -0.885 20 0 FBADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000926333081 661647302 /nfs/dbraw/zinc/64/73/02/661647302.db2.gz NFRUBXKJQHPDJY-QGZVFWFLSA-N 2 0 358.483 -0.885 20 0 FBADRP [NH3+]C[C@@H]1CC2(CO1)CCN(C(=O)C(=O)N1CC[N@@H+]3CCC[C@@H]3C1)CC2 ZINC000926333443 661647238 /nfs/dbraw/zinc/64/72/38/661647238.db2.gz JTSXLODQPHMRFC-CABCVRRESA-N 2 0 350.463 -0.351 20 0 FBADRP [NH3+]C[C@@H]1CC2(CO1)CCN(C(=O)C(=O)N1CC[N@@H+]3CCC[C@H]3C1)CC2 ZINC000926333450 661647202 /nfs/dbraw/zinc/64/72/02/661647202.db2.gz JTSXLODQPHMRFC-GJZGRUSLSA-N 2 0 350.463 -0.351 20 0 FBADRP [NH3+]C[C@H]1CC2(CO1)CCN(C(=O)C(=O)N1CC[N@@H+]3CCC[C@@H]3C1)CC2 ZINC000926333457 661647245 /nfs/dbraw/zinc/64/72/45/661647245.db2.gz JTSXLODQPHMRFC-HUUCEWRRSA-N 2 0 350.463 -0.351 20 0 FBADRP [NH3+]C[C@H]1CC2(CO1)CCN(C(=O)C(=O)N1CC[N@@H+]3CCC[C@H]3C1)CC2 ZINC000926333463 661647288 /nfs/dbraw/zinc/64/72/88/661647288.db2.gz JTSXLODQPHMRFC-LSDHHAIUSA-N 2 0 350.463 -0.351 20 0 FBADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000926335630 661647595 /nfs/dbraw/zinc/64/75/95/661647595.db2.gz AZZDALAIIKEPLT-GOEBONIOSA-N 2 0 352.479 -0.498 20 0 FBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000926336005 661647658 /nfs/dbraw/zinc/64/76/58/661647658.db2.gz VNRAJDOOMGLHLV-JKSUJKDBSA-N 2 0 351.495 -0.707 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)CC[C@H]1C[NH3+] ZINC000926336809 661647512 /nfs/dbraw/zinc/64/75/12/661647512.db2.gz HRQOOGIGNDQEQX-CABCVRRESA-N 2 0 354.495 -0.265 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)CC[C@H]1C[NH3+] ZINC000926336811 661647615 /nfs/dbraw/zinc/64/76/15/661647615.db2.gz HRQOOGIGNDQEQX-GJZGRUSLSA-N 2 0 354.495 -0.265 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)CC[C@@H]1C[NH3+] ZINC000926336812 661647664 /nfs/dbraw/zinc/64/76/64/661647664.db2.gz HRQOOGIGNDQEQX-HUUCEWRRSA-N 2 0 354.495 -0.265 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)CC[C@@H]1C[NH3+] ZINC000926336814 661647563 /nfs/dbraw/zinc/64/75/63/661647563.db2.gz HRQOOGIGNDQEQX-LSDHHAIUSA-N 2 0 354.495 -0.265 20 0 FBADRP [NH3+]CC[C@H]1CCN(C(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)C1 ZINC000926336927 657504356 /nfs/dbraw/zinc/50/43/56/657504356.db2.gz GMTQXAVITIXTFU-HNNXBMFYSA-N 2 0 352.479 -0.246 20 0 FBADRP [NH3+]CC[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)C1 ZINC000926336929 657504189 /nfs/dbraw/zinc/50/41/89/657504189.db2.gz GMTQXAVITIXTFU-OAHLLOKOSA-N 2 0 352.479 -0.246 20 0 FBADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000926337422 661647610 /nfs/dbraw/zinc/64/76/10/661647610.db2.gz OLEVPOVAPFOCGP-LSDHHAIUSA-N 2 0 352.479 -0.641 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC3(CO[C@H](C[NH3+])C3)CC2)C[C@@H]1[NH+](C)C ZINC000926340126 661647987 /nfs/dbraw/zinc/64/79/87/661647987.db2.gz CVQMHGFZNLAPHO-ILXRZTDVSA-N 2 0 352.479 -0.249 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)C[C@@H]1[NH+](C)C ZINC000926340128 661647938 /nfs/dbraw/zinc/64/79/38/661647938.db2.gz CVQMHGFZNLAPHO-KFWWJZLASA-N 2 0 352.479 -0.249 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC3(CO[C@H](C[NH3+])C3)CC2)C[C@H]1[NH+](C)C ZINC000926340131 661647950 /nfs/dbraw/zinc/64/79/50/661647950.db2.gz CVQMHGFZNLAPHO-QLFBSQMISA-N 2 0 352.479 -0.249 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)C[C@H]1[NH+](C)C ZINC000926340134 661647921 /nfs/dbraw/zinc/64/79/21/661647921.db2.gz CVQMHGFZNLAPHO-RBSFLKMASA-N 2 0 352.479 -0.249 20 0 FBADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000926344988 661647830 /nfs/dbraw/zinc/64/78/30/661647830.db2.gz ANDAKURLAZLSIW-UHFFFAOYSA-N 2 0 367.519 -0.340 20 0 FBADRP O=C(C(=O)N1CCNCC[NH2+]CC1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000926345022 657507465 /nfs/dbraw/zinc/50/74/65/657507465.db2.gz AVDHTJHMHCZNBB-INIZCTEOSA-N 2 0 351.495 -0.515 20 0 FBADRP O=C(C(=O)N1CCNCC[NH2+]CC1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000926345029 657507155 /nfs/dbraw/zinc/50/71/55/657507155.db2.gz AVDHTJHMHCZNBB-MRXNPFEDSA-N 2 0 351.495 -0.515 20 0 FBADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000926345282 661647813 /nfs/dbraw/zinc/64/78/13/661647813.db2.gz CTAOEBKYBNXCDN-UHFFFAOYSA-N 2 0 351.451 -0.809 20 0 FBADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000926346159 661647909 /nfs/dbraw/zinc/64/79/09/661647909.db2.gz IMUMGJBVAFECJZ-CABCVRRESA-N 2 0 352.479 -0.105 20 0 FBADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000926346160 661648214 /nfs/dbraw/zinc/64/82/14/661648214.db2.gz IMUMGJBVAFECJZ-GJZGRUSLSA-N 2 0 352.479 -0.105 20 0 FBADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000926346161 661648112 /nfs/dbraw/zinc/64/81/12/661648112.db2.gz IMUMGJBVAFECJZ-HUUCEWRRSA-N 2 0 352.479 -0.105 20 0 FBADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000926346162 661648131 /nfs/dbraw/zinc/64/81/31/661648131.db2.gz IMUMGJBVAFECJZ-LSDHHAIUSA-N 2 0 352.479 -0.105 20 0 FBADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000926346624 661648208 /nfs/dbraw/zinc/64/82/08/661648208.db2.gz KFAYBFKELFWZIL-KRWDZBQOSA-N 2 0 368.503 -0.050 20 0 FBADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000926346625 661648102 /nfs/dbraw/zinc/64/81/02/661648102.db2.gz KFAYBFKELFWZIL-QGZVFWFLSA-N 2 0 368.503 -0.050 20 0 FBADRP [NH3+][C@]1(CO)CCCN(C(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000926347346 661648241 /nfs/dbraw/zinc/64/82/41/661648241.db2.gz NMRCASLMUVLHMZ-CRAIPNDOSA-N 2 0 352.479 -0.225 20 0 FBADRP [NH3+][C@]1(CO)CCCN(C(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000926347347 661648140 /nfs/dbraw/zinc/64/81/40/661648140.db2.gz NMRCASLMUVLHMZ-MAUKXSAKSA-N 2 0 352.479 -0.225 20 0 FBADRP [NH3+][C@@]1(CO)CCCN(C(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000926347348 661648182 /nfs/dbraw/zinc/64/81/82/661648182.db2.gz NMRCASLMUVLHMZ-QAPCUYQASA-N 2 0 352.479 -0.225 20 0 FBADRP [NH3+][C@@]1(CO)CCCN(C(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000926347349 661648120 /nfs/dbraw/zinc/64/81/20/661648120.db2.gz NMRCASLMUVLHMZ-YJBOKZPZSA-N 2 0 352.479 -0.225 20 0 FBADRP C[NH+](C)CCCC1CCN(C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)CC1 ZINC000926347645 661648161 /nfs/dbraw/zinc/64/81/61/661648161.db2.gz HNQUNBUTRKDVRM-GOSISDBHSA-N 2 0 354.495 -0.121 20 0 FBADRP C[NH+](C)CCCC1CCN(C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)CC1 ZINC000926347646 661648124 /nfs/dbraw/zinc/64/81/24/661648124.db2.gz HNQUNBUTRKDVRM-SFHVURJKSA-N 2 0 354.495 -0.121 20 0 FBADRP [NH3+]CC[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000926347972 661648170 /nfs/dbraw/zinc/64/81/70/661648170.db2.gz QDMAMFWSOKLATO-HZPDHXFCSA-N 2 0 352.479 -0.246 20 0 FBADRP [NH3+]CC[C@H]1CCN(C(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000926347973 661648221 /nfs/dbraw/zinc/64/82/21/661648221.db2.gz QDMAMFWSOKLATO-JKSUJKDBSA-N 2 0 352.479 -0.246 20 0 FBADRP C[NH+](C)CCCC1CCN(C(=O)C(=O)N2CCNCC[NH2+]CC2)CC1 ZINC000926348704 661648202 /nfs/dbraw/zinc/64/82/02/661648202.db2.gz OCMXNEUHWZAPAL-UHFFFAOYSA-N 2 0 353.511 -0.412 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C[C@H]1[NH3+] ZINC000926349844 661648484 /nfs/dbraw/zinc/64/84/84/661648484.db2.gz BFQJKYHKPUPHDE-GDBMZVCRSA-N 2 0 352.479 -0.105 20 0 FBADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)C1 ZINC000926350460 661648492 /nfs/dbraw/zinc/64/84/92/661648492.db2.gz BJWHZPRNIHJMSW-CRAIPNDOSA-N 2 0 352.479 -0.511 20 0 FBADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)C1 ZINC000926350461 661648394 /nfs/dbraw/zinc/64/83/94/661648394.db2.gz BJWHZPRNIHJMSW-MAUKXSAKSA-N 2 0 352.479 -0.511 20 0 FBADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)C1 ZINC000926350462 661648457 /nfs/dbraw/zinc/64/84/57/661648457.db2.gz BJWHZPRNIHJMSW-QAPCUYQASA-N 2 0 352.479 -0.511 20 0 FBADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)C1 ZINC000926350463 661648530 /nfs/dbraw/zinc/64/85/30/661648530.db2.gz BJWHZPRNIHJMSW-YJBOKZPZSA-N 2 0 352.479 -0.511 20 0 FBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)C1 ZINC000926351757 661648379 /nfs/dbraw/zinc/64/83/79/661648379.db2.gz KDOPVEHBIVPUIC-OAGGEKHMSA-N 2 0 354.495 -0.001 20 0 FBADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CCNCC[NH2+]CC2)C1 ZINC000926353312 661648506 /nfs/dbraw/zinc/64/85/06/661648506.db2.gz RTQIPTAIJCIQFH-INIZCTEOSA-N 2 0 351.495 -0.802 20 0 FBADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CCNCC[NH2+]CC2)C1 ZINC000926353313 661648466 /nfs/dbraw/zinc/64/84/66/661648466.db2.gz RTQIPTAIJCIQFH-MRXNPFEDSA-N 2 0 351.495 -0.802 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)C[C@H]1[NH3+] ZINC000926353498 661648463 /nfs/dbraw/zinc/64/84/63/661648463.db2.gz KOHWHUNBECMJIG-FPCVCCKLSA-N 2 0 351.495 -0.724 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)C[C@H]1[NH3+] ZINC000926353499 661648537 /nfs/dbraw/zinc/64/85/37/661648537.db2.gz KOHWHUNBECMJIG-KLHDSHLOSA-N 2 0 351.495 -0.724 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)C[C@H]1[NH3+] ZINC000926353500 661648539 /nfs/dbraw/zinc/64/85/39/661648539.db2.gz KOHWHUNBECMJIG-QKPAOTATSA-N 2 0 351.495 -0.724 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)C[C@H]1[NH3+] ZINC000926353501 661648437 /nfs/dbraw/zinc/64/84/37/661648437.db2.gz KOHWHUNBECMJIG-QXSJWSMHSA-N 2 0 351.495 -0.724 20 0 FBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000926359778 661648783 /nfs/dbraw/zinc/64/87/83/661648783.db2.gz KSKCHZYTXYINHP-HNNXBMFYSA-N 2 0 352.479 -0.105 20 0 FBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000926359781 661649184 /nfs/dbraw/zinc/64/91/84/661649184.db2.gz KSKCHZYTXYINHP-OAHLLOKOSA-N 2 0 352.479 -0.105 20 0 FBADRP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N3CCC[C@]([NH3+])(CO)C3)C2)CC1 ZINC000926360852 661649181 /nfs/dbraw/zinc/64/91/81/661649181.db2.gz JYGSSLRVEFWMGM-CRAIPNDOSA-N 2 0 352.479 -0.511 20 0 FBADRP C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)N3CCC[C@]([NH3+])(CO)C3)C2)CC1 ZINC000926360854 661649098 /nfs/dbraw/zinc/64/90/98/661649098.db2.gz JYGSSLRVEFWMGM-MAUKXSAKSA-N 2 0 352.479 -0.511 20 0 FBADRP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N3CCC[C@@]([NH3+])(CO)C3)C2)CC1 ZINC000926360857 661649140 /nfs/dbraw/zinc/64/91/40/661649140.db2.gz JYGSSLRVEFWMGM-QAPCUYQASA-N 2 0 352.479 -0.511 20 0 FBADRP C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)N3CCC[C@@]([NH3+])(CO)C3)C2)CC1 ZINC000926360860 661649194 /nfs/dbraw/zinc/64/91/94/661649194.db2.gz JYGSSLRVEFWMGM-YJBOKZPZSA-N 2 0 352.479 -0.511 20 0 FBADRP C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)N3CCNCC[NH2+]CC3)C2)CC1 ZINC000926363447 661649172 /nfs/dbraw/zinc/64/91/72/661649172.db2.gz YLPZMLPXQBSNAJ-INIZCTEOSA-N 2 0 351.495 -0.802 20 0 FBADRP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N3CCNCC[NH2+]CC3)C2)CC1 ZINC000926363449 661649264 /nfs/dbraw/zinc/64/92/64/661649264.db2.gz YLPZMLPXQBSNAJ-MRXNPFEDSA-N 2 0 351.495 -0.802 20 0 FBADRP [NH3+]CC[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000926375555 661649403 /nfs/dbraw/zinc/64/94/03/661649403.db2.gz QDMAMFWSOKLATO-CVEARBPZSA-N 2 0 352.479 -0.246 20 0 FBADRP [NH3+]CC[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000926375556 661649458 /nfs/dbraw/zinc/64/94/58/661649458.db2.gz QDMAMFWSOKLATO-HOTGVXAUSA-N 2 0 352.479 -0.246 20 0 FBADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000926380664 661649750 /nfs/dbraw/zinc/64/97/50/661649750.db2.gz OBLQRAFWDSBAJI-UHFFFAOYSA-N 2 0 367.519 -0.340 20 0 FBADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000926381214 661649824 /nfs/dbraw/zinc/64/98/24/661649824.db2.gz SGDJXOJTMILDKP-KRWDZBQOSA-N 2 0 368.503 -0.050 20 0 FBADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000926381215 661649773 /nfs/dbraw/zinc/64/97/73/661649773.db2.gz SGDJXOJTMILDKP-QGZVFWFLSA-N 2 0 368.503 -0.050 20 0 FBADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000926383725 661649758 /nfs/dbraw/zinc/64/97/58/661649758.db2.gz VCIIWQILRQUCCG-CABCVRRESA-N 2 0 352.479 -0.105 20 0 FBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000926383726 661649705 /nfs/dbraw/zinc/64/97/05/661649705.db2.gz VCIIWQILRQUCCG-GJZGRUSLSA-N 2 0 352.479 -0.105 20 0 FBADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000926383727 661650062 /nfs/dbraw/zinc/65/00/62/661650062.db2.gz VCIIWQILRQUCCG-HUUCEWRRSA-N 2 0 352.479 -0.105 20 0 FBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000926383728 661650101 /nfs/dbraw/zinc/65/01/01/661650101.db2.gz VCIIWQILRQUCCG-LSDHHAIUSA-N 2 0 352.479 -0.105 20 0 FBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CCO1 ZINC000926385881 661650112 /nfs/dbraw/zinc/65/01/12/661650112.db2.gz ADUOFNBQBSEYKN-HRCADAONSA-N 2 0 352.479 -0.234 20 0 FBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CCO1 ZINC000926387807 661650073 /nfs/dbraw/zinc/65/00/73/661650073.db2.gz KFNIAMOMTYXBFO-ARFHVFGLSA-N 2 0 352.479 -0.377 20 0 FBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CCO1 ZINC000926387808 661650095 /nfs/dbraw/zinc/65/00/95/661650095.db2.gz KFNIAMOMTYXBFO-XHSDSOJGSA-N 2 0 352.479 -0.377 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)CC[C@@H]1C[NH3+] ZINC000926388449 661650119 /nfs/dbraw/zinc/65/01/19/661650119.db2.gz RDLZMFWANCTBNL-BZUAXINKSA-N 2 0 354.495 -0.001 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)CC[C@@H]1C[NH3+] ZINC000926388450 661650120 /nfs/dbraw/zinc/65/01/20/661650120.db2.gz RDLZMFWANCTBNL-OAGGEKHMSA-N 2 0 354.495 -0.001 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)CC[C@H]1C[NH3+] ZINC000926388451 661650030 /nfs/dbraw/zinc/65/00/30/661650030.db2.gz RDLZMFWANCTBNL-OWCLPIDISA-N 2 0 354.495 -0.001 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)CC[C@H]1C[NH3+] ZINC000926388452 661649988 /nfs/dbraw/zinc/64/99/88/661649988.db2.gz RDLZMFWANCTBNL-PMPSAXMXSA-N 2 0 354.495 -0.001 20 0 FBADRP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CC[C@H](CC[NH3+])C2)CC1 ZINC000926390713 661650423 /nfs/dbraw/zinc/65/04/23/661650423.db2.gz HHOPOVWETFJMKS-HNNXBMFYSA-N 2 0 352.479 -0.103 20 0 FBADRP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)CC1 ZINC000926390714 661650405 /nfs/dbraw/zinc/65/04/05/661650405.db2.gz HHOPOVWETFJMKS-OAHLLOKOSA-N 2 0 352.479 -0.103 20 0 FBADRP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)N2CCNCC[NH2+]CC2)CC1 ZINC000926396467 661650586 /nfs/dbraw/zinc/65/05/86/661650586.db2.gz GDJKEVIDCWKJBT-UHFFFAOYSA-N 2 0 351.495 -0.515 20 0 FBADRP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)CC1 ZINC000926396819 661650672 /nfs/dbraw/zinc/65/06/72/661650672.db2.gz HMTFNQJUTGNRLV-KRWDZBQOSA-N 2 0 352.479 -0.225 20 0 FBADRP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)CC1 ZINC000926396823 661650596 /nfs/dbraw/zinc/65/05/96/661650596.db2.gz HMTFNQJUTGNRLV-QGZVFWFLSA-N 2 0 352.479 -0.225 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](CC[NH3+])C2)C[C@H]1C[NH+](C)C ZINC000926403710 661650646 /nfs/dbraw/zinc/65/06/46/661650646.db2.gz CGNWTROYBOVHIC-ARFHVFGLSA-N 3 0 353.511 -0.619 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)C[C@H]1C[NH+](C)C ZINC000926403713 661650671 /nfs/dbraw/zinc/65/06/71/661650671.db2.gz CGNWTROYBOVHIC-BZUAXINKSA-N 3 0 353.511 -0.619 20 0 FBADRP CN(CCCC[NH+]1CCCCC1)C(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000926407020 657534301 /nfs/dbraw/zinc/53/43/01/657534301.db2.gz WGODAJBBNAQYEZ-UHFFFAOYSA-N 2 0 353.511 -0.268 20 0 FBADRP C[NH+]1CCC2(CCN(C(=O)C(=O)N3CCNCC[NH2+]CC3)CC2)CC1 ZINC000926408905 661651023 /nfs/dbraw/zinc/65/10/23/661651023.db2.gz UGBLHNJYQFQONE-UHFFFAOYSA-N 2 0 351.495 -0.658 20 0 FBADRP C[NH+]1CCC2(CCN(C(=O)C(=O)N3CCC[C@]([NH3+])(CO)C3)CC2)CC1 ZINC000926409121 661650902 /nfs/dbraw/zinc/65/09/02/661650902.db2.gz FXDUCKQCBHZAPO-GOSISDBHSA-N 2 0 352.479 -0.367 20 0 FBADRP C[NH+]1CCC2(CCN(C(=O)C(=O)N3CCC[C@@]([NH3+])(CO)C3)CC2)CC1 ZINC000926409123 661651052 /nfs/dbraw/zinc/65/10/52/661651052.db2.gz FXDUCKQCBHZAPO-SFHVURJKSA-N 2 0 352.479 -0.367 20 0 FBADRP CC1([NH+]2CCCC2)CCN(C(=O)C(=O)N2CCNCC[NH2+]CC2)CC1 ZINC000926409665 661650887 /nfs/dbraw/zinc/65/08/87/661650887.db2.gz HCBXOYBJYFZCNP-UHFFFAOYSA-N 2 0 351.495 -0.515 20 0 FBADRP CC1([NH+]2CCCC2)CCN(C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)CC1 ZINC000926412952 661650997 /nfs/dbraw/zinc/65/09/97/661650997.db2.gz RLWLYZNUJYAJHV-GOSISDBHSA-N 2 0 352.479 -0.225 20 0 FBADRP CC1([NH+]2CCCC2)CCN(C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)CC1 ZINC000926412953 661650936 /nfs/dbraw/zinc/65/09/36/661650936.db2.gz RLWLYZNUJYAJHV-SFHVURJKSA-N 2 0 352.479 -0.225 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C)CC[C@H]1C[NH3+] ZINC000926416047 657540906 /nfs/dbraw/zinc/54/09/06/657540906.db2.gz MIKVOTSWXQHGPM-CVEARBPZSA-N 2 0 355.527 -0.228 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C)CC[C@H]1C[NH3+] ZINC000926416048 657540723 /nfs/dbraw/zinc/54/07/23/657540723.db2.gz MIKVOTSWXQHGPM-HOTGVXAUSA-N 2 0 355.527 -0.228 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C)CC[C@@H]1C[NH3+] ZINC000926416049 657540928 /nfs/dbraw/zinc/54/09/28/657540928.db2.gz MIKVOTSWXQHGPM-HZPDHXFCSA-N 2 0 355.527 -0.228 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C)CC[C@@H]1C[NH3+] ZINC000926416050 657540957 /nfs/dbraw/zinc/54/09/57/657540957.db2.gz MIKVOTSWXQHGPM-JKSUJKDBSA-N 2 0 355.527 -0.228 20 0 FBADRP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CC[C@]3(C2)CCCC[NH2+]3)[N@H+](C)C1 ZINC000926439262 661651701 /nfs/dbraw/zinc/65/17/01/661651701.db2.gz GAZZJHGRHDRZHD-MPGHIAIKSA-N 2 0 352.479 -0.092 20 0 FBADRP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)[N@H+](C)C1 ZINC000926439263 661651792 /nfs/dbraw/zinc/65/17/92/661651792.db2.gz GAZZJHGRHDRZHD-RLFYNMQTSA-N 2 0 352.479 -0.092 20 0 FBADRP CCO[C@H](CNC(=O)N1C[C@@H](n2ccnn2)[C@@H]([NH+](C)C)C1)C[NH+](C)C ZINC000926854879 661654452 /nfs/dbraw/zinc/65/44/52/661654452.db2.gz PNBGTJMCVPYVIY-QLFBSQMISA-N 2 0 353.471 -0.259 20 0 FBADRP CCO[C@@H](CNC(=O)N1C[C@@H](n2ccnn2)[C@@H]([NH+](C)C)C1)C[NH+](C)C ZINC000926854882 661654363 /nfs/dbraw/zinc/65/43/63/661654363.db2.gz PNBGTJMCVPYVIY-SOUVJXGZSA-N 2 0 353.471 -0.259 20 0 FBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cn1 ZINC000927841161 661657540 /nfs/dbraw/zinc/65/75/40/661657540.db2.gz CSYUESODMZLDBC-GHMZBOCLSA-N 2 0 362.356 -0.269 20 0 FBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)n1 ZINC000927846408 661657649 /nfs/dbraw/zinc/65/76/49/661657649.db2.gz PBDYCCORMBALEJ-NXEZZACHSA-N 2 0 362.356 -0.269 20 0 FBADRP CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC000929198492 661663552 /nfs/dbraw/zinc/66/35/52/661663552.db2.gz OFPGELFPXKPTGQ-CVEARBPZSA-N 2 0 352.479 -0.356 20 0 FBADRP CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC000929198493 661663510 /nfs/dbraw/zinc/66/35/10/661663510.db2.gz OFPGELFPXKPTGQ-HOTGVXAUSA-N 2 0 352.479 -0.356 20 0 FBADRP CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC000929198494 661663444 /nfs/dbraw/zinc/66/34/44/661663444.db2.gz OFPGELFPXKPTGQ-HZPDHXFCSA-N 2 0 352.479 -0.356 20 0 FBADRP CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC000929198495 661663580 /nfs/dbraw/zinc/66/35/80/661663580.db2.gz OFPGELFPXKPTGQ-JKSUJKDBSA-N 2 0 352.479 -0.356 20 0 FBADRP CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)CC1 ZINC000929198566 661663543 /nfs/dbraw/zinc/66/35/43/661663543.db2.gz RENZQGUCDCKDFD-INIZCTEOSA-N 2 0 352.479 -0.044 20 0 FBADRP CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)CC1 ZINC000929198800 661663564 /nfs/dbraw/zinc/66/35/64/661663564.db2.gz RENZQGUCDCKDFD-MRXNPFEDSA-N 2 0 352.479 -0.044 20 0 FBADRP C[NH+]1CCC2(CCN2C(=O)C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000929427335 661665686 /nfs/dbraw/zinc/66/56/86/661665686.db2.gz IDTFLIQOEUBFQJ-UHFFFAOYSA-N 2 0 352.479 -0.088 20 0 FBADRP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)NCCCC[NH+]3CCOCC3)C[C@]2(C)C1 ZINC000929428010 661665821 /nfs/dbraw/zinc/66/58/21/661665821.db2.gz PAEDIOAJCIFABE-QAPCUYQASA-N 2 0 352.479 -0.375 20 0 FBADRP CCO[C@@H](CNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1)C[NH+](C)C ZINC000929464710 661666126 /nfs/dbraw/zinc/66/61/26/661666126.db2.gz HKMCIZMASCIAQX-BBRMVZONSA-N 2 0 360.524 -0.377 20 0 FBADRP CCO[C@H](CNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1)C[NH+](C)C ZINC000929464711 661665997 /nfs/dbraw/zinc/66/59/97/661665997.db2.gz HKMCIZMASCIAQX-CJNGLKHVSA-N 2 0 360.524 -0.377 20 0 FBADRP CCO[C@H](CNC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1)C[NH+](C)C ZINC000929464712 661666040 /nfs/dbraw/zinc/66/60/40/661666040.db2.gz HKMCIZMASCIAQX-CZUORRHYSA-N 2 0 360.524 -0.377 20 0 FBADRP CCO[C@@H](CNC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1)C[NH+](C)C ZINC000929464713 661666165 /nfs/dbraw/zinc/66/61/65/661666165.db2.gz HKMCIZMASCIAQX-XJKSGUPXSA-N 2 0 360.524 -0.377 20 0 FBADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)CCSC1 ZINC000929465077 661666042 /nfs/dbraw/zinc/66/60/42/661666042.db2.gz MUCDLMLMAFXMOR-IAOVAPTHSA-N 2 0 354.520 -0.050 20 0 FBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)CCSC1 ZINC000929465078 661666076 /nfs/dbraw/zinc/66/60/76/661666076.db2.gz MUCDLMLMAFXMOR-XKQJLSEDSA-N 2 0 354.520 -0.050 20 0 FBADRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H](O)C3(O)CCOCC3)cn2)CC1 ZINC000929586252 661667786 /nfs/dbraw/zinc/66/77/86/661667786.db2.gz LBORRHQMYPQUHF-INIZCTEOSA-N 2 0 350.463 -0.175 20 0 FBADRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H](O)C3(O)CCOCC3)cn2)CC1 ZINC000929586254 661667836 /nfs/dbraw/zinc/66/78/36/661667836.db2.gz LBORRHQMYPQUHF-MRXNPFEDSA-N 2 0 350.463 -0.175 20 0 FBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000929628531 661668113 /nfs/dbraw/zinc/66/81/13/661668113.db2.gz TUOOYKJVMBOGOX-ARFHVFGLSA-N 2 0 354.495 -0.110 20 0 FBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000929628532 661668097 /nfs/dbraw/zinc/66/80/97/661668097.db2.gz TUOOYKJVMBOGOX-HRCADAONSA-N 2 0 354.495 -0.110 20 0 FBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000929628533 661668068 /nfs/dbraw/zinc/66/80/68/661668068.db2.gz TUOOYKJVMBOGOX-JYJNAYRXSA-N 2 0 354.495 -0.110 20 0 FBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000929628534 661668041 /nfs/dbraw/zinc/66/80/41/661668041.db2.gz TUOOYKJVMBOGOX-XHSDSOJGSA-N 2 0 354.495 -0.110 20 0 FBADRP COCC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)CC1 ZINC000929645847 661668062 /nfs/dbraw/zinc/66/80/62/661668062.db2.gz LJNZEUKHWYOJDZ-KBXCAEBGSA-N 2 0 352.479 -0.377 20 0 FBADRP O=C(N[C@@H]1CC[NH+](C2CC2)C1)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000929746565 661669046 /nfs/dbraw/zinc/66/90/46/661669046.db2.gz FXONSMTXVUZXOG-BMFZPTHFSA-N 2 0 350.463 -0.603 20 0 FBADRP O=C(N[C@@H]1CC[NH+](C2CC2)C1)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000929746566 661669084 /nfs/dbraw/zinc/66/90/84/661669084.db2.gz FXONSMTXVUZXOG-FVQBIDKESA-N 2 0 350.463 -0.603 20 0 FBADRP O=C(N[C@@H]1CC[NH+](C2CC2)C1)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000929746567 661668905 /nfs/dbraw/zinc/66/89/05/661668905.db2.gz FXONSMTXVUZXOG-KBMXLJTQSA-N 2 0 350.463 -0.603 20 0 FBADRP O=C(N[C@@H]1CC[NH+](C2CC2)C1)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000929746568 661669012 /nfs/dbraw/zinc/66/90/12/661669012.db2.gz FXONSMTXVUZXOG-VNQPRFMTSA-N 2 0 350.463 -0.603 20 0 FBADRP O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000929750438 661668842 /nfs/dbraw/zinc/66/88/42/661668842.db2.gz XAKKXCPIGQECGF-BBRMVZONSA-N 2 0 350.463 -0.291 20 0 FBADRP O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000929750439 661668978 /nfs/dbraw/zinc/66/89/78/661668978.db2.gz XAKKXCPIGQECGF-CJNGLKHVSA-N 2 0 350.463 -0.291 20 0 FBADRP O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000929750440 661669092 /nfs/dbraw/zinc/66/90/92/661669092.db2.gz XAKKXCPIGQECGF-CZUORRHYSA-N 2 0 350.463 -0.291 20 0 FBADRP O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000929750441 661668932 /nfs/dbraw/zinc/66/89/32/661668932.db2.gz XAKKXCPIGQECGF-XJKSGUPXSA-N 2 0 350.463 -0.291 20 0 FBADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[NH+]2CCO ZINC000929868026 661670085 /nfs/dbraw/zinc/67/00/85/661670085.db2.gz SLOUDIIXYVHXFS-CVEARBPZSA-N 2 0 354.495 -0.108 20 0 FBADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[NH+]2CCO ZINC000929868028 661670129 /nfs/dbraw/zinc/67/01/29/661670129.db2.gz SLOUDIIXYVHXFS-HOTGVXAUSA-N 2 0 354.495 -0.108 20 0 FBADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[NH+]2CCO ZINC000929868030 661670265 /nfs/dbraw/zinc/67/02/65/661670265.db2.gz SLOUDIIXYVHXFS-HZPDHXFCSA-N 2 0 354.495 -0.108 20 0 FBADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[NH+]2CCO ZINC000929868032 661670068 /nfs/dbraw/zinc/67/00/68/661670068.db2.gz SLOUDIIXYVHXFS-JKSUJKDBSA-N 2 0 354.495 -0.108 20 0 FBADRP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)NC[C@@H]3C[NH+]4CCC[C@@H]4CO3)C[C@]2(C)C1 ZINC000929879543 661670499 /nfs/dbraw/zinc/67/04/99/661670499.db2.gz AWGOFENXTRJOCO-ADAWSYLGSA-N 2 0 350.463 -0.624 20 0 FBADRP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)NC[C@H]3C[NH+]4CCC[C@@H]4CO3)C[C@]2(C)C1 ZINC000929879544 661670506 /nfs/dbraw/zinc/67/05/06/661670506.db2.gz AWGOFENXTRJOCO-BSXFFOKHSA-N 2 0 350.463 -0.624 20 0 FBADRP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)NC[C@@H]3C[NH+]4CCC[C@H]4CO3)C[C@]2(C)C1 ZINC000929879547 661670545 /nfs/dbraw/zinc/67/05/45/661670545.db2.gz AWGOFENXTRJOCO-FSZRXZPDSA-N 2 0 350.463 -0.624 20 0 FBADRP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)NC[C@H]3C[NH+]4CCC[C@H]4CO3)C[C@]2(C)C1 ZINC000929879550 661670481 /nfs/dbraw/zinc/67/04/81/661670481.db2.gz AWGOFENXTRJOCO-LLDVTBCESA-N 2 0 350.463 -0.624 20 0 FBADRP CCO[C@H](CNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C[NH+](C)C ZINC000929881045 661670650 /nfs/dbraw/zinc/67/06/50/661670650.db2.gz KKTQJKXAPLWPPI-KFWWJZLASA-N 2 0 356.467 -0.951 20 0 FBADRP CCO[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C[NH+](C)C ZINC000929881046 661670572 /nfs/dbraw/zinc/67/05/72/661670572.db2.gz KKTQJKXAPLWPPI-RBSFLKMASA-N 2 0 356.467 -0.951 20 0 FBADRP CCO[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C[NH+](C)C ZINC000929881047 661670492 /nfs/dbraw/zinc/67/04/92/661670492.db2.gz KKTQJKXAPLWPPI-RRFJBIMHSA-N 2 0 356.467 -0.951 20 0 FBADRP CCO[C@H](CNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C[NH+](C)C ZINC000929881048 661670627 /nfs/dbraw/zinc/67/06/27/661670627.db2.gz KKTQJKXAPLWPPI-ZNMIVQPWSA-N 2 0 356.467 -0.951 20 0 FBADRP C[NH+]1CCC2(CCN2C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000929881477 661670495 /nfs/dbraw/zinc/67/04/95/661670495.db2.gz MRQUZOPNZCXIRB-CABCVRRESA-N 2 0 350.463 -0.338 20 0 FBADRP C[NH+]1CCC2(CCN2C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000929881478 661670620 /nfs/dbraw/zinc/67/06/20/661670620.db2.gz MRQUZOPNZCXIRB-GJZGRUSLSA-N 2 0 350.463 -0.338 20 0 FBADRP C[NH+]1CCC2(CCN2C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000929881479 661670539 /nfs/dbraw/zinc/67/05/39/661670539.db2.gz MRQUZOPNZCXIRB-HUUCEWRRSA-N 2 0 350.463 -0.338 20 0 FBADRP C[NH+]1CCC2(CCN2C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000929881480 661670477 /nfs/dbraw/zinc/67/04/77/661670477.db2.gz MRQUZOPNZCXIRB-LSDHHAIUSA-N 2 0 350.463 -0.338 20 0 FBADRP CC1(C)CC[N@H+](CCNC(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000929881765 661670998 /nfs/dbraw/zinc/67/09/98/661670998.db2.gz OATLBIFZMVQVTF-CABCVRRESA-N 2 0 352.479 -0.186 20 0 FBADRP CC1(C)CC[N@H+](CCNC(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000929881766 661670937 /nfs/dbraw/zinc/67/09/37/661670937.db2.gz OATLBIFZMVQVTF-GJZGRUSLSA-N 2 0 352.479 -0.186 20 0 FBADRP CC1(C)CC[N@H+](CCNC(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000929881767 661670791 /nfs/dbraw/zinc/67/07/91/661670791.db2.gz OATLBIFZMVQVTF-HUUCEWRRSA-N 2 0 352.479 -0.186 20 0 FBADRP CC1(C)CC[N@H+](CCNC(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000929881768 661671030 /nfs/dbraw/zinc/67/10/30/661671030.db2.gz OATLBIFZMVQVTF-LSDHHAIUSA-N 2 0 352.479 -0.186 20 0 FBADRP COCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1CC[NH+]1C1CCOCC1 ZINC000929894447 661671407 /nfs/dbraw/zinc/67/14/07/661671407.db2.gz JUVOUQZMXWKMAY-HNNXBMFYSA-N 2 0 356.467 -0.950 20 0 FBADRP COCC[N@H+](C)CCNC(=O)C(=O)NC[C@H]1CC[NH+]1C1CCOCC1 ZINC000929894450 661671454 /nfs/dbraw/zinc/67/14/54/661671454.db2.gz JUVOUQZMXWKMAY-OAHLLOKOSA-N 2 0 356.467 -0.950 20 0 FBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[NH+]2CCO ZINC000929928955 661671841 /nfs/dbraw/zinc/67/18/41/661671841.db2.gz GXTIQYPUUBSQGP-ARFHVFGLSA-N 2 0 354.495 -0.110 20 0 FBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[NH+]2CCO ZINC000929928957 661671811 /nfs/dbraw/zinc/67/18/11/661671811.db2.gz GXTIQYPUUBSQGP-HRCADAONSA-N 2 0 354.495 -0.110 20 0 FBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[NH+]2CCO ZINC000929928958 661671850 /nfs/dbraw/zinc/67/18/50/661671850.db2.gz GXTIQYPUUBSQGP-JYJNAYRXSA-N 2 0 354.495 -0.110 20 0 FBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[NH+]2CCO ZINC000929928960 661671857 /nfs/dbraw/zinc/67/18/57/661671857.db2.gz GXTIQYPUUBSQGP-XHSDSOJGSA-N 2 0 354.495 -0.110 20 0 FBADRP CC[N@H+](CCNC(=O)C(=O)NC[C@@H]1CC[NH+]1C1CCOCC1)C1CC1 ZINC000929932877 661672253 /nfs/dbraw/zinc/67/22/53/661672253.db2.gz AXPHKKYRUOWISP-INIZCTEOSA-N 2 0 352.479 -0.044 20 0 FBADRP CC[N@H+](CCNC(=O)C(=O)NC[C@H]1CC[NH+]1C1CCOCC1)C1CC1 ZINC000929932880 661672272 /nfs/dbraw/zinc/67/22/72/661672272.db2.gz AXPHKKYRUOWISP-MRXNPFEDSA-N 2 0 352.479 -0.044 20 0 FBADRP CC[N@H+](CCNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[NH+]2CCO)C1CC1 ZINC000929935578 661672242 /nfs/dbraw/zinc/67/22/42/661672242.db2.gz OKZZEAFTJAUQDN-CVEARBPZSA-N 2 0 352.479 -0.356 20 0 FBADRP CC[N@H+](CCNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[NH+]2CCO)C1CC1 ZINC000929935582 661672263 /nfs/dbraw/zinc/67/22/63/661672263.db2.gz OKZZEAFTJAUQDN-HOTGVXAUSA-N 2 0 352.479 -0.356 20 0 FBADRP CC[N@H+](CCNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[NH+]2CCO)C1CC1 ZINC000929935585 661672231 /nfs/dbraw/zinc/67/22/31/661672231.db2.gz OKZZEAFTJAUQDN-HZPDHXFCSA-N 2 0 352.479 -0.356 20 0 FBADRP CC[N@H+](CCNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[NH+]2CCO)C1CC1 ZINC000929935587 661672124 /nfs/dbraw/zinc/67/21/24/661672124.db2.gz OKZZEAFTJAUQDN-JKSUJKDBSA-N 2 0 352.479 -0.356 20 0 FBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000929947421 661672037 /nfs/dbraw/zinc/67/20/37/661672037.db2.gz FOUUXDUHEHXJEL-HDMKZQKVSA-N 2 0 352.479 -0.377 20 0 FBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000929947422 661672157 /nfs/dbraw/zinc/67/21/57/661672157.db2.gz FOUUXDUHEHXJEL-RLFYNMQTSA-N 2 0 352.479 -0.377 20 0 FBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCC12CC[NH+](C)CC2 ZINC000929947684 661672027 /nfs/dbraw/zinc/67/20/27/661672027.db2.gz HABVEIAOQNTDGS-HNNXBMFYSA-N 2 0 352.479 -0.090 20 0 FBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC12CC[NH+](C)CC2 ZINC000929947685 661672220 /nfs/dbraw/zinc/67/22/20/661672220.db2.gz HABVEIAOQNTDGS-OAHLLOKOSA-N 2 0 352.479 -0.090 20 0 FBADRP C[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1)[NH+](C)C1CC1 ZINC000929958271 661672482 /nfs/dbraw/zinc/67/24/82/661672482.db2.gz DKOCWVKEKFONKI-BBRMVZONSA-N 2 0 352.479 -0.045 20 0 FBADRP C[C@H](CNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1)[NH+](C)C1CC1 ZINC000929958272 661672408 /nfs/dbraw/zinc/67/24/08/661672408.db2.gz DKOCWVKEKFONKI-CJNGLKHVSA-N 2 0 352.479 -0.045 20 0 FBADRP C[C@H](CNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1)[NH+](C)C1CC1 ZINC000929958273 661672505 /nfs/dbraw/zinc/67/25/05/661672505.db2.gz DKOCWVKEKFONKI-CZUORRHYSA-N 2 0 352.479 -0.045 20 0 FBADRP C[C@@H](CNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1)[NH+](C)C1CC1 ZINC000929958274 661672581 /nfs/dbraw/zinc/67/25/81/661672581.db2.gz DKOCWVKEKFONKI-XJKSGUPXSA-N 2 0 352.479 -0.045 20 0 FBADRP C[C@H](CNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO)[NH+](C)C1CC1 ZINC000929958629 661672609 /nfs/dbraw/zinc/67/26/09/661672609.db2.gz IDSDJNOKXWBNRA-BMFZPTHFSA-N 2 0 352.479 -0.357 20 0 FBADRP C[C@H](CNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO)[NH+](C)C1CC1 ZINC000929958631 661672451 /nfs/dbraw/zinc/67/24/51/661672451.db2.gz IDSDJNOKXWBNRA-FVQBIDKESA-N 2 0 352.479 -0.357 20 0 FBADRP C[C@H](CNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO)[NH+](C)C1CC1 ZINC000929958633 661672566 /nfs/dbraw/zinc/67/25/66/661672566.db2.gz IDSDJNOKXWBNRA-KBMXLJTQSA-N 2 0 352.479 -0.357 20 0 FBADRP C[C@H](CNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO)[NH+](C)C1CC1 ZINC000929958635 661672430 /nfs/dbraw/zinc/67/24/30/661672430.db2.gz IDSDJNOKXWBNRA-VNQPRFMTSA-N 2 0 352.479 -0.357 20 0 FBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[NH+]3CCO)CC[N@@H+]1C ZINC000930149039 661675316 /nfs/dbraw/zinc/67/53/16/661675316.db2.gz XLEBEXHRLGFXLR-FPCVCCKLSA-N 2 0 352.479 -0.357 20 0 FBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[NH+]3CCO)CC[N@@H+]1C ZINC000930149040 661675405 /nfs/dbraw/zinc/67/54/05/661675405.db2.gz XLEBEXHRLGFXLR-KLHDSHLOSA-N 2 0 352.479 -0.357 20 0 FBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@H]3[C@H]2CCC[NH+]3CCO)CC[N@@H+]1C ZINC000930149041 661675280 /nfs/dbraw/zinc/67/52/80/661675280.db2.gz XLEBEXHRLGFXLR-LVQVYYBASA-N 2 0 352.479 -0.357 20 0 FBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[NH+]3CCO)CC[N@@H+]1C ZINC000930149042 661675188 /nfs/dbraw/zinc/67/51/88/661675188.db2.gz XLEBEXHRLGFXLR-WCVJEAGWSA-N 2 0 352.479 -0.357 20 0 FBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000930756423 661682008 /nfs/dbraw/zinc/68/20/08/661682008.db2.gz XGYBFFZGQBHXLR-BZUAXINKSA-N 2 0 354.495 -0.110 20 0 FBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000930756424 661681975 /nfs/dbraw/zinc/68/19/75/661681975.db2.gz XGYBFFZGQBHXLR-OAGGEKHMSA-N 2 0 354.495 -0.110 20 0 FBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000930756425 661681906 /nfs/dbraw/zinc/68/19/06/661681906.db2.gz XGYBFFZGQBHXLR-OWCLPIDISA-N 2 0 354.495 -0.110 20 0 FBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000930756426 661681843 /nfs/dbraw/zinc/68/18/43/661681843.db2.gz XGYBFFZGQBHXLR-PMPSAXMXSA-N 2 0 354.495 -0.110 20 0 FBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)C1 ZINC000930947835 661683788 /nfs/dbraw/zinc/68/37/88/661683788.db2.gz FCHAJFNJBGLXGI-FZKCQIBNSA-N 2 0 352.479 -0.500 20 0 FBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)C1 ZINC000930947840 661683774 /nfs/dbraw/zinc/68/37/74/661683774.db2.gz FCHAJFNJBGLXGI-QKPAOTATSA-N 2 0 352.479 -0.500 20 0 FBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)C1 ZINC000930947841 661683841 /nfs/dbraw/zinc/68/38/41/661683841.db2.gz FCHAJFNJBGLXGI-QXSJWSMHSA-N 2 0 352.479 -0.500 20 0 FBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)C1 ZINC000930947842 661683793 /nfs/dbraw/zinc/68/37/93/661683793.db2.gz FCHAJFNJBGLXGI-XUWVNRHRSA-N 2 0 352.479 -0.500 20 0 FBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[NH+]3CCO)C1 ZINC000931017046 661685146 /nfs/dbraw/zinc/68/51/46/661685146.db2.gz BUQGPCFQEVDMDD-ARFHVFGLSA-N 2 0 352.479 -0.356 20 0 FBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H]3[C@H]2CCC[NH+]3CCO)C1 ZINC000931017047 661685099 /nfs/dbraw/zinc/68/50/99/661685099.db2.gz BUQGPCFQEVDMDD-HRCADAONSA-N 2 0 352.479 -0.356 20 0 FBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[NH+]3CCO)C1 ZINC000931017048 661685225 /nfs/dbraw/zinc/68/52/25/661685225.db2.gz BUQGPCFQEVDMDD-JYJNAYRXSA-N 2 0 352.479 -0.356 20 0 FBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[NH+]3CCO)C1 ZINC000931017049 661685115 /nfs/dbraw/zinc/68/51/15/661685115.db2.gz BUQGPCFQEVDMDD-XHSDSOJGSA-N 2 0 352.479 -0.356 20 0 FBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CC[NH+]2C2CCOCC2)C1 ZINC000931018824 661685192 /nfs/dbraw/zinc/68/51/92/661685192.db2.gz QYIZDIWLHGOPNY-GDBMZVCRSA-N 2 0 352.479 -0.044 20 0 FBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CC[NH+]2C2CCOCC2)C1 ZINC000931018828 661685121 /nfs/dbraw/zinc/68/51/21/661685121.db2.gz QYIZDIWLHGOPNY-GOEBONIOSA-N 2 0 352.479 -0.044 20 0 FBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)C1 ZINC000931018829 661685240 /nfs/dbraw/zinc/68/52/40/661685240.db2.gz QYIZDIWLHGOPNY-HOCLYGCPSA-N 2 0 352.479 -0.044 20 0 FBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)C1 ZINC000931018831 661685109 /nfs/dbraw/zinc/68/51/09/661685109.db2.gz QYIZDIWLHGOPNY-ZBFHGGJFSA-N 2 0 352.479 -0.044 20 0 FBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CSCC(=O)N1 ZINC000931254999 661687732 /nfs/dbraw/zinc/68/77/32/661687732.db2.gz QDCSZEOJHQFSJC-HNNXBMFYSA-N 2 0 363.487 -0.059 20 0 FBADRP CN1CC[N@H+](CC[Si](C)(C)CC[NH+]2CCN(C)[C@H](CO)C2)C[C@@H]1CO ZINC000931400918 661689226 /nfs/dbraw/zinc/68/92/26/661689226.db2.gz WLKWYKMWXJGCQE-HDICACEKSA-N 2 0 372.630 -0.089 20 0 FBADRP C[NH+](C)CC1(O)CC[NH+](CC(=O)N2CCN(C(=O)C3CC3)CC2)CC1 ZINC000931484606 661690959 /nfs/dbraw/zinc/69/09/59/661690959.db2.gz RNBOLXNTYDRQOE-UHFFFAOYSA-N 2 0 352.479 -0.544 20 0 FBADRP CCOC(=O)N1CCN(C(=O)C[NH+]2CCC(O)(C[NH+](C)C)CC2)CC1 ZINC000931487708 661691078 /nfs/dbraw/zinc/69/10/78/661691078.db2.gz HJMVKEVQMDVHSL-UHFFFAOYSA-N 2 0 356.467 -0.324 20 0 FBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC000931608833 661691258 /nfs/dbraw/zinc/69/12/58/661691258.db2.gz VNJGORYFXKAQGL-UHFFFAOYSA-N 2 0 351.451 -0.200 20 0 FBADRP CCO[C@@H](CNC(=O)C(=O)NCc1cc(N(C)C)cc[nH+]1)C[NH+](C)C ZINC000931612074 661691694 /nfs/dbraw/zinc/69/16/94/661691694.db2.gz DRBQPZVBVJHWKA-HNNXBMFYSA-N 2 0 351.451 -0.153 20 0 FBADRP CCO[C@H](CNC(=O)C(=O)NCc1cc(N(C)C)cc[nH+]1)C[NH+](C)C ZINC000931612076 661691720 /nfs/dbraw/zinc/69/17/20/661691720.db2.gz DRBQPZVBVJHWKA-OAHLLOKOSA-N 2 0 351.451 -0.153 20 0 FBADRP C[C@@H](CNC(=O)C[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1)[NH+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000931746883 661693592 /nfs/dbraw/zinc/69/35/92/661693592.db2.gz RZENKGYTAQACRB-OIMRXFJVSA-N 2 0 351.491 -0.104 20 0 FBADRP C[C@H](CNC(=O)C[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1)[NH+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000931746884 661693568 /nfs/dbraw/zinc/69/35/68/661693568.db2.gz RZENKGYTAQACRB-VCWNUMGPSA-N 2 0 351.491 -0.104 20 0 FBADRP CO[C@]1(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCSC1 ZINC000931857887 661697413 /nfs/dbraw/zinc/69/74/13/661697413.db2.gz XFZSQNQCOCLQDB-INIZCTEOSA-N 2 0 360.524 -0.424 20 0 FBADRP CO[C@@]1(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCSC1 ZINC000931857888 661697371 /nfs/dbraw/zinc/69/73/71/661697371.db2.gz XFZSQNQCOCLQDB-MRXNPFEDSA-N 2 0 360.524 -0.424 20 0 FBADRP C[NH+]1CCC(OCC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000931898277 661699352 /nfs/dbraw/zinc/69/93/52/661699352.db2.gz DEKVTNMAPNYVAA-UHFFFAOYSA-N 2 0 352.479 -0.136 20 0 FBADRP COC(=O)[C@H]1CCCN(CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1=O ZINC000932033985 661701699 /nfs/dbraw/zinc/70/16/99/661701699.db2.gz HAEOLRHNUSMRFE-AWEZNQCLSA-N 2 0 356.467 -0.650 20 0 FBADRP COC(=O)[C@@H]1CCCN(CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1=O ZINC000932033987 661701696 /nfs/dbraw/zinc/70/16/96/661701696.db2.gz HAEOLRHNUSMRFE-CQSZACIVSA-N 2 0 356.467 -0.650 20 0 FBADRP COC(=O)c1cccn(CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1=O ZINC000932034194 661701671 /nfs/dbraw/zinc/70/16/71/661701671.db2.gz MHBGXXIJJQUFKY-UHFFFAOYSA-N 2 0 352.435 -0.413 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC000932034224 661701827 /nfs/dbraw/zinc/70/18/27/661701827.db2.gz NEXIBLORJMAGCN-SJORKVTESA-N 2 0 356.511 -0.182 20 0 FBADRP CN1CCn2nc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc2S1(=O)=O ZINC000932035016 661701710 /nfs/dbraw/zinc/70/17/10/661701710.db2.gz PZXVXZMMXISDEV-UHFFFAOYSA-N 2 0 372.495 -0.917 20 0 FBADRP Cc1cc(CCNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)nn1C ZINC000932236671 661703905 /nfs/dbraw/zinc/70/39/05/661703905.db2.gz YPWQIAXPVZAEDV-UHFFFAOYSA-N 2 0 352.483 -0.661 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000932375075 661705611 /nfs/dbraw/zinc/70/56/11/661705611.db2.gz JDTURVADPQNBNT-XHSDSOJGSA-N 2 0 352.479 -0.355 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC1CC2(C1)OCCO2 ZINC000932567258 661709287 /nfs/dbraw/zinc/70/92/87/661709287.db2.gz SQHDJVIMFLHPFK-UHFFFAOYSA-N 2 0 356.467 -0.793 20 0 FBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000932954777 661713860 /nfs/dbraw/zinc/71/38/60/661713860.db2.gz FJUPMIPACCGSRA-INIZCTEOSA-N 2 0 352.479 -0.090 20 0 FBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000932954778 661713996 /nfs/dbraw/zinc/71/39/96/661713996.db2.gz FJUPMIPACCGSRA-MRXNPFEDSA-N 2 0 352.479 -0.090 20 0 FBADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)C1 ZINC000932955147 661713766 /nfs/dbraw/zinc/71/37/66/661713766.db2.gz HUHHXQQPMCHGKZ-CVEARBPZSA-N 2 0 352.479 -0.092 20 0 FBADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)C1 ZINC000932955148 661714083 /nfs/dbraw/zinc/71/40/83/661714083.db2.gz HUHHXQQPMCHGKZ-HOTGVXAUSA-N 2 0 352.479 -0.092 20 0 FBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)C1 ZINC000932955149 661713944 /nfs/dbraw/zinc/71/39/44/661713944.db2.gz HUHHXQQPMCHGKZ-HZPDHXFCSA-N 2 0 352.479 -0.092 20 0 FBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)C1 ZINC000932955150 661713912 /nfs/dbraw/zinc/71/39/12/661713912.db2.gz HUHHXQQPMCHGKZ-JKSUJKDBSA-N 2 0 352.479 -0.092 20 0 FBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NC[C@@H]1CC[NH+]1C1CCOCC1 ZINC000932957137 661713745 /nfs/dbraw/zinc/71/37/45/661713745.db2.gz MXCVYICAUIKJCQ-INIZCTEOSA-N 2 0 352.479 -0.092 20 0 FBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NC[C@H]1CC[NH+]1C1CCOCC1 ZINC000932957138 661714067 /nfs/dbraw/zinc/71/40/67/661714067.db2.gz MXCVYICAUIKJCQ-MRXNPFEDSA-N 2 0 352.479 -0.092 20 0 FBADRP CC[N@@H+]1CCCN(C(=O)C(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)CC1 ZINC000932959137 661714272 /nfs/dbraw/zinc/71/42/72/661714272.db2.gz VMXGCASQWYIHGT-INIZCTEOSA-N 2 0 352.479 -0.090 20 0 FBADRP CC[N@@H+]1CCCN(C(=O)C(=O)NC[C@H]2CC[NH+]2C2CCOCC2)CC1 ZINC000932959138 661714503 /nfs/dbraw/zinc/71/45/03/661714503.db2.gz VMXGCASQWYIHGT-MRXNPFEDSA-N 2 0 352.479 -0.090 20 0 FBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NC[C@H]1CC[NH+]1C1CCOCC1 ZINC000932961384 661714746 /nfs/dbraw/zinc/71/47/46/661714746.db2.gz HYURMSFNOAZOMU-CVEARBPZSA-N 2 0 352.479 -0.092 20 0 FBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NC[C@@H]1CC[NH+]1C1CCOCC1 ZINC000932961391 661714960 /nfs/dbraw/zinc/71/49/60/661714960.db2.gz HYURMSFNOAZOMU-HOTGVXAUSA-N 2 0 352.479 -0.092 20 0 FBADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NC[C@H]1CC[NH+]1C1CCOCC1 ZINC000932961398 661715044 /nfs/dbraw/zinc/71/50/44/661715044.db2.gz HYURMSFNOAZOMU-HZPDHXFCSA-N 2 0 352.479 -0.092 20 0 FBADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NC[C@@H]1CC[NH+]1C1CCOCC1 ZINC000932961405 661714808 /nfs/dbraw/zinc/71/48/08/661714808.db2.gz HYURMSFNOAZOMU-JKSUJKDBSA-N 2 0 352.479 -0.092 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[NH+]1C1CCOCC1 ZINC000932964248 661714786 /nfs/dbraw/zinc/71/47/86/661714786.db2.gz YHDIEUUWKVMLDD-CVEARBPZSA-N 2 0 352.479 -0.044 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[NH+]1C1CCOCC1 ZINC000932964252 661714880 /nfs/dbraw/zinc/71/48/80/661714880.db2.gz YHDIEUUWKVMLDD-HOTGVXAUSA-N 2 0 352.479 -0.044 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[NH+]1C1CCOCC1 ZINC000932964256 661714664 /nfs/dbraw/zinc/71/46/64/661714664.db2.gz YHDIEUUWKVMLDD-HZPDHXFCSA-N 2 0 352.479 -0.044 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H]1CC[NH+]1C1CCOCC1 ZINC000932964259 661714972 /nfs/dbraw/zinc/71/49/72/661714972.db2.gz YHDIEUUWKVMLDD-JKSUJKDBSA-N 2 0 352.479 -0.044 20 0 FBADRP CCN(C(=O)C(=O)NC[C@H]1CC[NH+]1C1CCOCC1)[C@H]1CC[N@H+](C)C1 ZINC000932965666 661715164 /nfs/dbraw/zinc/71/51/64/661715164.db2.gz QECITYNTOBSJPQ-CVEARBPZSA-N 2 0 352.479 -0.092 20 0 FBADRP CCN(C(=O)C(=O)NC[C@@H]1CC[NH+]1C1CCOCC1)[C@H]1CC[N@H+](C)C1 ZINC000932965667 661715395 /nfs/dbraw/zinc/71/53/95/661715395.db2.gz QECITYNTOBSJPQ-HOTGVXAUSA-N 2 0 352.479 -0.092 20 0 FBADRP CCN(C(=O)C(=O)NC[C@H]1CC[NH+]1C1CCOCC1)[C@@H]1CC[N@H+](C)C1 ZINC000932965668 661715283 /nfs/dbraw/zinc/71/52/83/661715283.db2.gz QECITYNTOBSJPQ-HZPDHXFCSA-N 2 0 352.479 -0.092 20 0 FBADRP CCN(C(=O)C(=O)NC[C@@H]1CC[NH+]1C1CCOCC1)[C@@H]1CC[N@H+](C)C1 ZINC000932965669 661715423 /nfs/dbraw/zinc/71/54/23/661715423.db2.gz QECITYNTOBSJPQ-JKSUJKDBSA-N 2 0 352.479 -0.092 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000933849737 661721379 /nfs/dbraw/zinc/72/13/79/661721379.db2.gz XTDUITIECLEXAH-UHFFFAOYSA-N 3 0 355.527 -0.214 20 0 FBADRP C(CN1CCO[C@@H]2COCC[C@@H]21)OCC[N@@H+]1CCO[C@@H]2COCC[C@@H]21 ZINC000933967964 661722796 /nfs/dbraw/zinc/72/27/96/661722796.db2.gz WPVSTTAJMPGYDY-WNRNVDISSA-N 2 0 356.463 -0.018 20 0 FBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)COC2CC[NH+](C)CC2)CC1 ZINC000934894485 661725452 /nfs/dbraw/zinc/72/54/52/661725452.db2.gz DBTGDRHSJOVTCY-INIZCTEOSA-N 2 0 352.479 -0.138 20 0 FBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)COC2CC[NH+](C)CC2)CC1 ZINC000934894486 661725409 /nfs/dbraw/zinc/72/54/09/661725409.db2.gz DBTGDRHSJOVTCY-MRXNPFEDSA-N 2 0 352.479 -0.138 20 0 FBADRP C[NH+]1CCC(ONC(=O)[C@@H]2C[C@@H]2C(=O)NOC2CC[NH+](C)CC2)CC1 ZINC000935841746 661731142 /nfs/dbraw/zinc/73/11/42/661731142.db2.gz BRQPZCLTTUWRJK-GASCZTMLSA-N 2 0 354.451 -0.094 20 0 FBADRP C[C@@H]1CN(C(=O)[C@@H]2CN(C)CCO2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000939880031 660235278 /nfs/dbraw/zinc/23/52/78/660235278.db2.gz AZFZUTOVPJJDFH-BMFZPTHFSA-N 2 0 352.479 -0.378 20 0 FBADRP C[C@@H]1CN(C(=O)[C@H]2CN(C)CCO2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000939880032 660235256 /nfs/dbraw/zinc/23/52/56/660235256.db2.gz AZFZUTOVPJJDFH-FVQBIDKESA-N 2 0 352.479 -0.378 20 0 FBADRP CO[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000941370411 660261836 /nfs/dbraw/zinc/26/18/36/660261836.db2.gz WTEIJOZJTQNKLO-QLFBSQMISA-N 2 0 350.463 -0.482 20 0 FBADRP CO[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC000941370412 660261859 /nfs/dbraw/zinc/26/18/59/660261859.db2.gz WTEIJOZJTQNKLO-RBSFLKMASA-N 2 0 350.463 -0.482 20 0 FBADRP CO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC000941373939 660261229 /nfs/dbraw/zinc/26/12/29/660261229.db2.gz BWBCITKNVXMUBB-BZUAXINKSA-N 2 0 352.479 -0.236 20 0 FBADRP CO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000941373940 660261196 /nfs/dbraw/zinc/26/11/96/660261196.db2.gz BWBCITKNVXMUBB-OWCLPIDISA-N 2 0 352.479 -0.236 20 0 FBADRP CO[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC000941374362 660262331 /nfs/dbraw/zinc/26/23/31/660262331.db2.gz FMSBFCMHBPPNEJ-BZUAXINKSA-N 2 0 352.479 -0.093 20 0 FBADRP CO[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000941374367 660262305 /nfs/dbraw/zinc/26/23/05/660262305.db2.gz FMSBFCMHBPPNEJ-OWCLPIDISA-N 2 0 352.479 -0.093 20 0 FBADRP CO[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000941378199 660262384 /nfs/dbraw/zinc/26/23/84/660262384.db2.gz VJLYKZGVISKVFP-QLFBSQMISA-N 2 0 352.479 -0.093 20 0 FBADRP CO[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC000941378202 660262312 /nfs/dbraw/zinc/26/23/12/660262312.db2.gz VJLYKZGVISKVFP-RBSFLKMASA-N 2 0 352.479 -0.093 20 0 FBADRP COC[C@@H](C)[NH+]1CC(N2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)CC2)C1 ZINC000941455811 660265827 /nfs/dbraw/zinc/26/58/27/660265827.db2.gz GFVBZQPTOVWMDN-BFYDXBDKSA-N 2 0 354.495 -0.431 20 0 FBADRP COC[C@H](C)[NH+]1CC(N2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)CC2)C1 ZINC000941455812 660265804 /nfs/dbraw/zinc/26/58/04/660265804.db2.gz GFVBZQPTOVWMDN-ZMSDIMECSA-N 2 0 354.495 -0.431 20 0 FBADRP CO[C@H](C)C[NH+]1CC(N2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)CC2)C1 ZINC000941456274 660265882 /nfs/dbraw/zinc/26/58/82/660265882.db2.gz NKVARFPSTGHNGQ-BFYDXBDKSA-N 2 0 354.495 -0.431 20 0 FBADRP CO[C@@H](C)C[NH+]1CC(N2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)CC2)C1 ZINC000941456275 660265847 /nfs/dbraw/zinc/26/58/47/660265847.db2.gz NKVARFPSTGHNGQ-ZMSDIMECSA-N 2 0 354.495 -0.431 20 0 FBADRP CO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000941852500 660282195 /nfs/dbraw/zinc/28/21/95/660282195.db2.gz JWIHDIWMOZBBPJ-ARFHVFGLSA-N 2 0 352.479 -0.378 20 0 FBADRP CO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000941852502 660282205 /nfs/dbraw/zinc/28/22/05/660282205.db2.gz JWIHDIWMOZBBPJ-BZUAXINKSA-N 2 0 352.479 -0.378 20 0 FBADRP CO[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000941852838 660282219 /nfs/dbraw/zinc/28/22/19/660282219.db2.gz QSKZQLAKFAHGBN-RBSFLKMASA-N 2 0 352.479 -0.236 20 0 FBADRP CO[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000941852839 660282197 /nfs/dbraw/zinc/28/21/97/660282197.db2.gz QSKZQLAKFAHGBN-RRFJBIMHSA-N 2 0 352.479 -0.236 20 0 FBADRP CO[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000941853003 660282248 /nfs/dbraw/zinc/28/22/48/660282248.db2.gz VJTCFHCJOMYCJM-RBSFLKMASA-N 2 0 350.463 -0.624 20 0 FBADRP CO[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000941853004 660282215 /nfs/dbraw/zinc/28/22/15/660282215.db2.gz VJTCFHCJOMYCJM-RRFJBIMHSA-N 2 0 350.463 -0.624 20 0 FBADRP CO[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000941858813 660281397 /nfs/dbraw/zinc/28/13/97/660281397.db2.gz ALOCKWNLBZLMBC-FVQBIDKESA-N 2 0 352.479 -0.236 20 0 FBADRP CO[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000941858814 660281378 /nfs/dbraw/zinc/28/13/78/660281378.db2.gz ALOCKWNLBZLMBC-NUEKZKHPSA-N 2 0 352.479 -0.236 20 0 FBADRP CO[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000941864736 660281536 /nfs/dbraw/zinc/28/15/36/660281536.db2.gz GERORBLAMXUPJR-HUUCEWRRSA-N 2 0 350.463 -0.480 20 0 FBADRP CO[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000941865025 660281633 /nfs/dbraw/zinc/28/16/33/660281633.db2.gz KKZVENWPHOMIQW-ARFHVFGLSA-N 2 0 352.479 -0.234 20 0 FBADRP CO[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000941865026 660281683 /nfs/dbraw/zinc/28/16/83/660281683.db2.gz KKZVENWPHOMIQW-BZUAXINKSA-N 2 0 352.479 -0.234 20 0 FBADRP CO[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000941866544 660281801 /nfs/dbraw/zinc/28/18/01/660281801.db2.gz AKYNQQAKVIMWAS-BZUAXINKSA-N 2 0 352.479 -0.092 20 0 FBADRP CO[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000941866545 660281935 /nfs/dbraw/zinc/28/19/35/660281935.db2.gz AKYNQQAKVIMWAS-OWCLPIDISA-N 2 0 352.479 -0.092 20 0 FBADRP CO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000941866568 660281792 /nfs/dbraw/zinc/28/17/92/660281792.db2.gz BJJDKWQERZUPOL-HZPDHXFCSA-N 2 0 352.479 -0.234 20 0 FBADRP CO[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000941866859 660281976 /nfs/dbraw/zinc/28/19/76/660281976.db2.gz IEGDQGSJUOPXIH-BFYDXBDKSA-N 2 0 352.479 -0.236 20 0 FBADRP CO[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000941866860 660281888 /nfs/dbraw/zinc/28/18/88/660281888.db2.gz IEGDQGSJUOPXIH-INMHGKMJSA-N 2 0 352.479 -0.236 20 0 FBADRP CO[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000941866875 660281964 /nfs/dbraw/zinc/28/19/64/660281964.db2.gz JGYUHIXQWCJKHF-ARFHVFGLSA-N 2 0 352.479 -0.234 20 0 FBADRP CO[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000941866876 660281909 /nfs/dbraw/zinc/28/19/09/660281909.db2.gz JGYUHIXQWCJKHF-BZUAXINKSA-N 2 0 352.479 -0.234 20 0 FBADRP CO[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000941867110 660281838 /nfs/dbraw/zinc/28/18/38/660281838.db2.gz KFMPCZQUMNGLSI-ARFHVFGLSA-N 2 0 352.479 -0.092 20 0 FBADRP CO[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000941867111 660281941 /nfs/dbraw/zinc/28/19/41/660281941.db2.gz KFMPCZQUMNGLSI-BZUAXINKSA-N 2 0 352.479 -0.092 20 0 FBADRP CO[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000941867365 660281950 /nfs/dbraw/zinc/28/19/50/660281950.db2.gz PEEQIRHAGGRDMI-HUUCEWRRSA-N 2 0 352.479 -0.092 20 0 FBADRP CO[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000941872745 660282830 /nfs/dbraw/zinc/28/28/30/660282830.db2.gz LEPQJFAPXRKGHN-HZPDHXFCSA-N 2 0 352.479 -0.092 20 0 FBADRP CO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000941873532 660282851 /nfs/dbraw/zinc/28/28/51/660282851.db2.gz VZUKEEWPIPDEIG-KLHDSHLOSA-N 2 0 352.479 -0.236 20 0 FBADRP CO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000942007845 660286716 /nfs/dbraw/zinc/28/67/16/660286716.db2.gz OUXRNAKRAICRAY-KLHDSHLOSA-N 2 0 352.479 -0.236 20 0 FBADRP CO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942548275 660300200 /nfs/dbraw/zinc/30/02/00/660300200.db2.gz REWIHTWOOPIBKN-BZUAXINKSA-N 2 0 352.479 -0.236 20 0 FBADRP CO[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942548276 660300232 /nfs/dbraw/zinc/30/02/32/660300232.db2.gz REWIHTWOOPIBKN-OWCLPIDISA-N 2 0 352.479 -0.236 20 0 FBADRP CO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942552028 660300320 /nfs/dbraw/zinc/30/03/20/660300320.db2.gz BQKADYHALXZFBE-ARFHVFGLSA-N 2 0 352.479 -0.378 20 0 FBADRP CO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942552029 660300468 /nfs/dbraw/zinc/30/04/68/660300468.db2.gz BQKADYHALXZFBE-BZUAXINKSA-N 2 0 352.479 -0.378 20 0 FBADRP CO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942553087 660300740 /nfs/dbraw/zinc/30/07/40/660300740.db2.gz QYUGWLPTDLAIQX-HZPDHXFCSA-N 2 0 352.479 -0.234 20 0 FBADRP CO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C ZINC000942597193 660302808 /nfs/dbraw/zinc/30/28/08/660302808.db2.gz HNVYPAGPDAKPDA-BZUAXINKSA-N 2 0 352.479 -0.092 20 0 FBADRP CO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000942597194 660302779 /nfs/dbraw/zinc/30/27/79/660302779.db2.gz HNVYPAGPDAKPDA-OWCLPIDISA-N 2 0 352.479 -0.092 20 0 FBADRP CO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000943591845 660312639 /nfs/dbraw/zinc/31/26/39/660312639.db2.gz OYIMDOPPGLWVBK-ARFHVFGLSA-N 2 0 352.479 -0.234 20 0 FBADRP CO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000943591846 660312607 /nfs/dbraw/zinc/31/26/07/660312607.db2.gz OYIMDOPPGLWVBK-BZUAXINKSA-N 2 0 352.479 -0.234 20 0 FBADRP CO[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000943609097 660313063 /nfs/dbraw/zinc/31/30/63/660313063.db2.gz WNURKJFEHBOUGL-QLFBSQMISA-N 2 0 350.463 -0.482 20 0 FBADRP CO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000943609098 660313102 /nfs/dbraw/zinc/31/31/02/660313102.db2.gz WNURKJFEHBOUGL-RBSFLKMASA-N 2 0 350.463 -0.482 20 0 FBADRP CO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000943620377 660313283 /nfs/dbraw/zinc/31/32/83/660313283.db2.gz IFOVBSIAUQDJPO-RBSFLKMASA-N 2 0 350.463 -0.624 20 0 FBADRP CO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000943620379 660313281 /nfs/dbraw/zinc/31/32/81/660313281.db2.gz IFOVBSIAUQDJPO-RRFJBIMHSA-N 2 0 350.463 -0.624 20 0 FBADRP CO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000943620568 660313304 /nfs/dbraw/zinc/31/33/04/660313304.db2.gz KCSDKNJXFGQDKN-HUUCEWRRSA-N 2 0 350.463 -0.480 20 0 FBADRP CC[C@@H](C(=O)N1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](OC)C1)[NH+](C)C ZINC000943621020 660313354 /nfs/dbraw/zinc/31/33/54/660313354.db2.gz NJWRBUSTSIWHDK-QLFBSQMISA-N 2 0 352.479 -0.236 20 0 FBADRP CC[C@H](C(=O)N1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](OC)C1)[NH+](C)C ZINC000943621021 660313270 /nfs/dbraw/zinc/31/32/70/660313270.db2.gz NJWRBUSTSIWHDK-RBSFLKMASA-N 2 0 352.479 -0.236 20 0 FBADRP CO[C@@H]1CN(C(=O)[C@@H]2CCCC[NH+]2C)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC000944465584 660343559 /nfs/dbraw/zinc/34/35/59/660343559.db2.gz KBRKUGOFGWWRBM-LVQVYYBASA-N 2 0 352.479 -0.093 20 0 FBADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(C(=O)C[NH+]3CCCC3)CCO2)CC[N@@H+]1C ZINC000944617593 660344990 /nfs/dbraw/zinc/34/49/90/660344990.db2.gz ZCZZYXVQBKWCLI-BZUAXINKSA-N 2 0 352.479 -0.234 20 0 FBADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CN(C(=O)C[NH+]3CCCC3)CCO2)CC[N@@H+]1C ZINC000944617595 660345048 /nfs/dbraw/zinc/34/50/48/660345048.db2.gz ZCZZYXVQBKWCLI-OWCLPIDISA-N 2 0 352.479 -0.234 20 0 FBADRP CO[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2C)C[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000945387570 660354302 /nfs/dbraw/zinc/35/43/02/660354302.db2.gz LTUWMNGYSFEDBX-QKPAOTATSA-N 2 0 352.479 -0.093 20 0 FBADRP CO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000946775313 660483643 /nfs/dbraw/zinc/48/36/43/660483643.db2.gz FYZRVZVARVBNGQ-ARFHVFGLSA-N 2 0 352.479 -0.234 20 0 FBADRP CO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000946775316 660483565 /nfs/dbraw/zinc/48/35/65/660483565.db2.gz FYZRVZVARVBNGQ-BZUAXINKSA-N 2 0 352.479 -0.234 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N2CCC(O)(C[NH2+][C@@H]3CCNC3=O)CC2)CC[N@@H+]1C ZINC000946921564 660523491 /nfs/dbraw/zinc/52/34/91/660523491.db2.gz FAAFUWCPQYBAQU-RRFJBIMHSA-N 2 0 352.479 -0.452 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N2CCC(O)(C[NH2+][C@H]3CCNC3=O)CC2)CC[N@@H+]1C ZINC000946921565 660523427 /nfs/dbraw/zinc/52/34/27/660523427.db2.gz FAAFUWCPQYBAQU-SOUVJXGZSA-N 2 0 352.479 -0.452 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CCC(O)(C[NH2+][C@H]3CCCNC3=O)CC2)CC[N@@H+]1C ZINC000946921941 660523933 /nfs/dbraw/zinc/52/39/33/660523933.db2.gz JVXRNLZTTHNDGX-KFWWJZLASA-N 2 0 352.479 -0.452 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CCC(O)(C[NH2+][C@@H]3CCCNC3=O)CC2)CC[N@@H+]1C ZINC000946921942 660523900 /nfs/dbraw/zinc/52/39/00/660523900.db2.gz JVXRNLZTTHNDGX-RBSFLKMASA-N 2 0 352.479 -0.452 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CCC(O)(C[NH2+][C@H]3CCN(C)C3=O)CC2)CC[N@@H+]1C ZINC000946922570 660523836 /nfs/dbraw/zinc/52/38/36/660523836.db2.gz RCDBQWJFKMALEH-KFWWJZLASA-N 2 0 352.479 -0.500 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CCC(O)(C[NH2+][C@@H]3CCN(C)C3=O)CC2)CC[N@@H+]1C ZINC000946922571 660523895 /nfs/dbraw/zinc/52/38/95/660523895.db2.gz RCDBQWJFKMALEH-RBSFLKMASA-N 2 0 352.479 -0.500 20 0 FBADRP C[C@@H](C(N)=O)[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CCO2 ZINC000949098831 661753715 /nfs/dbraw/zinc/75/37/15/661753715.db2.gz GVUIFQBPEHJYKW-QLFBSQMISA-N 2 0 352.479 -0.106 20 0 FBADRP C[C@H](C(N)=O)[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CCO2 ZINC000949098832 661753619 /nfs/dbraw/zinc/75/36/19/661753619.db2.gz GVUIFQBPEHJYKW-RBSFLKMASA-N 2 0 352.479 -0.106 20 0 FBADRP C[C@@H]1CN(C)C[C@H](C(=O)N2CCC3(CC2)CC[NH+](CC(N)=O)CC3)O1 ZINC000957565852 661821702 /nfs/dbraw/zinc/82/17/02/661821702.db2.gz BNVDQZAQPNHYLR-HUUCEWRRSA-N 2 0 352.479 -0.105 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)C[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC000958851883 661835773 /nfs/dbraw/zinc/83/57/73/661835773.db2.gz NITQPWVOVWSLFW-WCVJEAGWSA-N 2 0 352.479 -0.548 20 0 FBADRP CC[C@@H](C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)[NH+](C)C ZINC000958859628 661836026 /nfs/dbraw/zinc/83/60/26/661836026.db2.gz BKPWGCRIPOTDBH-OWYFMNJBSA-N 2 0 354.495 -0.303 20 0 FBADRP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2O)CC[N@@H+]1C ZINC000958859648 661836046 /nfs/dbraw/zinc/83/60/46/661836046.db2.gz CXDJCUYCCWLGAQ-WCVJEAGWSA-N 2 0 352.479 -0.548 20 0 FBADRP CC[C@H](C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)[NH+](C)C ZINC000958860135 661836278 /nfs/dbraw/zinc/83/62/78/661836278.db2.gz BKPWGCRIPOTDBH-SUJAAXHWSA-N 2 0 354.495 -0.303 20 0 FBADRP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@@H]2O)CC[N@@H+]1C ZINC000958860250 661836471 /nfs/dbraw/zinc/83/64/71/661836471.db2.gz IFPNYSWDMXICGC-SUJAAXHWSA-N 2 0 352.479 -0.549 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@H]3CCC[NH+]3C)C2)CC[N@@H+]1C ZINC000958911825 661838848 /nfs/dbraw/zinc/83/88/48/661838848.db2.gz YNLMYLJRDQPUSB-SUJAAXHWSA-N 2 0 352.479 -0.549 20 0 FBADRP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCN4CCCS4(=O)=O)C[C@H]32)CC[N@@H+]1C ZINC000959970781 661849858 /nfs/dbraw/zinc/84/98/58/661849858.db2.gz CTAOWJOZDMSJEX-SUJAAXHWSA-N 2 0 370.519 -0.592 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2C[NH2+]Cc2nc(=O)n(C)[nH]2)CC[N@@H+]1C ZINC000960009553 661852037 /nfs/dbraw/zinc/85/20/37/661852037.db2.gz BLSULZOXOVULGO-HZSPNIEDSA-N 2 0 350.467 -0.081 20 0 FBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC000960139929 661860444 /nfs/dbraw/zinc/86/04/44/661860444.db2.gz VGVZYEOESIETLB-HRCADAONSA-N 2 0 350.463 -0.385 20 0 FBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC000960139937 661860416 /nfs/dbraw/zinc/86/04/16/661860416.db2.gz VGVZYEOESIETLB-OWCLPIDISA-N 2 0 350.463 -0.385 20 0 FBADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2OCCN(C(=O)C[NH+]3CCCC3)[C@H]2C1 ZINC000960408641 661870271 /nfs/dbraw/zinc/87/02/71/661870271.db2.gz IKVKIXCMXKMPCM-HRCADAONSA-N 2 0 350.463 -0.385 20 0 FBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2OCCN(C(=O)C[NH+]3CCCC3)[C@H]2C1 ZINC000960408644 661870403 /nfs/dbraw/zinc/87/04/03/661870403.db2.gz IKVKIXCMXKMPCM-OWCLPIDISA-N 2 0 350.463 -0.385 20 0 FBADRP CC[C@@H](C(=O)N1C[C@H]2OCCN(C(=O)C[NH+]3CCCC3)[C@H]2C1)[NH+](C)C ZINC000960409203 661870443 /nfs/dbraw/zinc/87/04/43/661870443.db2.gz JHENQJWKEIHTEI-HRCADAONSA-N 2 0 352.479 -0.139 20 0 FBADRP CC[C@H](C(=O)N1C[C@H]2OCCN(C(=O)C[NH+]3CCCC3)[C@H]2C1)[NH+](C)C ZINC000960409207 661870349 /nfs/dbraw/zinc/87/03/49/661870349.db2.gz JHENQJWKEIHTEI-OWCLPIDISA-N 2 0 352.479 -0.139 20 0 FBADRP C[N@@H+]1CC[C@H](C(=O)N2CCO[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@@H]32)C1 ZINC000960412713 661870645 /nfs/dbraw/zinc/87/06/45/661870645.db2.gz XAMDUOOXULAZDU-HRCADAONSA-N 2 0 350.463 -0.528 20 0 FBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCO[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@@H]32)C1 ZINC000960412714 661870595 /nfs/dbraw/zinc/87/05/95/661870595.db2.gz XAMDUOOXULAZDU-OWCLPIDISA-N 2 0 350.463 -0.528 20 0 FBADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3OCCN(C(=O)C[NH+]4CCCC4)[C@H]3C2)C1 ZINC000960415422 661870575 /nfs/dbraw/zinc/87/05/75/661870575.db2.gz NIGHADNONGKYNN-HRCADAONSA-N 2 0 350.463 -0.528 20 0 FBADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3OCCN(C(=O)C[NH+]4CCCC4)[C@H]3C2)C1 ZINC000960415424 661870738 /nfs/dbraw/zinc/87/07/38/661870738.db2.gz NIGHADNONGKYNN-OWCLPIDISA-N 2 0 350.463 -0.528 20 0 FBADRP O=C(C[NH+]1CCCC1)N1C[C@H]2OCCN(C(=O)C[NH+]3CCCC3)[C@H]2C1 ZINC000960415778 661870848 /nfs/dbraw/zinc/87/08/48/661870848.db2.gz OFOFHKKCQUAQEE-JKSUJKDBSA-N 2 0 350.463 -0.384 20 0 FBADRP CC[C@H](C(=O)N1CCO[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@H]21)[NH+](C)C ZINC000960574021 661877720 /nfs/dbraw/zinc/87/77/20/661877720.db2.gz MWXPPKORBHLBNX-LVQVYYBASA-N 2 0 352.479 -0.141 20 0 FBADRP CC[C@H](C(=O)N1CCO[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]21)[NH+](C)C ZINC000960576214 661877832 /nfs/dbraw/zinc/87/78/32/661877832.db2.gz WQGKYHPHRKZCJO-OWCLPIDISA-N 2 0 352.479 -0.139 20 0 FBADRP CC[C@@H](C(=O)N1CCO[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]21)[NH+](C)C ZINC000960665074 661882229 /nfs/dbraw/zinc/88/22/29/661882229.db2.gz WQGKYHPHRKZCJO-HRCADAONSA-N 2 0 352.479 -0.139 20 0 FBADRP CC[C@@H](C(=O)N1C[C@H]2OCCN(C(=O)[C@H]3CCC[N@@H+]3C)[C@H]2C1)[NH+](C)C ZINC000960734905 661885074 /nfs/dbraw/zinc/88/50/74/661885074.db2.gz BVQYSRPHSMYLIF-XUWVNRHRSA-N 2 0 352.479 -0.141 20 0 FBADRP CC[C@H](C(=O)N1C[C@H]2OCCN(C(=O)[C@H]3CCC[N@@H+]3C)[C@H]2C1)[NH+](C)C ZINC000960739057 661884990 /nfs/dbraw/zinc/88/49/90/661884990.db2.gz BVQYSRPHSMYLIF-LVQVYYBASA-N 2 0 352.479 -0.141 20 0 FBADRP C[NH+]1CCC[C@@H]1C(=O)N1CCO[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]21 ZINC000960739270 661885164 /nfs/dbraw/zinc/88/51/64/661885164.db2.gz DUQSRGKFUIATOA-LVQVYYBASA-N 2 0 350.463 -0.387 20 0 FBADRP CC[C@@H](C(=O)N1CCO[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@H]21)[NH+](C)C ZINC000960969023 661892965 /nfs/dbraw/zinc/89/29/65/661892965.db2.gz MWXPPKORBHLBNX-XUWVNRHRSA-N 2 0 352.479 -0.141 20 0 FBADRP COCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC000961309327 661902529 /nfs/dbraw/zinc/90/25/29/661902529.db2.gz CFFCMDUHMQZFJQ-NRKLIOEPSA-N 2 0 353.463 -0.441 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)NC2CC(C[NH2+]Cc3nc(=O)n(C)[nH]3)C2)CC[N@@H+]1C ZINC000961857965 661924155 /nfs/dbraw/zinc/92/41/55/661924155.db2.gz ZOWYXUGRWWKGDU-CLRIEMFWSA-N 2 0 350.467 -0.177 20 0 FBADRP CC1CC[NH+](CC(=O)N2C[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)[C@@H](O)C2)CC1 ZINC000961927155 661928243 /nfs/dbraw/zinc/92/82/43/661928243.db2.gz FIKLCGLDCWGSQL-OAGGEKHMSA-N 2 0 352.479 -0.500 20 0 FBADRP CC1CC[NH+](CC(=O)N2C[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)[C@@H](O)C2)CC1 ZINC000961927156 661928306 /nfs/dbraw/zinc/92/83/06/661928306.db2.gz FIKLCGLDCWGSQL-PMPSAXMXSA-N 2 0 352.479 -0.500 20 0 FBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1O ZINC000961928410 661928556 /nfs/dbraw/zinc/92/85/56/661928556.db2.gz QGBGFSLGGNQNED-OAGGEKHMSA-N 2 0 352.479 -0.356 20 0 FBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1O ZINC000961928411 661928452 /nfs/dbraw/zinc/92/84/52/661928452.db2.gz QGBGFSLGGNQNED-PMPSAXMXSA-N 2 0 352.479 -0.356 20 0 FBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1O ZINC000961928507 661928589 /nfs/dbraw/zinc/92/85/89/661928589.db2.gz RTJBOIOCCCHYPI-ILXRZTDVSA-N 2 0 350.463 -0.603 20 0 FBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1O ZINC000961928509 661928582 /nfs/dbraw/zinc/92/85/82/661928582.db2.gz RTJBOIOCCCHYPI-KFWWJZLASA-N 2 0 350.463 -0.603 20 0 FBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1O ZINC000961931345 661928943 /nfs/dbraw/zinc/92/89/43/661928943.db2.gz HREMWHOPTLXGAM-ILXRZTDVSA-N 2 0 352.479 -0.357 20 0 FBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1O ZINC000961931346 661928903 /nfs/dbraw/zinc/92/89/03/661928903.db2.gz HREMWHOPTLXGAM-KFWWJZLASA-N 2 0 352.479 -0.357 20 0 FBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1O ZINC000961962823 661930045 /nfs/dbraw/zinc/93/00/45/661930045.db2.gz HFWORPJYPOTMRY-OAGGEKHMSA-N 2 0 352.479 -0.500 20 0 FBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1O ZINC000961962824 661930051 /nfs/dbraw/zinc/93/00/51/661930051.db2.gz HFWORPJYPOTMRY-PMPSAXMXSA-N 2 0 352.479 -0.500 20 0 FBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCC(C)(C)C2)C[C@@H]1O ZINC000961963663 661930372 /nfs/dbraw/zinc/93/03/72/661930372.db2.gz OCOYBCLXUYSSMN-ILXRZTDVSA-N 2 0 352.479 -0.500 20 0 FBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCC(C)(C)C2)C[C@@H]1O ZINC000961963666 661930550 /nfs/dbraw/zinc/93/05/50/661930550.db2.gz OCOYBCLXUYSSMN-KFWWJZLASA-N 2 0 352.479 -0.500 20 0 FBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC000963030194 661970268 /nfs/dbraw/zinc/97/02/68/661970268.db2.gz POXRLIBNKMQUIC-OAGGEKHMSA-N 2 0 352.479 -0.500 20 0 FBADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC000963030195 661970338 /nfs/dbraw/zinc/97/03/38/661970338.db2.gz POXRLIBNKMQUIC-PMPSAXMXSA-N 2 0 352.479 -0.500 20 0 FBADRP CC[C@H](C(=O)N1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1)[NH+](C)C ZINC000963035855 661970475 /nfs/dbraw/zinc/97/04/75/661970475.db2.gz MYXYZBIYXCUWDX-OAGGEKHMSA-N 2 0 354.495 -0.254 20 0 FBADRP CC[C@@H](C(=O)N1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1)[NH+](C)C ZINC000963041891 661970801 /nfs/dbraw/zinc/97/08/01/661970801.db2.gz MYXYZBIYXCUWDX-PMPSAXMXSA-N 2 0 354.495 -0.254 20 0 FBADRP C[NH+]1CCC(CC(=O)N[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2O)CC1 ZINC000963042142 661970718 /nfs/dbraw/zinc/97/07/18/661970718.db2.gz OVJLVTFQVIRGLH-CVEARBPZSA-N 2 0 352.479 -0.498 20 0 FBADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](NC(=O)CC3CC[NH+](C)CC3)[C@@H](O)C2)C1 ZINC000963043305 661970778 /nfs/dbraw/zinc/97/07/78/661970778.db2.gz ULHSTGYGTPMZNT-OAGGEKHMSA-N 2 0 352.479 -0.642 20 0 FBADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](NC(=O)CC3CC[NH+](C)CC3)[C@@H](O)C2)C1 ZINC000963043308 661970812 /nfs/dbraw/zinc/97/08/12/661970812.db2.gz ULHSTGYGTPMZNT-XHSDSOJGSA-N 2 0 352.479 -0.642 20 0 FBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC000963075548 661972129 /nfs/dbraw/zinc/97/21/29/661972129.db2.gz RYKDUYPMCVNGCX-OAGGEKHMSA-N 2 0 352.479 -0.357 20 0 FBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC000963075549 661972189 /nfs/dbraw/zinc/97/21/89/661972189.db2.gz RYKDUYPMCVNGCX-PMPSAXMXSA-N 2 0 352.479 -0.357 20 0 FBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]2O)C1 ZINC000963382876 661979195 /nfs/dbraw/zinc/97/91/95/661979195.db2.gz MKDAFEPQKJQBEI-OAGGEKHMSA-N 2 0 352.479 -0.642 20 0 FBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]2O)C1 ZINC000963382877 661979111 /nfs/dbraw/zinc/97/91/11/661979111.db2.gz MKDAFEPQKJQBEI-XHSDSOJGSA-N 2 0 352.479 -0.642 20 0 FBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]2O)C1 ZINC000963383573 661979527 /nfs/dbraw/zinc/97/95/27/661979527.db2.gz UVCSLWJBPSDNIA-KFWWJZLASA-N 2 0 352.479 -0.642 20 0 FBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]2O)C1 ZINC000963383576 661979446 /nfs/dbraw/zinc/97/94/46/661979446.db2.gz UVCSLWJBPSDNIA-ZNMIVQPWSA-N 2 0 352.479 -0.642 20 0 FBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]2O)C1 ZINC000963391839 661979508 /nfs/dbraw/zinc/97/95/08/661979508.db2.gz AYABFYOFUSCWJJ-OAGGEKHMSA-N 2 0 352.479 -0.498 20 0 FBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]2O)C1 ZINC000963391840 661979595 /nfs/dbraw/zinc/97/95/95/661979595.db2.gz AYABFYOFUSCWJJ-XHSDSOJGSA-N 2 0 352.479 -0.498 20 0 FBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]2O)C1 ZINC000963391876 661979516 /nfs/dbraw/zinc/97/95/16/661979516.db2.gz BUCWHNYJFDXXDE-KFWWJZLASA-N 2 0 352.479 -0.500 20 0 FBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]2O)C1 ZINC000963391877 661979438 /nfs/dbraw/zinc/97/94/38/661979438.db2.gz BUCWHNYJFDXXDE-ZNMIVQPWSA-N 2 0 352.479 -0.500 20 0 FBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]2O)C1 ZINC000963419072 661980056 /nfs/dbraw/zinc/98/00/56/661980056.db2.gz HTLWAOLUBPUHLV-KFWWJZLASA-N 2 0 350.463 -0.746 20 0 FBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]2O)C1 ZINC000963419077 661980034 /nfs/dbraw/zinc/98/00/34/661980034.db2.gz HTLWAOLUBPUHLV-ZNMIVQPWSA-N 2 0 350.463 -0.746 20 0 FBADRP CC1CC[NH+](CC(=O)N2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)[C@@H](O)C2)CC1 ZINC000963420941 661980014 /nfs/dbraw/zinc/98/00/14/661980014.db2.gz PEANLCMXKQMDKH-OAGGEKHMSA-N 2 0 352.479 -0.642 20 0 FBADRP CC1CC[NH+](CC(=O)N2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)[C@@H](O)C2)CC1 ZINC000963420942 661979962 /nfs/dbraw/zinc/97/99/62/661979962.db2.gz PEANLCMXKQMDKH-XHSDSOJGSA-N 2 0 352.479 -0.642 20 0 FBADRP CC1CC[NH+](CC(=O)N2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)CC1 ZINC000963471912 661980205 /nfs/dbraw/zinc/98/02/05/661980205.db2.gz DVFNPBYAXRQZGI-CVEARBPZSA-N 2 0 352.479 -0.498 20 0 FBADRP O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1O ZINC000963472478 661980422 /nfs/dbraw/zinc/98/04/22/661980422.db2.gz GDYRNMAGXCMEHU-CABCVRRESA-N 2 0 350.463 -0.602 20 0 FBADRP O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@@H]1O ZINC000963473280 661980445 /nfs/dbraw/zinc/98/04/45/661980445.db2.gz LZCKBIAYEIWJPA-OAGGEKHMSA-N 2 0 350.463 -0.888 20 0 FBADRP O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@@H]1O ZINC000963473281 661980525 /nfs/dbraw/zinc/98/05/25/661980525.db2.gz LZCKBIAYEIWJPA-XHSDSOJGSA-N 2 0 350.463 -0.888 20 0 FBADRP C[NH+]1CCC(CC(=O)N2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)CC1 ZINC000963485702 661980436 /nfs/dbraw/zinc/98/04/36/661980436.db2.gz FUHMNHWSKFQZJV-CVEARBPZSA-N 2 0 352.479 -0.498 20 0 FBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC000963487128 661980845 /nfs/dbraw/zinc/98/08/45/661980845.db2.gz RZCBJPMXKKAFKC-OAGGEKHMSA-N 2 0 352.479 -0.356 20 0 FBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC000963487130 661980743 /nfs/dbraw/zinc/98/07/43/661980743.db2.gz RZCBJPMXKKAFKC-PMPSAXMXSA-N 2 0 352.479 -0.356 20 0 FBADRP CC1(C)CC[N@H+](CC(=O)N2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)C1 ZINC000963487609 661980730 /nfs/dbraw/zinc/98/07/30/661980730.db2.gz WPWSOJPJJKENPE-CABCVRRESA-N 2 0 352.479 -0.498 20 0 FBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC000963497047 661980676 /nfs/dbraw/zinc/98/06/76/661980676.db2.gz ALTHGYZNGOVTQZ-OAGGEKHMSA-N 2 0 352.479 -0.356 20 0 FBADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC000963497048 661980839 /nfs/dbraw/zinc/98/08/39/661980839.db2.gz ALTHGYZNGOVTQZ-XHSDSOJGSA-N 2 0 352.479 -0.356 20 0 FBADRP C[C@H]1C[C@@H](C(=O)N2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)CC[N@@H+]1C ZINC000963497524 661980825 /nfs/dbraw/zinc/98/08/25/661980825.db2.gz DFYQOCKZLCGRON-JONQDZQNSA-N 2 0 352.479 -0.500 20 0 FBADRP CC(C)(C(=O)N1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1)[NH+]1CCCC1 ZINC000963499307 661980654 /nfs/dbraw/zinc/98/06/54/661980654.db2.gz RMQFKAOXKGKGQN-CABCVRRESA-N 2 0 352.479 -0.356 20 0 FBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC000963525413 661981004 /nfs/dbraw/zinc/98/10/04/661981004.db2.gz JITMTNFIUYJCNC-OAGGEKHMSA-N 2 0 352.479 -0.356 20 0 FBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC000963525415 661981126 /nfs/dbraw/zinc/98/11/26/661981126.db2.gz JITMTNFIUYJCNC-PMPSAXMXSA-N 2 0 352.479 -0.356 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)CC[N@@H+]1C ZINC000963525968 661981038 /nfs/dbraw/zinc/98/10/38/661981038.db2.gz LHJPADCHDXXHQT-JJXSEGSLSA-N 2 0 352.479 -0.500 20 0 FBADRP O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1O ZINC000963527971 661980992 /nfs/dbraw/zinc/98/09/92/661980992.db2.gz YXQNNTQMBMORIV-CVEARBPZSA-N 2 0 352.479 -0.354 20 0 FBADRP O=C(C[NH+]1CCCC1)N1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC000963895482 661986704 /nfs/dbraw/zinc/98/67/04/661986704.db2.gz FGDUDGSHFKYUBC-OAGGEKHMSA-N 2 0 350.463 -0.888 20 0 FBADRP O=C(C[NH+]1CCCC1)N1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC000963895483 661986656 /nfs/dbraw/zinc/98/66/56/661986656.db2.gz FGDUDGSHFKYUBC-XHSDSOJGSA-N 2 0 350.463 -0.888 20 0 FBADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2COCCN2C(=O)C[NH+]2CCCC2)CC[N@@H+]1C ZINC000964212872 661994397 /nfs/dbraw/zinc/99/43/97/661994397.db2.gz MYFVDEVJLNNPLT-BZUAXINKSA-N 2 0 352.479 -0.234 20 0 FBADRP C[C@@H]1[C@H](C(=O)NC[C@H]2COCCN2C(=O)C[NH+]2CCCC2)CC[N@@H+]1C ZINC000964212874 661994316 /nfs/dbraw/zinc/99/43/16/661994316.db2.gz MYFVDEVJLNNPLT-OWCLPIDISA-N 2 0 352.479 -0.234 20 0 FBADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2O)CC[N@@H+]1C ZINC000964628859 662002851 /nfs/dbraw/zinc/00/28/51/662002851.db2.gz IWPXAPLDLJUQII-TUVASFSCSA-N 2 0 350.463 -0.890 20 0 FBADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2O)CC[N@@H+]1C ZINC000964630199 662002834 /nfs/dbraw/zinc/00/28/34/662002834.db2.gz AHKACPCWXLXJEP-MIGQKNRLSA-N 2 0 352.479 -0.644 20 0 FBADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]2O)CC[N@@H+]1C ZINC000964633599 662002645 /nfs/dbraw/zinc/00/26/45/662002645.db2.gz DUFFPYQQGMSUBE-TUVASFSCSA-N 2 0 352.479 -0.501 20 0 FBADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@@H]2O)CC[N@@H+]1C ZINC000964635818 662003013 /nfs/dbraw/zinc/00/30/13/662003013.db2.gz DXAZMAAQERWWBW-MIGQKNRLSA-N 2 0 352.479 -0.501 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2O)CC[N@@H+]1C ZINC000964762445 662003598 /nfs/dbraw/zinc/00/35/98/662003598.db2.gz SVEYNNONQSDYMK-JJXSEGSLSA-N 2 0 352.479 -0.500 20 0 FBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC000965986609 662027890 /nfs/dbraw/zinc/02/78/90/662027890.db2.gz CGOJBNSDWBRQAH-OAGGEKHMSA-N 2 0 352.479 -0.356 20 0 FBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC000965986610 662027918 /nfs/dbraw/zinc/02/79/18/662027918.db2.gz CGOJBNSDWBRQAH-PMPSAXMXSA-N 2 0 352.479 -0.356 20 0 FBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC000966108303 662029770 /nfs/dbraw/zinc/02/97/70/662029770.db2.gz VPCSSJKFQRLREZ-OAGGEKHMSA-N 2 0 352.479 -0.356 20 0 FBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC000966108307 662029751 /nfs/dbraw/zinc/02/97/51/662029751.db2.gz VPCSSJKFQRLREZ-PMPSAXMXSA-N 2 0 352.479 -0.356 20 0 FBADRP C[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@@H]2O)CC1 ZINC000968452695 662063173 /nfs/dbraw/zinc/06/31/73/662063173.db2.gz NVOCQQGOCFDWQU-OAGGEKHMSA-N 2 0 352.479 -0.500 20 0 FBADRP C[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@@H]2O)CC1 ZINC000968452696 662063129 /nfs/dbraw/zinc/06/31/29/662063129.db2.gz NVOCQQGOCFDWQU-PMPSAXMXSA-N 2 0 352.479 -0.500 20 0 FBADRP C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](O)C2)C1 ZINC000968455706 662063108 /nfs/dbraw/zinc/06/31/08/662063108.db2.gz AEESTNQPBBFLMA-BMFZPTHFSA-N 2 0 352.479 -0.642 20 0 FBADRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](O)C2)C1 ZINC000968455707 662063214 /nfs/dbraw/zinc/06/32/14/662063214.db2.gz AEESTNQPBBFLMA-IMJJTQAJSA-N 2 0 352.479 -0.642 20 0 FBADRP C[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2O)CC1 ZINC000968456388 662063446 /nfs/dbraw/zinc/06/34/46/662063446.db2.gz NZUWVSYZBGXGTD-CABCVRRESA-N 2 0 350.463 -0.888 20 0 FBADRP CC(C)[C@H](C(=O)N1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1)[NH+](C)C ZINC000968458665 662063785 /nfs/dbraw/zinc/06/37/85/662063785.db2.gz YCLUYVIMSBIJSZ-OWCLPIDISA-N 2 0 354.495 -0.398 20 0 FBADRP CC(C)[C@@H](C(=O)N1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1)[NH+](C)C ZINC000968458666 662063841 /nfs/dbraw/zinc/06/38/41/662063841.db2.gz YCLUYVIMSBIJSZ-PMPSAXMXSA-N 2 0 354.495 -0.398 20 0 FBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC000968466328 662064201 /nfs/dbraw/zinc/06/42/01/662064201.db2.gz FROZUCBXEMSAAG-BMFZPTHFSA-N 2 0 352.479 -0.500 20 0 FBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC000968466329 662063985 /nfs/dbraw/zinc/06/39/85/662063985.db2.gz FROZUCBXEMSAAG-IMJJTQAJSA-N 2 0 352.479 -0.500 20 0 FBADRP C[NH+](C)[C@@H](C(=O)N1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1)C1CC1 ZINC000968466334 662063939 /nfs/dbraw/zinc/06/39/39/662063939.db2.gz FSRKKOXTLAAMCV-OWCLPIDISA-N 2 0 352.479 -0.644 20 0 FBADRP C[NH+](C)[C@H](C(=O)N1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1)C1CC1 ZINC000968466335 662064073 /nfs/dbraw/zinc/06/40/73/662064073.db2.gz FSRKKOXTLAAMCV-PMPSAXMXSA-N 2 0 352.479 -0.644 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2C[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](O)C2)CC[N@@H+]1C ZINC000968466371 662063964 /nfs/dbraw/zinc/06/39/64/662063964.db2.gz GXNZOPSKKWLSSO-MIGQKNRLSA-N 2 0 352.479 -0.644 20 0 FBADRP C[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2O)CC1 ZINC000968466690 662063947 /nfs/dbraw/zinc/06/39/47/662063947.db2.gz PNNOHIBBEJXJDM-CVEARBPZSA-N 2 0 352.479 -0.642 20 0 FBADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](O)C2)C1 ZINC000968466733 662064443 /nfs/dbraw/zinc/06/44/43/662064443.db2.gz RBEKPBGFQWZWEQ-BMFZPTHFSA-N 2 0 352.479 -0.642 20 0 FBADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](O)C2)C1 ZINC000968466734 662064436 /nfs/dbraw/zinc/06/44/36/662064436.db2.gz RBEKPBGFQWZWEQ-IMJJTQAJSA-N 2 0 352.479 -0.642 20 0 FBADRP C[N@H+](CC(=O)N1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1)C1CCC1 ZINC000968466848 662064485 /nfs/dbraw/zinc/06/44/85/662064485.db2.gz UBRRCEKHTVSHMJ-CVEARBPZSA-N 2 0 352.479 -0.500 20 0 FBADRP C[NH+](C)C1(C(=O)N2C[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](O)C2)CCC1 ZINC000968466875 662064412 /nfs/dbraw/zinc/06/44/12/662064412.db2.gz VBBPEZSQQUEUPJ-CABCVRRESA-N 2 0 352.479 -0.500 20 0 FBADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1O ZINC000968616959 662073609 /nfs/dbraw/zinc/07/36/09/662073609.db2.gz HWIUWEGADWXWMR-ILXRZTDVSA-N 2 0 350.463 -0.746 20 0 FBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1O ZINC000968616960 662073374 /nfs/dbraw/zinc/07/33/74/662073374.db2.gz HWIUWEGADWXWMR-KFWWJZLASA-N 2 0 350.463 -0.746 20 0 FBADRP C[NH+](C)C1(C(=O)N2C[C@@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H](O)C2)CCC1 ZINC000968622781 662074474 /nfs/dbraw/zinc/07/44/74/662074474.db2.gz GZNKMNIGGTWWGV-ILXRZTDVSA-N 2 0 352.479 -0.357 20 0 FBADRP C[NH+](C)C1(C(=O)N2C[C@@H](NC(=O)[C@H]3CCCC[N@@H+]3C)[C@@H](O)C2)CCC1 ZINC000968622782 662074408 /nfs/dbraw/zinc/07/44/08/662074408.db2.gz GZNKMNIGGTWWGV-KFWWJZLASA-N 2 0 352.479 -0.357 20 0 FBADRP C[NH+]1CCC(C(=O)N2C[C@@H](NC(=O)[C@H]3CCCC[N@@H+]3C)[C@@H](O)C2)CC1 ZINC000968623941 662074660 /nfs/dbraw/zinc/07/46/60/662074660.db2.gz ZHPLVZZZQRQLEC-OAGGEKHMSA-N 2 0 352.479 -0.500 20 0 FBADRP C[NH+]1CCC(C(=O)N2C[C@@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H](O)C2)CC1 ZINC000968623943 662074956 /nfs/dbraw/zinc/07/49/56/662074956.db2.gz ZHPLVZZZQRQLEC-PMPSAXMXSA-N 2 0 352.479 -0.500 20 0 FBADRP C[N@H+](CC(=O)N1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@@H](O)C1)C1CCC1 ZINC000968629621 662075268 /nfs/dbraw/zinc/07/52/68/662075268.db2.gz OKNQKWRKIYLCDI-OAGGEKHMSA-N 2 0 352.479 -0.357 20 0 FBADRP C[N@H+](CC(=O)N1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@@H](O)C1)C1CCC1 ZINC000968629622 662075341 /nfs/dbraw/zinc/07/53/41/662075341.db2.gz OKNQKWRKIYLCDI-PMPSAXMXSA-N 2 0 352.479 -0.357 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]CCN3CCCS3(=O)=O)C2)CC[N@@H+]1C ZINC000968728045 662081650 /nfs/dbraw/zinc/08/16/50/662081650.db2.gz AOUWJQHAQWNMRM-RBSFLKMASA-N 2 0 358.508 -0.447 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)N3CCOCC3)C2)CC[N@@H+]1C ZINC000968737654 662081923 /nfs/dbraw/zinc/08/19/23/662081923.db2.gz DHKBNFVBWFYBLM-OWCLPIDISA-N 2 0 352.479 -0.234 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)CC[N@@H+]1C ZINC000968737939 662081869 /nfs/dbraw/zinc/08/18/69/662081869.db2.gz JPEPQAMYSYCXHH-HZSPNIEDSA-N 2 0 351.451 -0.541 20 0 FBADRP CC[C@@H](C(=O)N1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1)[NH+](C)C ZINC000969022528 662102937 /nfs/dbraw/zinc/10/29/37/662102937.db2.gz IRTMLYLNOCIKTJ-ILXRZTDVSA-N 2 0 352.479 -0.357 20 0 FBADRP CC[C@H](C(=O)N1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1)[NH+](C)C ZINC000969022529 662102972 /nfs/dbraw/zinc/10/29/72/662102972.db2.gz IRTMLYLNOCIKTJ-KFWWJZLASA-N 2 0 352.479 -0.357 20 0 FBADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC000969023578 662103008 /nfs/dbraw/zinc/10/30/08/662103008.db2.gz SIXHXBYVZLAXFD-ILXRZTDVSA-N 2 0 350.463 -0.603 20 0 FBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC000969023579 662102903 /nfs/dbraw/zinc/10/29/03/662102903.db2.gz SIXHXBYVZLAXFD-KFWWJZLASA-N 2 0 350.463 -0.603 20 0 FBADRP O=C(C[NH+]1CCCC1)N1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC000969024579 662103210 /nfs/dbraw/zinc/10/32/10/662103210.db2.gz PQIDHPZYDVNYEQ-CABCVRRESA-N 2 0 350.463 -0.602 20 0 FBADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](NC(=O)C34CCC[NH+]3CCC4)[C@@H](O)C2)C1 ZINC000969025317 662103265 /nfs/dbraw/zinc/10/32/65/662103265.db2.gz YVBMMOFLPALPIE-KFWWJZLASA-N 2 0 350.463 -0.746 20 0 FBADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](NC(=O)C34CCC[NH+]3CCC4)[C@@H](O)C2)C1 ZINC000969025318 662103240 /nfs/dbraw/zinc/10/32/40/662103240.db2.gz YVBMMOFLPALPIE-ZNMIVQPWSA-N 2 0 350.463 -0.746 20 0 FBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2O)C1 ZINC000969066598 662105232 /nfs/dbraw/zinc/10/52/32/662105232.db2.gz CHJZBVRWFIZHCZ-KFWWJZLASA-N 2 0 350.463 -0.888 20 0 FBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2O)C1 ZINC000969066599 662105267 /nfs/dbraw/zinc/10/52/67/662105267.db2.gz CHJZBVRWFIZHCZ-ZNMIVQPWSA-N 2 0 350.463 -0.888 20 0 FBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2O)C1 ZINC000969073123 662105918 /nfs/dbraw/zinc/10/59/18/662105918.db2.gz IGMFWCYCDSZJEX-BMFZPTHFSA-N 2 0 352.479 -0.642 20 0 FBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2O)C1 ZINC000969073125 662105779 /nfs/dbraw/zinc/10/57/79/662105779.db2.gz IGMFWCYCDSZJEX-IMJJTQAJSA-N 2 0 352.479 -0.642 20 0 FBADRP C[NH+](C)C1(C(=O)N2C[C@@H](NC(=O)C[C@H]3CC[N@H+](C)C3)[C@@H](O)C2)CCC1 ZINC000969073917 662105808 /nfs/dbraw/zinc/10/58/08/662105808.db2.gz WFHAEWOEFBNJHF-KFWWJZLASA-N 2 0 352.479 -0.500 20 0 FBADRP C[NH+](C)C1(C(=O)N2C[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H](O)C2)CCC1 ZINC000969073918 662105895 /nfs/dbraw/zinc/10/58/95/662105895.db2.gz WFHAEWOEFBNJHF-ZNMIVQPWSA-N 2 0 352.479 -0.500 20 0 FBADRP C[N@H+](CC(=O)N1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](O)C1)C1CCC1 ZINC000969077698 662106267 /nfs/dbraw/zinc/10/62/67/662106267.db2.gz BYWRCLIMVAVCGV-BMFZPTHFSA-N 2 0 352.479 -0.500 20 0 FBADRP C[N@H+](CC(=O)N1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](O)C1)C1CCC1 ZINC000969077699 662106154 /nfs/dbraw/zinc/10/61/54/662106154.db2.gz BYWRCLIMVAVCGV-IMJJTQAJSA-N 2 0 352.479 -0.500 20 0 FBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC000969089919 662107002 /nfs/dbraw/zinc/10/70/02/662107002.db2.gz CYDNXHBQLXWMKM-ILXRZTDVSA-N 2 0 350.463 -0.746 20 0 FBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC000969089920 662107037 /nfs/dbraw/zinc/10/70/37/662107037.db2.gz CYDNXHBQLXWMKM-KFWWJZLASA-N 2 0 350.463 -0.746 20 0 FBADRP C[NH+]1CCC(C(=O)N2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](O)C2)CC1 ZINC000969090005 662106992 /nfs/dbraw/zinc/10/69/92/662106992.db2.gz HRARFDSTNAZMMX-CABCVRRESA-N 2 0 350.463 -0.888 20 0 FBADRP C[N@H+](CC(=O)N1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1)C1CCC1 ZINC000969090098 662106966 /nfs/dbraw/zinc/10/69/66/662106966.db2.gz LGQRDQLNYVYIGO-CABCVRRESA-N 2 0 350.463 -0.746 20 0 FBADRP C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](O)C2)C1 ZINC000969090343 662107283 /nfs/dbraw/zinc/10/72/83/662107283.db2.gz WBFNSNIIHPMITR-KFWWJZLASA-N 2 0 350.463 -0.888 20 0 FBADRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](O)C2)C1 ZINC000969090344 662107264 /nfs/dbraw/zinc/10/72/64/662107264.db2.gz WBFNSNIIHPMITR-ZNMIVQPWSA-N 2 0 350.463 -0.888 20 0 FBADRP C[NH+](C)C1(C(=O)N2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](O)C2)CCC1 ZINC000969092603 662107245 /nfs/dbraw/zinc/10/72/45/662107245.db2.gz KWGZJVSGMPSDLA-KGLIPLIRSA-N 2 0 350.463 -0.746 20 0 FBADRP CC(C)[C@@H](C(=O)N1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1)[NH+](C)C ZINC000969092666 662107340 /nfs/dbraw/zinc/10/73/40/662107340.db2.gz NKDDOGQEORRMAU-ILXRZTDVSA-N 2 0 352.479 -0.644 20 0 FBADRP CC(C)[C@H](C(=O)N1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1)[NH+](C)C ZINC000969092667 662107213 /nfs/dbraw/zinc/10/72/13/662107213.db2.gz NKDDOGQEORRMAU-QLFBSQMISA-N 2 0 352.479 -0.644 20 0 FBADRP C[NH+](C)[C@H](C(=O)N1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1)C1CC1 ZINC000969092678 662107330 /nfs/dbraw/zinc/10/73/30/662107330.db2.gz NWFUELRQQYPCPQ-ILXRZTDVSA-N 2 0 350.463 -0.890 20 0 FBADRP C[NH+](C)[C@@H](C(=O)N1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1)C1CC1 ZINC000969092679 662107287 /nfs/dbraw/zinc/10/72/87/662107287.db2.gz NWFUELRQQYPCPQ-QLFBSQMISA-N 2 0 350.463 -0.890 20 0 FBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC000969092780 662107199 /nfs/dbraw/zinc/10/71/99/662107199.db2.gz SBLCOIBTBXRYLT-KFWWJZLASA-N 2 0 350.463 -0.746 20 0 FBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC000969092781 662107297 /nfs/dbraw/zinc/10/72/97/662107297.db2.gz SBLCOIBTBXRYLT-ZNMIVQPWSA-N 2 0 350.463 -0.746 20 0 FBADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](O)C2)C1 ZINC000969092883 662107322 /nfs/dbraw/zinc/10/73/22/662107322.db2.gz WYGZMGSCENCBKY-KFWWJZLASA-N 2 0 350.463 -0.888 20 0 FBADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](O)C2)C1 ZINC000969092884 662107307 /nfs/dbraw/zinc/10/73/07/662107307.db2.gz WYGZMGSCENCBKY-ZNMIVQPWSA-N 2 0 350.463 -0.888 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](O)C2)CC[N@@H+]1C ZINC000969094797 662107185 /nfs/dbraw/zinc/10/71/85/662107185.db2.gz FPSWUHSVVYAJPA-TUVASFSCSA-N 2 0 350.463 -0.890 20 0 FBADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)[C@@H](O)C2)C1 ZINC000969508315 657152660 /nfs/dbraw/zinc/15/26/60/657152660.db2.gz HZHSRWNYGYRNGQ-KFWWJZLASA-N 2 0 352.479 -0.500 20 0 FBADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)[C@@H](O)C2)C1 ZINC000969508316 657152731 /nfs/dbraw/zinc/15/27/31/657152731.db2.gz HZHSRWNYGYRNGQ-ZNMIVQPWSA-N 2 0 352.479 -0.500 20 0 FBADRP CC(C)(C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O)[NH+]1CCCC1 ZINC000969508486 657152787 /nfs/dbraw/zinc/15/27/87/657152787.db2.gz KXSGENRETTVLSJ-CABCVRRESA-N 2 0 352.479 -0.356 20 0 FBADRP CC[C@@H](C(=O)N1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1)[NH+](C)C ZINC000969509010 657153460 /nfs/dbraw/zinc/15/34/60/657153460.db2.gz SJINKSUKZHIBMY-ILXRZTDVSA-N 2 0 354.495 -0.111 20 0 FBADRP CC[C@H](C(=O)N1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1)[NH+](C)C ZINC000969509018 657153331 /nfs/dbraw/zinc/15/33/31/657153331.db2.gz SJINKSUKZHIBMY-KFWWJZLASA-N 2 0 354.495 -0.111 20 0 FBADRP C[C@H]1C[C@@H](C(=O)N2C[C@@H](NC(=O)[C@H]3CCC[NH+]3C)[C@@H](O)C2)CC[N@@H+]1C ZINC000969547565 657160721 /nfs/dbraw/zinc/16/07/21/657160721.db2.gz XGGLBJOUJJBDIB-RBZJEDDUSA-N 2 0 352.479 -0.501 20 0 FBADRP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1C[NH+](CCN2C(=O)CCC2=O)C1 ZINC000969699717 657174982 /nfs/dbraw/zinc/17/49/82/657174982.db2.gz MKTRQSXXFMSZCX-GZBFAFLISA-N 2 0 350.463 -0.088 20 0 FBADRP C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1C[NH+](CCN2C(=O)CCC2=O)C1 ZINC000969699722 657175065 /nfs/dbraw/zinc/17/50/65/657175065.db2.gz MKTRQSXXFMSZCX-UMVBOHGHSA-N 2 0 350.463 -0.088 20 0 FBADRP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1C[NH+](CCN2C(=O)CNC2=O)C1 ZINC000969701866 657174731 /nfs/dbraw/zinc/17/47/31/657174731.db2.gz YWIMNCCCAOBPME-OUCADQQQSA-N 2 0 351.451 -0.685 20 0 FBADRP C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1C[NH+](CCN2C(=O)CNC2=O)C1 ZINC000969701868 657174894 /nfs/dbraw/zinc/17/48/94/657174894.db2.gz YWIMNCCCAOBPME-YRGRVCCFSA-N 2 0 351.451 -0.685 20 0 FBADRP CC(C)[C@H](C(=O)N1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)[C@@H](O)C1)[NH+](C)C ZINC000969801456 657188247 /nfs/dbraw/zinc/18/82/47/657188247.db2.gz ZTAXNGNIPQTBOC-FXUDXRNXSA-N 2 0 354.495 -0.255 20 0 FBADRP CC(C)[C@@H](C(=O)N1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)[C@@H](O)C1)[NH+](C)C ZINC000969801457 657188484 /nfs/dbraw/zinc/18/84/84/657188484.db2.gz ZTAXNGNIPQTBOC-UGUYLWEFSA-N 2 0 354.495 -0.255 20 0 FBADRP C[NH+]1CCCC[C@H]1C(=O)N1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)[C@@H](O)C1 ZINC000969806804 657189236 /nfs/dbraw/zinc/18/92/36/657189236.db2.gz RYVFYHHSBIZNNO-UGUYLWEFSA-N 2 0 352.479 -0.357 20 0 FBADRP CC[C@H](C(=O)N1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@@H](O)C1)[NH+](C)C ZINC000969957426 657223331 /nfs/dbraw/zinc/22/33/31/657223331.db2.gz JDAHELMRFXHFSH-RBZJEDDUSA-N 2 0 354.495 -0.255 20 0 FBADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@@H]2O)CC[N@@H+]1C ZINC000969958402 657221949 /nfs/dbraw/zinc/22/19/49/657221949.db2.gz UKPMNJYSZIDFRO-RBZJEDDUSA-N 2 0 352.479 -0.501 20 0 FBADRP CC[C@@H](C(=O)N1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@@H](O)C1)[NH+](C)C ZINC000969964285 657224105 /nfs/dbraw/zinc/22/41/05/657224105.db2.gz JDAHELMRFXHFSH-QMHWVQJVSA-N 2 0 354.495 -0.255 20 0 FBADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2O)CC[N@@H+]1C ZINC000969964762 657223345 /nfs/dbraw/zinc/22/33/45/657223345.db2.gz NVNJDEWSZNXGPU-JONQDZQNSA-N 2 0 352.479 -0.500 20 0 FBADRP CC1CC[NH+](CC(=O)N[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2O)CC1 ZINC000970071607 657238716 /nfs/dbraw/zinc/23/87/16/657238716.db2.gz LZKIGPHBBFDALW-CVEARBPZSA-N 2 0 352.479 -0.498 20 0 FBADRP CC1CC[NH+](CC(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]2O)CC1 ZINC000970071862 657238649 /nfs/dbraw/zinc/23/86/49/657238649.db2.gz PBZDBIQUMLYILS-OAGGEKHMSA-N 2 0 352.479 -0.642 20 0 FBADRP CC1CC[NH+](CC(=O)N[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]2O)CC1 ZINC000970071864 657238330 /nfs/dbraw/zinc/23/83/30/657238330.db2.gz PBZDBIQUMLYILS-XHSDSOJGSA-N 2 0 352.479 -0.642 20 0 FBADRP CC[C@@H](C(=O)N1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1)[NH+](C)C ZINC000970072297 657238537 /nfs/dbraw/zinc/23/85/37/657238537.db2.gz SMERHGMKTFYSGS-PMPSAXMXSA-N 2 0 354.495 -0.254 20 0 FBADRP CC1CC[NH+](CC(=O)N[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@H]2O)CC1 ZINC000970072453 657238560 /nfs/dbraw/zinc/23/85/60/657238560.db2.gz UWMWYMMCIAJELE-OAGGEKHMSA-N 2 0 352.479 -0.500 20 0 FBADRP CC1CC[NH+](CC(=O)N[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@@H]2O)CC1 ZINC000970072457 657238367 /nfs/dbraw/zinc/23/83/67/657238367.db2.gz UWMWYMMCIAJELE-PMPSAXMXSA-N 2 0 352.479 -0.500 20 0 FBADRP CC[C@H](C(=O)N1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1)[NH+](C)C ZINC000970075980 657238546 /nfs/dbraw/zinc/23/85/46/657238546.db2.gz SMERHGMKTFYSGS-OAGGEKHMSA-N 2 0 354.495 -0.254 20 0 FBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1O ZINC000970636012 657334208 /nfs/dbraw/zinc/33/42/08/657334208.db2.gz LOWRURZXXCDIQE-KFWWJZLASA-N 2 0 352.479 -0.357 20 0 FBADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1O ZINC000970636013 657334515 /nfs/dbraw/zinc/33/45/15/657334515.db2.gz LOWRURZXXCDIQE-ZNMIVQPWSA-N 2 0 352.479 -0.357 20 0 FBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@@H]1O ZINC000970636334 657334069 /nfs/dbraw/zinc/33/40/69/657334069.db2.gz PDQSIOUVAIYMAX-BMFZPTHFSA-N 2 0 352.479 -0.357 20 0 FBADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@@H]1O ZINC000970636335 657334294 /nfs/dbraw/zinc/33/42/94/657334294.db2.gz PDQSIOUVAIYMAX-IMJJTQAJSA-N 2 0 352.479 -0.357 20 0 FBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1O ZINC000970636423 657334536 /nfs/dbraw/zinc/33/45/36/657334536.db2.gz QKKQQFWUMMYEFU-BMFZPTHFSA-N 2 0 352.479 -0.500 20 0 FBADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1O ZINC000970636427 657334332 /nfs/dbraw/zinc/33/43/32/657334332.db2.gz QKKQQFWUMMYEFU-IMJJTQAJSA-N 2 0 352.479 -0.500 20 0 FBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1O ZINC000970638531 657335001 /nfs/dbraw/zinc/33/50/01/657335001.db2.gz RKJOAMOLNZLTRX-KFWWJZLASA-N 2 0 350.463 -0.746 20 0 FBADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1O ZINC000970638533 657335770 /nfs/dbraw/zinc/33/57/70/657335770.db2.gz RKJOAMOLNZLTRX-ZNMIVQPWSA-N 2 0 350.463 -0.746 20 0 FBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2O)C1 ZINC000970643633 657336361 /nfs/dbraw/zinc/33/63/61/657336361.db2.gz OUPOXKDOYFBKSG-KFWWJZLASA-N 2 0 350.463 -0.888 20 0 FBADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2O)C1 ZINC000970643634 657336344 /nfs/dbraw/zinc/33/63/44/657336344.db2.gz OUPOXKDOYFBKSG-ZNMIVQPWSA-N 2 0 350.463 -0.888 20 0 FBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2O)C1 ZINC000970646260 657337534 /nfs/dbraw/zinc/33/75/34/657337534.db2.gz MVSAETXOFKKMQM-BMFZPTHFSA-N 2 0 352.479 -0.642 20 0 FBADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2O)C1 ZINC000970646261 657338077 /nfs/dbraw/zinc/33/80/77/657338077.db2.gz MVSAETXOFKKMQM-IMJJTQAJSA-N 2 0 352.479 -0.642 20 0 FBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]2O)C1 ZINC000970647130 657337766 /nfs/dbraw/zinc/33/77/66/657337766.db2.gz TWHILTMQRYGNON-KFWWJZLASA-N 2 0 352.479 -0.500 20 0 FBADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]2O)C1 ZINC000970647131 657337463 /nfs/dbraw/zinc/33/74/63/657337463.db2.gz TWHILTMQRYGNON-ZNMIVQPWSA-N 2 0 352.479 -0.500 20 0 FBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@@H]2O)C1 ZINC000970649679 657339466 /nfs/dbraw/zinc/33/94/66/657339466.db2.gz VREXVWKUOROYGK-BMFZPTHFSA-N 2 0 352.479 -0.500 20 0 FBADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@@H]2O)C1 ZINC000970649682 657339908 /nfs/dbraw/zinc/33/99/08/657339908.db2.gz VREXVWKUOROYGK-IMJJTQAJSA-N 2 0 352.479 -0.500 20 0 FBADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC000970654413 657342279 /nfs/dbraw/zinc/34/22/79/657342279.db2.gz SWTNUASHJKMBSP-ILXRZTDVSA-N 2 0 352.479 -0.500 20 0 FBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC000970654414 657342426 /nfs/dbraw/zinc/34/24/26/657342426.db2.gz SWTNUASHJKMBSP-KFWWJZLASA-N 2 0 352.479 -0.500 20 0 FBADRP CC[C@H](C(=O)N1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H](O)C1)[NH+](C)C ZINC000970654477 657342352 /nfs/dbraw/zinc/34/23/52/657342352.db2.gz UXEFBPUCKUFUJF-KFWWJZLASA-N 2 0 354.495 -0.254 20 0 FBADRP CC[C@@H](C(=O)N1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H](O)C1)[NH+](C)C ZINC000970656655 657340659 /nfs/dbraw/zinc/34/06/59/657340659.db2.gz UXEFBPUCKUFUJF-ILXRZTDVSA-N 2 0 354.495 -0.254 20 0 FBADRP CC1(C)CC[N@H+](CC(=O)N[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2O)C1 ZINC000970657568 657341437 /nfs/dbraw/zinc/34/14/37/657341437.db2.gz XBDLQSIJCSCJBC-CABCVRRESA-N 2 0 352.479 -0.498 20 0 FBADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)[C@@H](O)C2)C1 ZINC000970657739 657340978 /nfs/dbraw/zinc/34/09/78/657340978.db2.gz ZKDUWDCMTPHPQH-KFWWJZLASA-N 2 0 352.479 -0.642 20 0 FBADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)[C@@H](O)C2)C1 ZINC000970657741 657341606 /nfs/dbraw/zinc/34/16/06/657341606.db2.gz ZKDUWDCMTPHPQH-ZNMIVQPWSA-N 2 0 352.479 -0.642 20 0 FBADRP C[C@@H]1CN(C)C[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)O1 ZINC000974272172 658674594 /nfs/dbraw/zinc/67/45/94/658674594.db2.gz AWBDNRKEZVZLIN-APIJFGDWSA-N 2 0 350.463 -0.435 20 0 FBADRP C[C@@H]1CN(C)C[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C2)O1 ZINC000974272257 658674730 /nfs/dbraw/zinc/67/47/30/658674730.db2.gz YOYHGVCKYSVKMG-IBEHDNSVSA-N 2 0 352.479 -0.047 20 0 FBADRP C[C@@H]1CN(C)C[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)O1 ZINC000974272264 658674950 /nfs/dbraw/zinc/67/49/50/658674950.db2.gz YOYHGVCKYSVKMG-RBGFHDKUSA-N 2 0 352.479 -0.047 20 0 FBADRP C[C@@H]1CN(C)C[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@H]3CCC[N@@H+]3C)C2)O1 ZINC000978665839 658817127 /nfs/dbraw/zinc/81/71/27/658817127.db2.gz CZRMAAMLKRTSNV-IBEHDNSVSA-N 2 0 352.479 -0.189 20 0 FBADRP C[C@@H]1CN(C)C[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)O1 ZINC000978665841 658817745 /nfs/dbraw/zinc/81/77/45/658817745.db2.gz CZRMAAMLKRTSNV-RBGFHDKUSA-N 2 0 352.479 -0.189 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CCC([NH+](C)Cc3nc(=O)n(C)[nH]3)CC2)CC[N@@H+]1C ZINC000985440233 659881039 /nfs/dbraw/zinc/88/10/39/659881039.db2.gz GCHRCYRQWDVNKU-TZMCWYRMSA-N 2 0 350.467 -0.129 20 0 FBADRP C[C@@H]1[C@H](C(=O)NC2CN(C(=O)COC3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000992088726 660114568 /nfs/dbraw/zinc/11/45/68/660114568.db2.gz FJLXQHXOOOIFQY-CZUORRHYSA-N 2 0 352.479 -0.236 20 0 FBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000992315142 660118131 /nfs/dbraw/zinc/11/81/31/660118131.db2.gz WKIIIZRVHQJTNY-BMFZPTHFSA-N 2 0 352.479 -0.237 20 0 FBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000992315147 660118022 /nfs/dbraw/zinc/11/80/22/660118022.db2.gz WKIIIZRVHQJTNY-FVQBIDKESA-N 2 0 352.479 -0.237 20 0 FBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000992319688 660118013 /nfs/dbraw/zinc/11/80/13/660118013.db2.gz QZVSGJSUUBXLSM-IIAWOOMASA-N 2 0 352.479 -0.378 20 0 FBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000992319694 660118118 /nfs/dbraw/zinc/11/81/18/660118118.db2.gz QZVSGJSUUBXLSM-SQWLQELKSA-N 2 0 352.479 -0.378 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)CCN3CCOCC3)C2)CC[N@@H+]1C ZINC000992373134 660118560 /nfs/dbraw/zinc/11/85/60/660118560.db2.gz WMEFSAOAZAUJOS-JKSUJKDBSA-N 2 0 352.479 -0.234 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)CC[N@@H+]1C ZINC000992398447 660118819 /nfs/dbraw/zinc/11/88/19/660118819.db2.gz DKPYDCRHASLDPB-SLBVQIDZSA-N 2 0 352.479 -0.237 20 0 FBADRP C[C@@H]1CN(C)C[C@H](C(=O)NC2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)O1 ZINC000994846552 660220062 /nfs/dbraw/zinc/22/00/62/660220062.db2.gz FBFDIBKSRFKZRV-UKRRQHHQSA-N 2 0 352.479 -0.236 20 0 FBADRP C[C@@H]1CN(C)C[C@H](C(=O)NC2CN(C(=O)CC3CC[NH+](C)CC3)C2)O1 ZINC000994846685 660220102 /nfs/dbraw/zinc/22/01/02/660220102.db2.gz FKGPNDLJDQEBHW-CZUORRHYSA-N 2 0 352.479 -0.236 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C(C)(C)C2)CC[N@@H+]1C ZINC000995824097 660358161 /nfs/dbraw/zinc/35/81/61/660358161.db2.gz HIOJWNXKPVQHHH-JHJVBQTASA-N 2 0 350.467 -0.225 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2C[C@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C(C)(C)C2)CC[N@@H+]1C ZINC000995824099 660358169 /nfs/dbraw/zinc/35/81/69/660358169.db2.gz HIOJWNXKPVQHHH-UPJWGTAASA-N 2 0 350.467 -0.225 20 0 FBADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2CCC([NH2+]CC(N)=O)CC2)CC1 ZINC000996591917 660363967 /nfs/dbraw/zinc/36/39/67/660363967.db2.gz DLEDWDNJXYAJAF-WBVHZDCISA-N 2 0 352.479 -0.201 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]Cc3nc(=O)n(C)[nH]3)CC2)CC[N@@H+]1C ZINC000996602927 660364184 /nfs/dbraw/zinc/36/41/84/660364184.db2.gz IVPLPVZGTLTCQT-UONOGXRCSA-N 2 0 350.467 -0.081 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]CC(=O)N3CCOCC3)CC2)CC[N@@H+]1C ZINC000996607482 660363912 /nfs/dbraw/zinc/36/39/12/660363912.db2.gz OVSQAFRKUGYIQV-GDBMZVCRSA-N 2 0 352.479 -0.234 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]CCN3C(=O)CNC3=O)CC2)CC[N@@H+]1C ZINC000996608003 660363984 /nfs/dbraw/zinc/36/39/84/660363984.db2.gz PFXVXIOXFQKBFN-TZMCWYRMSA-N 2 0 351.451 -0.541 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]Cc3nc(=O)n(C)[nH]3)CC2)CC[N@@H+]1C ZINC000997784112 660399460 /nfs/dbraw/zinc/39/94/60/660399460.db2.gz AWQSDRGTHZHXLW-TZMCWYRMSA-N 2 0 350.467 -0.223 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+][C@@H]3CCC(=O)NC3=O)CC2)CC[N@@H+]1C ZINC000997792603 660399476 /nfs/dbraw/zinc/39/94/76/660399476.db2.gz ISCKZWGQJGYIMO-BPLDGKMQSA-N 2 0 350.463 -0.040 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+][C@H]3CCC(=O)NC3=O)CC2)CC[N@@H+]1C ZINC000997792606 660399492 /nfs/dbraw/zinc/39/94/92/660399492.db2.gz ISCKZWGQJGYIMO-YUELXQCFSA-N 2 0 350.463 -0.040 20 0 FBADRP CN(C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)C1CC([NH2+]CC(N)=O)C1 ZINC000998784003 660408073 /nfs/dbraw/zinc/40/80/73/660408073.db2.gz AVBKMXXFQMUCIN-BOXZVXIZSA-N 2 0 352.479 -0.202 20 0 FBADRP C[C@@H]1[C@H](C(=O)N(C)C2CC([NH2+]CCN3C(=O)CNC3=O)C2)CC[N@@H+]1C ZINC000998792647 660408339 /nfs/dbraw/zinc/40/83/39/660408339.db2.gz ZVOXXECHOMSPDC-BLYZHGLHSA-N 2 0 351.451 -0.543 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N(C)C2CC([NH2+]Cc3nc(=O)n(C)[nH]3)C2)CC[N@@H+]1C ZINC000998794940 660408450 /nfs/dbraw/zinc/40/84/50/660408450.db2.gz TXRJFTQHKYMSMX-CLRIEMFWSA-N 2 0 350.467 -0.082 20 0 FBADRP C[C@@H]1[C@H](C(=O)N(C)C2CC([NH2+]CC(=O)N3CCOCC3)C2)CC[N@@H+]1C ZINC000998797460 660408415 /nfs/dbraw/zinc/40/84/15/660408415.db2.gz VZPPYAJIURWTFZ-PRLABOORSA-N 2 0 352.479 -0.236 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)N3CCOCC3)C2)CC[N@@H+]1C ZINC000999188534 660410160 /nfs/dbraw/zinc/41/01/60/660410160.db2.gz BGTIYGWVZYHWRQ-BZUAXINKSA-N 2 0 352.479 -0.234 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)N3CCOCC3)C2)CC[N@@H+]1C ZINC000999188537 660410112 /nfs/dbraw/zinc/41/01/12/660410112.db2.gz BGTIYGWVZYHWRQ-OWCLPIDISA-N 2 0 352.479 -0.234 20 0 FBADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2CCC[C@@H]([NH2+]CC(N)=O)C2)CC1 ZINC000999194437 660410069 /nfs/dbraw/zinc/41/00/69/660410069.db2.gz NTTVBZBJJCRDCG-INMHGKMJSA-N 2 0 352.479 -0.201 20 0 FBADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2CCC[C@H]([NH2+]CC(N)=O)C2)CC1 ZINC000999194442 660410095 /nfs/dbraw/zinc/41/00/95/660410095.db2.gz NTTVBZBJJCRDCG-UXLLHSPISA-N 2 0 352.479 -0.201 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH2+]CCN3C(=O)CNC3=O)C2)CC[N@@H+]1C ZINC000999197030 660410081 /nfs/dbraw/zinc/41/00/81/660410081.db2.gz VXLMOPIXFNPCMP-HZSPNIEDSA-N 2 0 351.451 -0.541 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)CC[N@@H+]1C ZINC000999197031 660410022 /nfs/dbraw/zinc/41/00/22/660410022.db2.gz VXLMOPIXFNPCMP-MGPQQGTHSA-N 2 0 351.451 -0.541 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)CC[N@@H+]1C ZINC000999204530 660410146 /nfs/dbraw/zinc/41/01/46/660410146.db2.gz GPHGRFYNMVDEKR-HZSPNIEDSA-N 2 0 350.467 -0.081 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)CC[N@@H+]1C ZINC000999204536 660410038 /nfs/dbraw/zinc/41/00/38/660410038.db2.gz GPHGRFYNMVDEKR-MELADBBJSA-N 2 0 350.467 -0.081 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)NCc2cn([C@H]3CC[NH+](CCO)C3)nn2)CC[N@@H+]1C ZINC000999987469 660419633 /nfs/dbraw/zinc/41/96/33/660419633.db2.gz OGRUGELDXGJPHK-HRCADAONSA-N 2 0 350.467 -0.136 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)NCc2cn([C@@H]3CC[NH+](CCO)C3)nn2)CC[N@@H+]1C ZINC000999987471 660419670 /nfs/dbraw/zinc/41/96/70/660419670.db2.gz OGRUGELDXGJPHK-OWCLPIDISA-N 2 0 350.467 -0.136 20 0 FBADRP C[C@@H]1[C@H](C(=O)NCc2cn([C@@H]3CC[NH+](CCCO)C3)nn2)CC[N@@H+]1C ZINC000999988488 660419640 /nfs/dbraw/zinc/41/96/40/660419640.db2.gz WAHMXEATQLHHHN-FVQBIDKESA-N 2 0 350.467 -0.136 20 0 FBADRP C[C@@H]1[C@H](C(=O)NCc2cn([C@H]3CC[NH+](CCCO)C3)nn2)CC[N@@H+]1C ZINC000999988491 660419646 /nfs/dbraw/zinc/41/96/46/660419646.db2.gz WAHMXEATQLHHHN-VNQPRFMTSA-N 2 0 350.467 -0.136 20 0 FBADRP C[C@@H]1[C@H](C(=O)NCC2CC[NH+]([C@@H]3CCC(=O)NC3=O)CC2)CC[N@@H+]1C ZINC001001420591 662399493 /nfs/dbraw/zinc/39/94/93/662399493.db2.gz NHDPUFJMTDIXHU-BPLDGKMQSA-N 2 0 350.463 -0.040 20 0 FBADRP C[C@@H]1[C@H](C(=O)NCC2CC[NH+]([C@H]3CCC(=O)NC3=O)CC2)CC[N@@H+]1C ZINC001001420592 662399555 /nfs/dbraw/zinc/39/95/55/662399555.db2.gz NHDPUFJMTDIXHU-YUELXQCFSA-N 2 0 350.463 -0.040 20 0 FBADRP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CCN3C(=O)CNC3=O)CC2)CC[N@@H+]1C ZINC001002860606 660448254 /nfs/dbraw/zinc/44/82/54/660448254.db2.gz LROIRBJCPRGSBC-TZMCWYRMSA-N 2 0 351.451 -0.541 20 0 FBADRP C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(CCN3C(=O)CNC3=O)C2)CC[N@@H+]1C ZINC001007370479 662111905 /nfs/dbraw/zinc/11/19/05/662111905.db2.gz AMOAMEBMHUHCKP-HZSPNIEDSA-N 2 0 351.451 -0.541 20 0 FBADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(CCN3C(=O)CNC3=O)C2)CC[N@@H+]1C ZINC001007370483 662111856 /nfs/dbraw/zinc/11/18/56/662111856.db2.gz AMOAMEBMHUHCKP-MGPQQGTHSA-N 2 0 351.451 -0.541 20 0 FBADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(CC(=O)N3CCOCC3)C2)CC[N@@H+]1C ZINC001007376793 662111817 /nfs/dbraw/zinc/11/18/17/662111817.db2.gz NTSGMAYMCHMDKU-BZUAXINKSA-N 2 0 352.479 -0.234 20 0 FBADRP C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(CC(=O)N3CCOCC3)C2)CC[N@@H+]1C ZINC001007376794 662111833 /nfs/dbraw/zinc/11/18/33/662111833.db2.gz NTSGMAYMCHMDKU-OWCLPIDISA-N 2 0 352.479 -0.234 20 0 FBADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CCCN3C(=O)CNC3=O)C2)CC[N@@H+]1C ZINC001014482981 662143135 /nfs/dbraw/zinc/14/31/35/662143135.db2.gz JOXXHVUVISCQBJ-HZSPNIEDSA-N 2 0 351.451 -0.541 20 0 FBADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH+](CCCN3C(=O)CNC3=O)C2)CC[N@@H+]1C ZINC001014482989 662142917 /nfs/dbraw/zinc/14/29/17/662142917.db2.gz JOXXHVUVISCQBJ-MGPQQGTHSA-N 2 0 351.451 -0.541 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[NH+](CCN3C(=O)CNC3=O)C2)CC[N@@H+]1C ZINC001014504789 662143086 /nfs/dbraw/zinc/14/30/86/662143086.db2.gz XKVFTCVBKBBXIR-HZSPNIEDSA-N 2 0 351.451 -0.541 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](CCN3C(=O)CNC3=O)C2)CC[N@@H+]1C ZINC001014504790 662143097 /nfs/dbraw/zinc/14/30/97/662143097.db2.gz XKVFTCVBKBBXIR-MELADBBJSA-N 2 0 351.451 -0.541 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]CCN3CCCS3(=O)=O)C2)CC[N@@H+]1C ZINC001018864920 662150048 /nfs/dbraw/zinc/15/00/48/662150048.db2.gz AOUWJQHAQWNMRM-QLFBSQMISA-N 2 0 358.508 -0.447 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CC(=O)N3CCOCC3)C2)CC[N@@H+]1C ZINC001018872312 662150044 /nfs/dbraw/zinc/15/00/44/662150044.db2.gz DHKBNFVBWFYBLM-HRCADAONSA-N 2 0 352.479 -0.234 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CCN3C(=O)CNC3=O)C2)CC[N@@H+]1C ZINC001018872868 662150056 /nfs/dbraw/zinc/15/00/56/662150056.db2.gz JPEPQAMYSYCXHH-MELADBBJSA-N 2 0 351.451 -0.541 20 0 FBADRP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1)C(N)=O ZINC001020166298 662156364 /nfs/dbraw/zinc/15/63/64/662156364.db2.gz XOSXTPXOMLILST-BTAUDXDXSA-N 2 0 352.479 -0.156 20 0 FBADRP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1)C(N)=O ZINC001020166299 662156451 /nfs/dbraw/zinc/15/64/51/662156451.db2.gz XOSXTPXOMLILST-WGIXJMRHSA-N 2 0 352.479 -0.156 20 0 FBADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCN3CCCS3(=O)=O)C2)CC[N@@H+]1C ZINC001020170972 662156643 /nfs/dbraw/zinc/15/66/43/662156643.db2.gz HEMMTRXXFHKZOF-KBUPBQIOSA-N 2 0 358.508 -0.401 20 0 FBADRP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@@H]([NH2+]CC(=O)N3CCO[C@H](C)C3)C2)CC[N@@H+]1C ZINC001020171913 662156784 /nfs/dbraw/zinc/15/67/84/662156784.db2.gz CTHXXYFYVXYBBX-OXGONZEZSA-N 2 0 352.479 -0.189 20 0 FBADRP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@@H]([NH2+]CC(=O)N3CCO[C@@H](C)C3)C2)CC[N@@H+]1C ZINC001020171914 662156832 /nfs/dbraw/zinc/15/68/32/662156832.db2.gz CTHXXYFYVXYBBX-XFIYOXNOSA-N 2 0 352.479 -0.189 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)N3CCOCC3)C2)CC[N@@H+]1C ZINC001020174453 662156792 /nfs/dbraw/zinc/15/67/92/662156792.db2.gz BNYNXDCPZZBONF-YHUYYLMFSA-N 2 0 352.479 -0.188 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CCN3C(=O)CNC3=O)C2)CC[N@@H+]1C ZINC001020175544 662156699 /nfs/dbraw/zinc/15/66/99/662156699.db2.gz UVAYVUXIMYYLPV-XDQVBPFNSA-N 2 0 351.451 -0.495 20 0 FBADRP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1)C(N)=O ZINC001022099108 657441184 /nfs/dbraw/zinc/44/11/84/657441184.db2.gz XOSXTPXOMLILST-GZFHQYITSA-N 2 0 352.479 -0.156 20 0 FBADRP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1)C(N)=O ZINC001022099112 657441094 /nfs/dbraw/zinc/44/10/94/657441094.db2.gz XOSXTPXOMLILST-JZYAIQKZSA-N 2 0 352.479 -0.156 20 0 FBADRP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]([NH2+]CC(=O)N3CCO[C@H](C)C3)C2)CC[N@@H+]1C ZINC001022103003 657441961 /nfs/dbraw/zinc/44/19/61/657441961.db2.gz CTHXXYFYVXYBBX-DGXTUMSLSA-N 2 0 352.479 -0.189 20 0 FBADRP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]([NH2+]CC(=O)N3CCO[C@@H](C)C3)C2)CC[N@@H+]1C ZINC001022103004 657441851 /nfs/dbraw/zinc/44/18/51/657441851.db2.gz CTHXXYFYVXYBBX-ZVDSWSACSA-N 2 0 352.479 -0.189 20 0 FBADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCN3CCCS3(=O)=O)C2)CC[N@@H+]1C ZINC001022104931 657441936 /nfs/dbraw/zinc/44/19/36/657441936.db2.gz HEMMTRXXFHKZOF-APIJFGDWSA-N 2 0 358.508 -0.401 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N3CCOCC3)C2)CC[N@@H+]1C ZINC001022109030 657442693 /nfs/dbraw/zinc/44/26/93/657442693.db2.gz BNYNXDCPZZBONF-XUWVNRHRSA-N 2 0 352.479 -0.188 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)CC[N@@H+]1C ZINC001022109864 657442596 /nfs/dbraw/zinc/44/25/96/657442596.db2.gz UVAYVUXIMYYLPV-RFQIPJPRSA-N 2 0 351.451 -0.495 20 0 FBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1O ZINC001023207823 657731252 /nfs/dbraw/zinc/73/12/52/657731252.db2.gz HREMWHOPTLXGAM-QLFBSQMISA-N 2 0 352.479 -0.357 20 0 FBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1O ZINC001023207824 657731450 /nfs/dbraw/zinc/73/14/50/657731450.db2.gz HREMWHOPTLXGAM-RBSFLKMASA-N 2 0 352.479 -0.357 20 0 FBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1O ZINC001023212834 657732478 /nfs/dbraw/zinc/73/24/78/657732478.db2.gz RTJBOIOCCCHYPI-QLFBSQMISA-N 2 0 350.463 -0.603 20 0 FBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1O ZINC001023212835 657732040 /nfs/dbraw/zinc/73/20/40/657732040.db2.gz RTJBOIOCCCHYPI-RBSFLKMASA-N 2 0 350.463 -0.603 20 0 FBADRP CC1CC[NH+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001023214295 657736149 /nfs/dbraw/zinc/73/61/49/657736149.db2.gz FIKLCGLDCWGSQL-BZUAXINKSA-N 2 0 352.479 -0.500 20 0 FBADRP CC1CC[NH+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001023214301 657736178 /nfs/dbraw/zinc/73/61/78/657736178.db2.gz FIKLCGLDCWGSQL-OWCLPIDISA-N 2 0 352.479 -0.500 20 0 FBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1O ZINC001023216444 657734632 /nfs/dbraw/zinc/73/46/32/657734632.db2.gz HFWORPJYPOTMRY-BZUAXINKSA-N 2 0 352.479 -0.500 20 0 FBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1O ZINC001023216446 657735249 /nfs/dbraw/zinc/73/52/49/657735249.db2.gz HFWORPJYPOTMRY-OWCLPIDISA-N 2 0 352.479 -0.500 20 0 FBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCC(C)(C)C2)C[C@H]1O ZINC001023216850 657735101 /nfs/dbraw/zinc/73/51/01/657735101.db2.gz OCOYBCLXUYSSMN-QLFBSQMISA-N 2 0 352.479 -0.500 20 0 FBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCC(C)(C)C2)C[C@H]1O ZINC001023216851 657734553 /nfs/dbraw/zinc/73/45/53/657734553.db2.gz OCOYBCLXUYSSMN-RBSFLKMASA-N 2 0 352.479 -0.500 20 0 FBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1O ZINC001023216947 657735210 /nfs/dbraw/zinc/73/52/10/657735210.db2.gz QGBGFSLGGNQNED-BZUAXINKSA-N 2 0 352.479 -0.356 20 0 FBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1O ZINC001023216948 657734742 /nfs/dbraw/zinc/73/47/42/657734742.db2.gz QGBGFSLGGNQNED-OWCLPIDISA-N 2 0 352.479 -0.356 20 0 FBADRP CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1)[NH+](C)C ZINC001023691595 657917471 /nfs/dbraw/zinc/91/74/71/657917471.db2.gz MYXYZBIYXCUWDX-BZUAXINKSA-N 2 0 354.495 -0.254 20 0 FBADRP CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1)[NH+](C)C ZINC001023691596 657917549 /nfs/dbraw/zinc/91/75/49/657917549.db2.gz MYXYZBIYXCUWDX-OWCLPIDISA-N 2 0 354.495 -0.254 20 0 FBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001023691763 657917629 /nfs/dbraw/zinc/91/76/29/657917629.db2.gz POXRLIBNKMQUIC-BZUAXINKSA-N 2 0 352.479 -0.500 20 0 FBADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001023691764 657917744 /nfs/dbraw/zinc/91/77/44/657917744.db2.gz POXRLIBNKMQUIC-OWCLPIDISA-N 2 0 352.479 -0.500 20 0 FBADRP C[NH+]1CCC(CC(=O)N[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2O)CC1 ZINC001023694249 657918579 /nfs/dbraw/zinc/91/85/79/657918579.db2.gz OVJLVTFQVIRGLH-HZPDHXFCSA-N 2 0 352.479 -0.498 20 0 FBADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001023694364 657918413 /nfs/dbraw/zinc/91/84/13/657918413.db2.gz ULHSTGYGTPMZNT-ARFHVFGLSA-N 2 0 352.479 -0.642 20 0 FBADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001023694365 657918560 /nfs/dbraw/zinc/91/85/60/657918560.db2.gz ULHSTGYGTPMZNT-BZUAXINKSA-N 2 0 352.479 -0.642 20 0 FBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001023706498 657924250 /nfs/dbraw/zinc/92/42/50/657924250.db2.gz RYKDUYPMCVNGCX-BZUAXINKSA-N 2 0 352.479 -0.357 20 0 FBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001023706499 657924559 /nfs/dbraw/zinc/92/45/59/657924559.db2.gz RYKDUYPMCVNGCX-OWCLPIDISA-N 2 0 352.479 -0.357 20 0 FBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]2O)C1 ZINC001023782223 657949162 /nfs/dbraw/zinc/94/91/62/657949162.db2.gz HTLWAOLUBPUHLV-RBSFLKMASA-N 2 0 350.463 -0.746 20 0 FBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]2O)C1 ZINC001023782224 657949205 /nfs/dbraw/zinc/94/92/05/657949205.db2.gz HTLWAOLUBPUHLV-RRFJBIMHSA-N 2 0 350.463 -0.746 20 0 FBADRP CC1CC[NH+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001023783913 657951143 /nfs/dbraw/zinc/95/11/43/657951143.db2.gz PEANLCMXKQMDKH-ARFHVFGLSA-N 2 0 352.479 -0.642 20 0 FBADRP CC1CC[NH+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001023783915 657950886 /nfs/dbraw/zinc/95/08/86/657950886.db2.gz PEANLCMXKQMDKH-BZUAXINKSA-N 2 0 352.479 -0.642 20 0 FBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@H]2O)C1 ZINC001023786754 657952027 /nfs/dbraw/zinc/95/20/27/657952027.db2.gz AYABFYOFUSCWJJ-ARFHVFGLSA-N 2 0 352.479 -0.498 20 0 FBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@H]2O)C1 ZINC001023786756 657952062 /nfs/dbraw/zinc/95/20/62/657952062.db2.gz AYABFYOFUSCWJJ-BZUAXINKSA-N 2 0 352.479 -0.498 20 0 FBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]2O)C1 ZINC001023786833 657952204 /nfs/dbraw/zinc/95/22/04/657952204.db2.gz BUCWHNYJFDXXDE-RBSFLKMASA-N 2 0 352.479 -0.500 20 0 FBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]2O)C1 ZINC001023786834 657952091 /nfs/dbraw/zinc/95/20/91/657952091.db2.gz BUCWHNYJFDXXDE-RRFJBIMHSA-N 2 0 352.479 -0.500 20 0 FBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@H]2O)C1 ZINC001023787598 657951977 /nfs/dbraw/zinc/95/19/77/657951977.db2.gz MKDAFEPQKJQBEI-ARFHVFGLSA-N 2 0 352.479 -0.642 20 0 FBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@H]2O)C1 ZINC001023787601 657951871 /nfs/dbraw/zinc/95/18/71/657951871.db2.gz MKDAFEPQKJQBEI-BZUAXINKSA-N 2 0 352.479 -0.642 20 0 FBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@H]2O)C1 ZINC001023788274 657952981 /nfs/dbraw/zinc/95/29/81/657952981.db2.gz UVCSLWJBPSDNIA-RBSFLKMASA-N 2 0 352.479 -0.642 20 0 FBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@H]2O)C1 ZINC001023788275 657953202 /nfs/dbraw/zinc/95/32/02/657953202.db2.gz UVCSLWJBPSDNIA-RRFJBIMHSA-N 2 0 352.479 -0.642 20 0 FBADRP CC1CC[NH+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)CC1 ZINC001023793337 657955443 /nfs/dbraw/zinc/95/54/43/657955443.db2.gz DVFNPBYAXRQZGI-HZPDHXFCSA-N 2 0 352.479 -0.498 20 0 FBADRP O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1O ZINC001023793409 657955555 /nfs/dbraw/zinc/95/55/55/657955555.db2.gz GDYRNMAGXCMEHU-HUUCEWRRSA-N 2 0 350.463 -0.602 20 0 FBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001023795503 657956765 /nfs/dbraw/zinc/95/67/65/657956765.db2.gz JITMTNFIUYJCNC-BZUAXINKSA-N 2 0 352.479 -0.356 20 0 FBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001023795505 657956466 /nfs/dbraw/zinc/95/64/66/657956466.db2.gz JITMTNFIUYJCNC-OWCLPIDISA-N 2 0 352.479 -0.356 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC001023795637 657956644 /nfs/dbraw/zinc/95/66/44/657956644.db2.gz LHJPADCHDXXHQT-ZJIFWQFVSA-N 2 0 352.479 -0.500 20 0 FBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001023795790 657956864 /nfs/dbraw/zinc/95/68/64/657956864.db2.gz RZCBJPMXKKAFKC-BZUAXINKSA-N 2 0 352.479 -0.356 20 0 FBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001023795791 657956603 /nfs/dbraw/zinc/95/66/03/657956603.db2.gz RZCBJPMXKKAFKC-OWCLPIDISA-N 2 0 352.479 -0.356 20 0 FBADRP O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1O ZINC001023795938 657956659 /nfs/dbraw/zinc/95/66/59/657956659.db2.gz YXQNNTQMBMORIV-HZPDHXFCSA-N 2 0 352.479 -0.354 20 0 FBADRP C[NH+]1CCC(CC(=O)N2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)CC1 ZINC001023796492 657956542 /nfs/dbraw/zinc/95/65/42/657956542.db2.gz FUHMNHWSKFQZJV-HZPDHXFCSA-N 2 0 352.479 -0.498 20 0 FBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001023796568 657956546 /nfs/dbraw/zinc/95/65/46/657956546.db2.gz GQPUIRQOOJNZFT-BZUAXINKSA-N 2 0 352.479 -0.357 20 0 FBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001023796569 657956901 /nfs/dbraw/zinc/95/69/01/657956901.db2.gz GQPUIRQOOJNZFT-OWCLPIDISA-N 2 0 352.479 -0.357 20 0 FBADRP O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1O ZINC001023796788 657955744 /nfs/dbraw/zinc/95/57/44/657955744.db2.gz LZCKBIAYEIWJPA-ARFHVFGLSA-N 2 0 350.463 -0.888 20 0 FBADRP O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1O ZINC001023796789 657955464 /nfs/dbraw/zinc/95/54/64/657955464.db2.gz LZCKBIAYEIWJPA-BZUAXINKSA-N 2 0 350.463 -0.888 20 0 FBADRP CC1(C)CC[N@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)C1 ZINC001023797191 657957556 /nfs/dbraw/zinc/95/75/56/657957556.db2.gz WPWSOJPJJKENPE-HUUCEWRRSA-N 2 0 352.479 -0.498 20 0 FBADRP CC(C)(C(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1)[NH+]1CCCC1 ZINC001023798462 657956821 /nfs/dbraw/zinc/95/68/21/657956821.db2.gz RMQFKAOXKGKGQN-HUUCEWRRSA-N 2 0 352.479 -0.356 20 0 FBADRP O=C(C[NH+]1CCCC1)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001023861760 657976935 /nfs/dbraw/zinc/97/69/35/657976935.db2.gz FGDUDGSHFKYUBC-ARFHVFGLSA-N 2 0 350.463 -0.888 20 0 FBADRP O=C(C[NH+]1CCCC1)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001023861761 657976994 /nfs/dbraw/zinc/97/69/94/657976994.db2.gz FGDUDGSHFKYUBC-BZUAXINKSA-N 2 0 350.463 -0.888 20 0 FBADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2O)CC[N@@H+]1C ZINC001023967423 658005406 /nfs/dbraw/zinc/00/54/06/658005406.db2.gz AHKACPCWXLXJEP-DTZQCDIJSA-N 2 0 352.479 -0.644 20 0 FBADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@H]2O)CC[N@@H+]1C ZINC001023967556 658005576 /nfs/dbraw/zinc/00/55/76/658005576.db2.gz DXAZMAAQERWWBW-DTZQCDIJSA-N 2 0 352.479 -0.501 20 0 FBADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]2O)CC[N@@H+]1C ZINC001023969044 658005423 /nfs/dbraw/zinc/00/54/23/658005423.db2.gz DUFFPYQQGMSUBE-KBUPBQIOSA-N 2 0 352.479 -0.501 20 0 FBADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2O)CC[N@@H+]1C ZINC001023972075 658006915 /nfs/dbraw/zinc/00/69/15/658006915.db2.gz IWPXAPLDLJUQII-KBUPBQIOSA-N 2 0 350.463 -0.890 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2O)CC[N@@H+]1C ZINC001023980534 658008929 /nfs/dbraw/zinc/00/89/29/658008929.db2.gz SVEYNNONQSDYMK-ZJIFWQFVSA-N 2 0 352.479 -0.500 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)C2)CC[N@@H+]1C ZINC001023993095 658013030 /nfs/dbraw/zinc/01/30/30/658013030.db2.gz AAXLFRHQRLPYQT-HZSPNIEDSA-N 2 0 350.467 -0.223 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)C2)CC[N@@H+]1C ZINC001023993096 658013168 /nfs/dbraw/zinc/01/31/68/658013168.db2.gz AAXLFRHQRLPYQT-MGPQQGTHSA-N 2 0 350.467 -0.223 20 0 FBADRP C[C@@H]1CN(C)C[C@H](C(=O)N2CCC[C@@H](C[NH2+]Cc3ncnn3C)C2)O1 ZINC001024039028 658027423 /nfs/dbraw/zinc/02/74/23/658027423.db2.gz MVXMVMGRHRGANY-QLFBSQMISA-N 2 0 350.467 -0.138 20 0 FBADRP C[C@@H]1CN(C)C[C@H](C(=O)N2CCC[C@H](C[NH2+]Cc3ncnn3C)C2)O1 ZINC001024039029 658027249 /nfs/dbraw/zinc/02/72/49/658027249.db2.gz MVXMVMGRHRGANY-RBSFLKMASA-N 2 0 350.467 -0.138 20 0 FBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001024120424 658057490 /nfs/dbraw/zinc/05/74/90/658057490.db2.gz CGOJBNSDWBRQAH-BZUAXINKSA-N 2 0 352.479 -0.356 20 0 FBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001024120425 658057726 /nfs/dbraw/zinc/05/77/26/658057726.db2.gz CGOJBNSDWBRQAH-OWCLPIDISA-N 2 0 352.479 -0.356 20 0 FBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001024137666 658063157 /nfs/dbraw/zinc/06/31/57/658063157.db2.gz VPCSSJKFQRLREZ-BZUAXINKSA-N 2 0 352.479 -0.356 20 0 FBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001024137667 658062838 /nfs/dbraw/zinc/06/28/38/658062838.db2.gz VPCSSJKFQRLREZ-OWCLPIDISA-N 2 0 352.479 -0.356 20 0 FBADRP C[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@H]2O)CC1 ZINC001024411490 658152495 /nfs/dbraw/zinc/15/24/95/658152495.db2.gz NVOCQQGOCFDWQU-BZUAXINKSA-N 2 0 352.479 -0.500 20 0 FBADRP C[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@H]2O)CC1 ZINC001024411491 658152319 /nfs/dbraw/zinc/15/23/19/658152319.db2.gz NVOCQQGOCFDWQU-OWCLPIDISA-N 2 0 352.479 -0.500 20 0 FBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001024415884 658148674 /nfs/dbraw/zinc/14/86/74/658148674.db2.gz FROZUCBXEMSAAG-FVQBIDKESA-N 2 0 352.479 -0.500 20 0 FBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001024415885 658148842 /nfs/dbraw/zinc/14/88/42/658148842.db2.gz FROZUCBXEMSAAG-NUEKZKHPSA-N 2 0 352.479 -0.500 20 0 FBADRP C[NH+](C)[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1)C1CC1 ZINC001024415888 658148951 /nfs/dbraw/zinc/14/89/51/658148951.db2.gz FSRKKOXTLAAMCV-BZUAXINKSA-N 2 0 352.479 -0.644 20 0 FBADRP C[NH+](C)[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1)C1CC1 ZINC001024415891 658148901 /nfs/dbraw/zinc/14/89/01/658148901.db2.gz FSRKKOXTLAAMCV-OAGGEKHMSA-N 2 0 352.479 -0.644 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC001024415955 658148651 /nfs/dbraw/zinc/14/86/51/658148651.db2.gz GXNZOPSKKWLSSO-DTZQCDIJSA-N 2 0 352.479 -0.644 20 0 FBADRP C[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2O)CC1 ZINC001024416333 658149642 /nfs/dbraw/zinc/14/96/42/658149642.db2.gz PNNOHIBBEJXJDM-HZPDHXFCSA-N 2 0 352.479 -0.642 20 0 FBADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001024416421 658149667 /nfs/dbraw/zinc/14/96/67/658149667.db2.gz RBEKPBGFQWZWEQ-FVQBIDKESA-N 2 0 352.479 -0.642 20 0 FBADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001024416423 658149846 /nfs/dbraw/zinc/14/98/46/658149846.db2.gz RBEKPBGFQWZWEQ-NUEKZKHPSA-N 2 0 352.479 -0.642 20 0 FBADRP C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H](O)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001024416485 658149917 /nfs/dbraw/zinc/14/99/17/658149917.db2.gz AEESTNQPBBFLMA-FVQBIDKESA-N 2 0 352.479 -0.642 20 0 FBADRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H](O)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001024416486 658149822 /nfs/dbraw/zinc/14/98/22/658149822.db2.gz AEESTNQPBBFLMA-NUEKZKHPSA-N 2 0 352.479 -0.642 20 0 FBADRP C[N@H+](CC(=O)N1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1)C1CCC1 ZINC001024416624 658149737 /nfs/dbraw/zinc/14/97/37/658149737.db2.gz UBRRCEKHTVSHMJ-HZPDHXFCSA-N 2 0 352.479 -0.500 20 0 FBADRP C[NH+](C)C1(C(=O)N2C[C@@H](O)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)CCC1 ZINC001024416681 658149897 /nfs/dbraw/zinc/14/98/97/658149897.db2.gz VBBPEZSQQUEUPJ-HUUCEWRRSA-N 2 0 352.479 -0.500 20 0 FBADRP CC(C)[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1)[NH+](C)C ZINC001024416932 658149726 /nfs/dbraw/zinc/14/97/26/658149726.db2.gz YCLUYVIMSBIJSZ-OAGGEKHMSA-N 2 0 354.495 -0.398 20 0 FBADRP C[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2O)CC1 ZINC001024417330 658149702 /nfs/dbraw/zinc/14/97/02/658149702.db2.gz NZUWVSYZBGXGTD-HUUCEWRRSA-N 2 0 350.463 -0.888 20 0 FBADRP CC(C)[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1)[NH+](C)C ZINC001024417789 658150713 /nfs/dbraw/zinc/15/07/13/658150713.db2.gz YCLUYVIMSBIJSZ-BZUAXINKSA-N 2 0 354.495 -0.398 20 0 FBADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCN2Cc2nc(=O)n(C)[nH]2)CC[N@@H+]1C ZINC001024446775 658157769 /nfs/dbraw/zinc/15/77/69/658157769.db2.gz JCWYGFXWGCOQEJ-HZSPNIEDSA-N 2 0 350.467 -0.081 20 0 FBADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCN2Cc2nc(=O)n(C)[nH]2)CC[N@@H+]1C ZINC001024446776 658157622 /nfs/dbraw/zinc/15/76/22/658157622.db2.gz JCWYGFXWGCOQEJ-MGPQQGTHSA-N 2 0 350.467 -0.081 20 0 FBADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1O ZINC001024498636 658185055 /nfs/dbraw/zinc/18/50/55/658185055.db2.gz HWIUWEGADWXWMR-QLFBSQMISA-N 2 0 350.463 -0.746 20 0 FBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1O ZINC001024498637 658185323 /nfs/dbraw/zinc/18/53/23/658185323.db2.gz HWIUWEGADWXWMR-RBSFLKMASA-N 2 0 350.463 -0.746 20 0 FBADRP C[NH+](C)C1(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)CCC1 ZINC001024501251 658189242 /nfs/dbraw/zinc/18/92/42/658189242.db2.gz GZNKMNIGGTWWGV-QLFBSQMISA-N 2 0 352.479 -0.357 20 0 FBADRP C[NH+](C)C1(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C2)CCC1 ZINC001024501252 658189108 /nfs/dbraw/zinc/18/91/08/658189108.db2.gz GZNKMNIGGTWWGV-RBSFLKMASA-N 2 0 352.479 -0.357 20 0 FBADRP C[NH+]1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001024502710 658186295 /nfs/dbraw/zinc/18/62/95/658186295.db2.gz ZHPLVZZZQRQLEC-BZUAXINKSA-N 2 0 352.479 -0.500 20 0 FBADRP C[NH+]1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001024502712 658186389 /nfs/dbraw/zinc/18/63/89/658186389.db2.gz ZHPLVZZZQRQLEC-OWCLPIDISA-N 2 0 352.479 -0.500 20 0 FBADRP C[N@H+](CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1)C1CCC1 ZINC001024504148 658188060 /nfs/dbraw/zinc/18/80/60/658188060.db2.gz OKNQKWRKIYLCDI-BZUAXINKSA-N 2 0 352.479 -0.357 20 0 FBADRP C[N@H+](CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1)C1CCC1 ZINC001024504150 658188167 /nfs/dbraw/zinc/18/81/67/658188167.db2.gz OKNQKWRKIYLCDI-OWCLPIDISA-N 2 0 352.479 -0.357 20 0 FBADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001024744435 658278007 /nfs/dbraw/zinc/27/80/07/658278007.db2.gz SIXHXBYVZLAXFD-QLFBSQMISA-N 2 0 350.463 -0.603 20 0 FBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001024744436 658278155 /nfs/dbraw/zinc/27/81/55/658278155.db2.gz SIXHXBYVZLAXFD-RBSFLKMASA-N 2 0 350.463 -0.603 20 0 FBADRP CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1)[NH+](C)C ZINC001024745740 658278292 /nfs/dbraw/zinc/27/82/92/658278292.db2.gz IRTMLYLNOCIKTJ-QLFBSQMISA-N 2 0 352.479 -0.357 20 0 FBADRP CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1)[NH+](C)C ZINC001024745741 658278089 /nfs/dbraw/zinc/27/80/89/658278089.db2.gz IRTMLYLNOCIKTJ-RBSFLKMASA-N 2 0 352.479 -0.357 20 0 FBADRP O=C(C[NH+]1CCCC1)N1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001024745882 658278760 /nfs/dbraw/zinc/27/87/60/658278760.db2.gz PQIDHPZYDVNYEQ-HUUCEWRRSA-N 2 0 350.463 -0.602 20 0 FBADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001024746085 658278954 /nfs/dbraw/zinc/27/89/54/658278954.db2.gz YVBMMOFLPALPIE-RBSFLKMASA-N 2 0 350.463 -0.746 20 0 FBADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001024746086 658278859 /nfs/dbraw/zinc/27/88/59/658278859.db2.gz YVBMMOFLPALPIE-RRFJBIMHSA-N 2 0 350.463 -0.746 20 0 FBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2O)C1 ZINC001024773656 658286493 /nfs/dbraw/zinc/28/64/93/658286493.db2.gz CHJZBVRWFIZHCZ-RBSFLKMASA-N 2 0 350.463 -0.888 20 0 FBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2O)C1 ZINC001024773657 658286060 /nfs/dbraw/zinc/28/60/60/658286060.db2.gz CHJZBVRWFIZHCZ-RRFJBIMHSA-N 2 0 350.463 -0.888 20 0 FBADRP C[N@H+](CC(=O)N1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1)C1CCC1 ZINC001024776443 658289252 /nfs/dbraw/zinc/28/92/52/658289252.db2.gz BYWRCLIMVAVCGV-FVQBIDKESA-N 2 0 352.479 -0.500 20 0 FBADRP C[N@H+](CC(=O)N1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1)C1CCC1 ZINC001024776446 658289111 /nfs/dbraw/zinc/28/91/11/658289111.db2.gz BYWRCLIMVAVCGV-NUEKZKHPSA-N 2 0 352.479 -0.500 20 0 FBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2O)C1 ZINC001024776656 658289216 /nfs/dbraw/zinc/28/92/16/658289216.db2.gz IGMFWCYCDSZJEX-FVQBIDKESA-N 2 0 352.479 -0.642 20 0 FBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2O)C1 ZINC001024776657 658289387 /nfs/dbraw/zinc/28/93/87/658289387.db2.gz IGMFWCYCDSZJEX-NUEKZKHPSA-N 2 0 352.479 -0.642 20 0 FBADRP C[NH+](C)C1(C(=O)N2C[C@@H](O)[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)CCC1 ZINC001024779890 658289194 /nfs/dbraw/zinc/28/91/94/658289194.db2.gz WFHAEWOEFBNJHF-RBSFLKMASA-N 2 0 352.479 -0.500 20 0 FBADRP C[NH+](C)C1(C(=O)N2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)CCC1 ZINC001024779893 658289019 /nfs/dbraw/zinc/28/90/19/658289019.db2.gz WFHAEWOEFBNJHF-RRFJBIMHSA-N 2 0 352.479 -0.500 20 0 FBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001024787083 658291132 /nfs/dbraw/zinc/29/11/32/658291132.db2.gz CYDNXHBQLXWMKM-QLFBSQMISA-N 2 0 350.463 -0.746 20 0 FBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001024787086 658290956 /nfs/dbraw/zinc/29/09/56/658290956.db2.gz CYDNXHBQLXWMKM-RBSFLKMASA-N 2 0 350.463 -0.746 20 0 FBADRP C[NH+]1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)CC1 ZINC001024787282 658290344 /nfs/dbraw/zinc/29/03/44/658290344.db2.gz HRARFDSTNAZMMX-HUUCEWRRSA-N 2 0 350.463 -0.888 20 0 FBADRP C[N@H+](CC(=O)N1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1)C1CCC1 ZINC001024787378 658292158 /nfs/dbraw/zinc/29/21/58/658292158.db2.gz LGQRDQLNYVYIGO-HUUCEWRRSA-N 2 0 350.463 -0.746 20 0 FBADRP CC(C)[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1)[NH+](C)C ZINC001024787441 658292140 /nfs/dbraw/zinc/29/21/40/658292140.db2.gz NKDDOGQEORRMAU-KFWWJZLASA-N 2 0 352.479 -0.644 20 0 FBADRP CC(C)[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1)[NH+](C)C ZINC001024787442 658292251 /nfs/dbraw/zinc/29/22/51/658292251.db2.gz NKDDOGQEORRMAU-RBSFLKMASA-N 2 0 352.479 -0.644 20 0 FBADRP C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001024787693 658292114 /nfs/dbraw/zinc/29/21/14/658292114.db2.gz WBFNSNIIHPMITR-RBSFLKMASA-N 2 0 350.463 -0.888 20 0 FBADRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001024787695 658291950 /nfs/dbraw/zinc/29/19/50/658291950.db2.gz WBFNSNIIHPMITR-RRFJBIMHSA-N 2 0 350.463 -0.888 20 0 FBADRP C[NH+](C)C1(C(=O)N2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)CCC1 ZINC001024788520 658292215 /nfs/dbraw/zinc/29/22/15/658292215.db2.gz KWGZJVSGMPSDLA-ZIAGYGMSSA-N 2 0 350.463 -0.746 20 0 FBADRP C[NH+](C)[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1)C1CC1 ZINC001024788754 658292198 /nfs/dbraw/zinc/29/21/98/658292198.db2.gz NWFUELRQQYPCPQ-KFWWJZLASA-N 2 0 350.463 -0.890 20 0 FBADRP C[NH+](C)[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1)C1CC1 ZINC001024788755 658292027 /nfs/dbraw/zinc/29/20/27/658292027.db2.gz NWFUELRQQYPCPQ-RBSFLKMASA-N 2 0 350.463 -0.890 20 0 FBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001024788974 658292700 /nfs/dbraw/zinc/29/27/00/658292700.db2.gz SBLCOIBTBXRYLT-RBSFLKMASA-N 2 0 350.463 -0.746 20 0 FBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001024788975 658293058 /nfs/dbraw/zinc/29/30/58/658293058.db2.gz SBLCOIBTBXRYLT-RRFJBIMHSA-N 2 0 350.463 -0.746 20 0 FBADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001024789132 658292793 /nfs/dbraw/zinc/29/27/93/658292793.db2.gz WYGZMGSCENCBKY-RBSFLKMASA-N 2 0 350.463 -0.888 20 0 FBADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001024789133 658292954 /nfs/dbraw/zinc/29/29/54/658292954.db2.gz WYGZMGSCENCBKY-RRFJBIMHSA-N 2 0 350.463 -0.888 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)CC[N@@H+]1C ZINC001024790879 658293039 /nfs/dbraw/zinc/29/30/39/658293039.db2.gz FPSWUHSVVYAJPA-KBUPBQIOSA-N 2 0 350.463 -0.890 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]Cc2nc(=O)n(C)[nH]2)CC[N@@H+]1C ZINC001024966741 658342152 /nfs/dbraw/zinc/34/21/52/658342152.db2.gz BLSULZOXOVULGO-MGPQQGTHSA-N 2 0 350.467 -0.081 20 0 FBADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001024999367 658351785 /nfs/dbraw/zinc/35/17/85/658351785.db2.gz QHGIRTQUPXFNFB-QLFBSQMISA-N 2 0 352.479 -0.357 20 0 FBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001024999368 658351963 /nfs/dbraw/zinc/35/19/63/658351963.db2.gz QHGIRTQUPXFNFB-RBSFLKMASA-N 2 0 352.479 -0.357 20 0 FBADRP CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1)[NH+](C)C ZINC001024999506 658351618 /nfs/dbraw/zinc/35/16/18/658351618.db2.gz SJINKSUKZHIBMY-QLFBSQMISA-N 2 0 354.495 -0.111 20 0 FBADRP CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1)[NH+](C)C ZINC001024999508 658351920 /nfs/dbraw/zinc/35/19/20/658351920.db2.gz SJINKSUKZHIBMY-RBSFLKMASA-N 2 0 354.495 -0.111 20 0 FBADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001025000620 658351311 /nfs/dbraw/zinc/35/13/11/658351311.db2.gz HZHSRWNYGYRNGQ-RBSFLKMASA-N 2 0 352.479 -0.500 20 0 FBADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001025000621 658350922 /nfs/dbraw/zinc/35/09/22/658350922.db2.gz HZHSRWNYGYRNGQ-RRFJBIMHSA-N 2 0 352.479 -0.500 20 0 FBADRP CC(C)(C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O)[NH+]1CCCC1 ZINC001025001028 658351988 /nfs/dbraw/zinc/35/19/88/658351988.db2.gz KXSGENRETTVLSJ-HUUCEWRRSA-N 2 0 352.479 -0.356 20 0 FBADRP C[C@H]1C[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC[NH+]3C)C2)CC[N@@H+]1C ZINC001025014530 658360135 /nfs/dbraw/zinc/36/01/35/658360135.db2.gz XGGLBJOUJJBDIB-AALSBFMBSA-N 2 0 352.479 -0.501 20 0 FBADRP C[NH+]1CCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001025135029 658391102 /nfs/dbraw/zinc/39/11/02/658391102.db2.gz RYVFYHHSBIZNNO-FXUDXRNXSA-N 2 0 352.479 -0.357 20 0 FBADRP CC(C)[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1)[NH+](C)C ZINC001025135435 658390983 /nfs/dbraw/zinc/39/09/83/658390983.db2.gz ZTAXNGNIPQTBOC-QKPAOTATSA-N 2 0 354.495 -0.255 20 0 FBADRP CC(C)[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1)[NH+](C)C ZINC001025136661 658391293 /nfs/dbraw/zinc/39/12/93/658391293.db2.gz ZTAXNGNIPQTBOC-QXSJWSMHSA-N 2 0 354.495 -0.255 20 0 FBADRP CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1)[NH+](C)C ZINC001025216346 658430703 /nfs/dbraw/zinc/43/07/03/658430703.db2.gz JDAHELMRFXHFSH-AALSBFMBSA-N 2 0 354.495 -0.255 20 0 FBADRP CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1)[NH+](C)C ZINC001025216347 658430310 /nfs/dbraw/zinc/43/03/10/658430310.db2.gz JDAHELMRFXHFSH-ARKGTOAJSA-N 2 0 354.495 -0.255 20 0 FBADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2O)CC[N@@H+]1C ZINC001025216543 658431344 /nfs/dbraw/zinc/43/13/44/658431344.db2.gz NVNJDEWSZNXGPU-CAOSSQGBSA-N 2 0 352.479 -0.500 20 0 FBADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@H]2O)CC[N@@H+]1C ZINC001025216832 658431415 /nfs/dbraw/zinc/43/14/15/658431415.db2.gz UKPMNJYSZIDFRO-AALSBFMBSA-N 2 0 352.479 -0.501 20 0 FBADRP CC1CC[NH+](CC(=O)N[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]2O)CC1 ZINC001025290633 658453835 /nfs/dbraw/zinc/45/38/35/658453835.db2.gz UWMWYMMCIAJELE-BZUAXINKSA-N 2 0 352.479 -0.500 20 0 FBADRP CC1CC[NH+](CC(=O)N[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]2O)CC1 ZINC001025290634 658453888 /nfs/dbraw/zinc/45/38/88/658453888.db2.gz UWMWYMMCIAJELE-OWCLPIDISA-N 2 0 352.479 -0.500 20 0 FBADRP CC1CC[NH+](CC(=O)N[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2O)CC1 ZINC001025292142 658455278 /nfs/dbraw/zinc/45/52/78/658455278.db2.gz LZKIGPHBBFDALW-HZPDHXFCSA-N 2 0 352.479 -0.498 20 0 FBADRP CC1CC[NH+](CC(=O)N[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2O)CC1 ZINC001025292309 658455310 /nfs/dbraw/zinc/45/53/10/658455310.db2.gz PBZDBIQUMLYILS-ARFHVFGLSA-N 2 0 352.479 -0.642 20 0 FBADRP CC1CC[NH+](CC(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2O)CC1 ZINC001025292310 658455247 /nfs/dbraw/zinc/45/52/47/658455247.db2.gz PBZDBIQUMLYILS-BZUAXINKSA-N 2 0 352.479 -0.642 20 0 FBADRP CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1)[NH+](C)C ZINC001025292482 658455221 /nfs/dbraw/zinc/45/52/21/658455221.db2.gz SMERHGMKTFYSGS-BZUAXINKSA-N 2 0 354.495 -0.254 20 0 FBADRP CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1)[NH+](C)C ZINC001025292483 658454860 /nfs/dbraw/zinc/45/48/60/658454860.db2.gz SMERHGMKTFYSGS-OWCLPIDISA-N 2 0 354.495 -0.254 20 0 FBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@H]1O ZINC001025683586 658582368 /nfs/dbraw/zinc/58/23/68/658582368.db2.gz PDQSIOUVAIYMAX-FVQBIDKESA-N 2 0 352.479 -0.357 20 0 FBADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@H]1O ZINC001025683587 658582917 /nfs/dbraw/zinc/58/29/17/658582917.db2.gz PDQSIOUVAIYMAX-NUEKZKHPSA-N 2 0 352.479 -0.357 20 0 FBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1O ZINC001025683631 658583014 /nfs/dbraw/zinc/58/30/14/658583014.db2.gz QKKQQFWUMMYEFU-FVQBIDKESA-N 2 0 352.479 -0.500 20 0 FBADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1O ZINC001025683632 658582735 /nfs/dbraw/zinc/58/27/35/658582735.db2.gz QKKQQFWUMMYEFU-NUEKZKHPSA-N 2 0 352.479 -0.500 20 0 FBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1O ZINC001025683764 658582550 /nfs/dbraw/zinc/58/25/50/658582550.db2.gz RKJOAMOLNZLTRX-RBSFLKMASA-N 2 0 350.463 -0.746 20 0 FBADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1O ZINC001025683765 658582201 /nfs/dbraw/zinc/58/22/01/658582201.db2.gz RKJOAMOLNZLTRX-RRFJBIMHSA-N 2 0 350.463 -0.746 20 0 FBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1O ZINC001025684544 658582101 /nfs/dbraw/zinc/58/21/01/658582101.db2.gz LOWRURZXXCDIQE-RBSFLKMASA-N 2 0 352.479 -0.357 20 0 FBADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1O ZINC001025684545 658582658 /nfs/dbraw/zinc/58/26/58/658582658.db2.gz LOWRURZXXCDIQE-RRFJBIMHSA-N 2 0 352.479 -0.357 20 0 FBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2O)C1 ZINC001025685599 658583727 /nfs/dbraw/zinc/58/37/27/658583727.db2.gz OUPOXKDOYFBKSG-RBSFLKMASA-N 2 0 350.463 -0.888 20 0 FBADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2O)C1 ZINC001025685600 658583520 /nfs/dbraw/zinc/58/35/20/658583520.db2.gz OUPOXKDOYFBKSG-RRFJBIMHSA-N 2 0 350.463 -0.888 20 0 FBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2O)C1 ZINC001025687146 658586278 /nfs/dbraw/zinc/58/62/78/658586278.db2.gz MVSAETXOFKKMQM-FVQBIDKESA-N 2 0 352.479 -0.642 20 0 FBADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2O)C1 ZINC001025687171 658586416 /nfs/dbraw/zinc/58/64/16/658586416.db2.gz MVSAETXOFKKMQM-NUEKZKHPSA-N 2 0 352.479 -0.642 20 0 FBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]2O)C1 ZINC001025687441 658587613 /nfs/dbraw/zinc/58/76/13/658587613.db2.gz TWHILTMQRYGNON-RBSFLKMASA-N 2 0 352.479 -0.500 20 0 FBADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]2O)C1 ZINC001025687442 658587530 /nfs/dbraw/zinc/58/75/30/658587530.db2.gz TWHILTMQRYGNON-RRFJBIMHSA-N 2 0 352.479 -0.500 20 0 FBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@H]2O)C1 ZINC001025687515 658587104 /nfs/dbraw/zinc/58/71/04/658587104.db2.gz VREXVWKUOROYGK-FVQBIDKESA-N 2 0 352.479 -0.500 20 0 FBADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@H]2O)C1 ZINC001025687516 658587253 /nfs/dbraw/zinc/58/72/53/658587253.db2.gz VREXVWKUOROYGK-NUEKZKHPSA-N 2 0 352.479 -0.500 20 0 FBADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001025688690 658588590 /nfs/dbraw/zinc/58/85/90/658588590.db2.gz SWTNUASHJKMBSP-QLFBSQMISA-N 2 0 352.479 -0.500 20 0 FBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001025688691 658588445 /nfs/dbraw/zinc/58/84/45/658588445.db2.gz SWTNUASHJKMBSP-RBSFLKMASA-N 2 0 352.479 -0.500 20 0 FBADRP CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1)[NH+](C)C ZINC001025691062 658589591 /nfs/dbraw/zinc/58/95/91/658589591.db2.gz UXEFBPUCKUFUJF-QLFBSQMISA-N 2 0 354.495 -0.254 20 0 FBADRP CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1)[NH+](C)C ZINC001025691063 658589396 /nfs/dbraw/zinc/58/93/96/658589396.db2.gz UXEFBPUCKUFUJF-RBSFLKMASA-N 2 0 354.495 -0.254 20 0 FBADRP CC1(C)CC[N@H+](CC(=O)N[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2O)C1 ZINC001025691107 658589282 /nfs/dbraw/zinc/58/92/82/658589282.db2.gz XBDLQSIJCSCJBC-HUUCEWRRSA-N 2 0 352.479 -0.498 20 0 FBADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001025691305 658589636 /nfs/dbraw/zinc/58/96/36/658589636.db2.gz ZKDUWDCMTPHPQH-RBSFLKMASA-N 2 0 352.479 -0.642 20 0 FBADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001025691307 658589494 /nfs/dbraw/zinc/58/94/94/658589494.db2.gz ZKDUWDCMTPHPQH-RRFJBIMHSA-N 2 0 352.479 -0.642 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)C2)CC[N@@H+]1C ZINC001026855923 658710190 /nfs/dbraw/zinc/71/01/90/658710190.db2.gz QATNHYIHTHUTQU-HZSPNIEDSA-N 2 0 350.467 -0.223 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)C2)CC[N@@H+]1C ZINC001026855924 658710271 /nfs/dbraw/zinc/71/02/71/658710271.db2.gz QATNHYIHTHUTQU-MELADBBJSA-N 2 0 350.467 -0.223 20 0 FBADRP C[C@@H]1CN(C)C[C@H](C(=O)N2CCC[C@@H](N(C)CC(=O)N3CCC3)C2)O1 ZINC001027463522 658795164 /nfs/dbraw/zinc/79/51/64/658795164.db2.gz CAOCTSYKEUEZBS-BZUAXINKSA-N 2 0 352.479 -0.139 20 0 FBADRP C[C@@H]1CN(C)C[C@H](C(=O)N2CCC[C@H](N(C)CC(=O)N3CCC3)C2)O1 ZINC001027463523 658795347 /nfs/dbraw/zinc/79/53/47/658795347.db2.gz CAOCTSYKEUEZBS-OWCLPIDISA-N 2 0 352.479 -0.139 20 0 FBADRP C[C@@H]1CN(C)C[C@H](C(=O)N2CCC[C@@H]([N@H+](C)CCn3cncn3)C2)O1 ZINC001027465377 658795409 /nfs/dbraw/zinc/79/54/09/658795409.db2.gz VUSYVUFNHJDFDO-BZUAXINKSA-N 2 0 350.467 -0.080 20 0 FBADRP C[C@@H]1CN(C)C[C@H](C(=O)N2CCC[C@H]([N@H+](C)CCn3cncn3)C2)O1 ZINC001027465379 658795457 /nfs/dbraw/zinc/79/54/57/658795457.db2.gz VUSYVUFNHJDFDO-OWCLPIDISA-N 2 0 350.467 -0.080 20 0 FBADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[NH+]2CCN2C(=O)CNC2=O)CC[N@@H+]1C ZINC001027894550 658848267 /nfs/dbraw/zinc/84/82/67/658848267.db2.gz NIVJKRNBEKEAAG-HZSPNIEDSA-N 2 0 351.451 -0.541 20 0 FBADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[NH+]2CCN2C(=O)CNC2=O)CC[N@@H+]1C ZINC001027894552 658848071 /nfs/dbraw/zinc/84/80/71/658848071.db2.gz NIVJKRNBEKEAAG-MGPQQGTHSA-N 2 0 351.451 -0.541 20 0 FBADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC[C@@H]2CC[N@H+](CC(N)=O)C2)CC1 ZINC001028547502 658927154 /nfs/dbraw/zinc/92/71/54/658927154.db2.gz WOWCXGPCFOGVLA-LXZKKBNFSA-N 2 0 352.479 -0.343 20 0 FBADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC[C@H]2CC[N@H+](CC(N)=O)C2)CC1 ZINC001028547503 658927340 /nfs/dbraw/zinc/92/73/40/658927340.db2.gz WOWCXGPCFOGVLA-UNEWFSDZSA-N 2 0 352.479 -0.343 20 0 FBADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+](CCN3C(=O)CNC3=O)C2)CC[N@@H+]1C ZINC001028549664 658927185 /nfs/dbraw/zinc/92/71/85/658927185.db2.gz UPAPIFHEFFCARJ-HZSPNIEDSA-N 2 0 351.451 -0.684 20 0 FBADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+](CCN3C(=O)CNC3=O)C2)CC[N@@H+]1C ZINC001028549665 658927356 /nfs/dbraw/zinc/92/73/56/658927356.db2.gz UPAPIFHEFFCARJ-MGPQQGTHSA-N 2 0 351.451 -0.684 20 0 FBADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+](CC(=O)N3CCOCC3)C2)CC[N@@H+]1C ZINC001028549955 658927452 /nfs/dbraw/zinc/92/74/52/658927452.db2.gz CSQCGYOIFXHPNV-BZUAXINKSA-N 2 0 352.479 -0.377 20 0 FBADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+](CC(=O)N3CCOCC3)C2)CC[N@@H+]1C ZINC001028549956 658927294 /nfs/dbraw/zinc/92/72/94/658927294.db2.gz CSQCGYOIFXHPNV-OWCLPIDISA-N 2 0 352.479 -0.377 20 0 FBADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+](CCN3C(=O)CCC3=O)C2)CC[N@@H+]1C ZINC001028550656 658927393 /nfs/dbraw/zinc/92/73/93/658927393.db2.gz FZANBUATDZOJJL-QLFBSQMISA-N 2 0 350.463 -0.086 20 0 FBADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+](CCN3C(=O)CCC3=O)C2)CC[N@@H+]1C ZINC001028550657 658927093 /nfs/dbraw/zinc/92/70/93/658927093.db2.gz FZANBUATDZOJJL-RBSFLKMASA-N 2 0 350.463 -0.086 20 0 FBADRP C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3[C@@H]2CCCNC2=O)O1 ZINC001029356208 659012530 /nfs/dbraw/zinc/01/25/30/659012530.db2.gz FCKXVCLOBCIYKH-IBEHDNSVSA-N 2 0 350.463 -0.341 20 0 FBADRP C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3[C@H]2CCCNC2=O)O1 ZINC001029356209 659012051 /nfs/dbraw/zinc/01/20/51/659012051.db2.gz FCKXVCLOBCIYKH-RBGFHDKUSA-N 2 0 350.463 -0.341 20 0 FBADRP C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3[C@@H]2CCN(C)C2=O)O1 ZINC001029356323 659012282 /nfs/dbraw/zinc/01/22/82/659012282.db2.gz JVNJERIADFAXDV-IBEHDNSVSA-N 2 0 350.463 -0.389 20 0 FBADRP C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3[C@H]2CCN(C)C2=O)O1 ZINC001029356324 659012385 /nfs/dbraw/zinc/01/23/85/659012385.db2.gz JVNJERIADFAXDV-RBGFHDKUSA-N 2 0 350.463 -0.389 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH+](C)Cc3nc(=O)n(C)[nH]3)C2)CC[N@@H+]1C ZINC001029742052 659882024 /nfs/dbraw/zinc/88/20/24/659882024.db2.gz JRXDVKIEJVMZHS-HZSPNIEDSA-N 2 0 350.467 -0.271 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH+](C)Cc3nc(=O)n(C)[nH]3)C2)CC[N@@H+]1C ZINC001029742053 659882126 /nfs/dbraw/zinc/88/21/26/659882126.db2.gz JRXDVKIEJVMZHS-MGPQQGTHSA-N 2 0 350.467 -0.271 20 0 FBADRP C[C@@H]1[C@H](C(=O)NCC2C[NH+](CCCN3C(=O)CNC3=O)C2)CC[N@@H+]1C ZINC001031681203 660212249 /nfs/dbraw/zinc/21/22/49/660212249.db2.gz IGSJPKGRCFRXQK-TZMCWYRMSA-N 2 0 351.451 -0.684 20 0 FBADRP C[C@@H]1[C@H](C(=O)NCC2C[NH+](C[C@H](O)CN3CCCC3=O)C2)CC[N@@H+]1C ZINC001031681847 660212519 /nfs/dbraw/zinc/21/25/19/660212519.db2.gz MBBKUICFPSFTTK-VNQPRFMTSA-N 2 0 352.479 -0.642 20 0 FBADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](C[C@H](O)CN3CCCC3=O)C2)CC[N@@H+]1C ZINC001032826527 660442565 /nfs/dbraw/zinc/44/25/65/660442565.db2.gz CEJSOPRAQSIGHU-FXUDXRNXSA-N 2 0 352.479 -0.500 20 0 FBADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH+](C[C@H](O)CN3CCCC3=O)C2)CC[N@@H+]1C ZINC001032836460 660457473 /nfs/dbraw/zinc/45/74/73/660457473.db2.gz CEJSOPRAQSIGHU-LVQVYYBASA-N 2 0 352.479 -0.500 20 0 FBADRP C[C@@H]1[C@H](C(=O)N[C@H]2CCCCN(Cc3nc(=O)n(C)[nH]3)C2)CC[N@@H+]1C ZINC001034215128 660495936 /nfs/dbraw/zinc/49/59/36/660495936.db2.gz WEXKYNVMYAUPSZ-HZSPNIEDSA-N 2 0 350.467 -0.081 20 0 FBADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCCN(Cc3nc(=O)n(C)[nH]3)C2)CC[N@@H+]1C ZINC001034215130 660496067 /nfs/dbraw/zinc/49/60/67/660496067.db2.gz WEXKYNVMYAUPSZ-MGPQQGTHSA-N 2 0 350.467 -0.081 20 0 FBADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3nc(=O)n(C)[nH]3)CC2)CC[N@@H+]1C ZINC001034647554 660499295 /nfs/dbraw/zinc/49/92/95/660499295.db2.gz LIEAROOOFIGMIC-AAVRWANBSA-N 2 0 350.467 -0.034 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2nc(=O)n(C)[nH]2)CC[N@@H+]1C ZINC001034941207 660502052 /nfs/dbraw/zinc/50/20/52/660502052.db2.gz MJQOHJHVKOPXJZ-HZSPNIEDSA-N 2 0 350.467 -0.081 20 0 FBADRP CC[NH+](CC)CC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001039788363 662162704 /nfs/dbraw/zinc/16/27/04/662162704.db2.gz ZCOPULXZHVWBNK-IIDMSEBBSA-N 2 0 354.495 -0.252 20 0 FBADRP CC[NH+](CC)CC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001039788364 662162682 /nfs/dbraw/zinc/16/26/82/662162682.db2.gz ZCOPULXZHVWBNK-RKVPGOIHSA-N 2 0 354.495 -0.252 20 0 FBADRP C[C@@H]1[C@H](C(=O)NC[C@]2(O)CCN(C(=O)CCC[NH+](C)C)C2)CC[N@@H+]1C ZINC001039857738 662163581 /nfs/dbraw/zinc/16/35/81/662163581.db2.gz GMNIPMXIPAYAGW-IIDMSEBBSA-N 2 0 354.495 -0.252 20 0 FBADRP C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CCN(C(=O)CCC[NH+](C)C)C2)CC[N@@H+]1C ZINC001039857740 662163605 /nfs/dbraw/zinc/16/36/05/662163605.db2.gz GMNIPMXIPAYAGW-RKVPGOIHSA-N 2 0 354.495 -0.252 20 0 FBADRP CC[N@H+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001039858582 662163978 /nfs/dbraw/zinc/16/39/78/662163978.db2.gz QWLSSQWSTBAQIS-IIDMSEBBSA-N 2 0 354.495 -0.252 20 0 FBADRP CC[N@H+](C)CCC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001039858583 662163861 /nfs/dbraw/zinc/16/38/61/662163861.db2.gz QWLSSQWSTBAQIS-RKVPGOIHSA-N 2 0 354.495 -0.252 20 0 FBADRP CC[NH+](CC)CC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001039858889 662163959 /nfs/dbraw/zinc/16/39/59/662163959.db2.gz VENUZMQOORWGIM-IIDMSEBBSA-N 2 0 354.495 -0.252 20 0 FBADRP CC[NH+](CC)CC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001039858891 662163848 /nfs/dbraw/zinc/16/38/48/662163848.db2.gz VENUZMQOORWGIM-RKVPGOIHSA-N 2 0 354.495 -0.252 20 0 FBADRP CCC[N@H+](C)CC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001039859126 662163920 /nfs/dbraw/zinc/16/39/20/662163920.db2.gz YAQAGWMJRYWMNA-IIDMSEBBSA-N 2 0 354.495 -0.252 20 0 FBADRP CCC[N@H+](C)CC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001039859128 662164035 /nfs/dbraw/zinc/16/40/35/662164035.db2.gz YAQAGWMJRYWMNA-RKVPGOIHSA-N 2 0 354.495 -0.252 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CCN(C(=O)CC[NH+](C)C)C2)CC[N@@H+]1C ZINC001039864388 662163878 /nfs/dbraw/zinc/16/38/78/662163878.db2.gz BNPMZHHXHJGAKQ-DAYGRLMNSA-N 2 0 354.495 -0.252 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CCN(C(=O)CC[NH+](C)C)C2)CC[N@@H+]1C ZINC001039864390 662164029 /nfs/dbraw/zinc/16/40/29/662164029.db2.gz BNPMZHHXHJGAKQ-HDMKZQKVSA-N 2 0 354.495 -0.252 20 0 FBADRP C[C@@H]1[C@H](C(=O)NC[C@]2(O)CCN(C(=O)C[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC001039867367 662164273 /nfs/dbraw/zinc/16/42/73/662164273.db2.gz HTEZCFNCDVIFJI-IIDMSEBBSA-N 2 0 352.479 -0.498 20 0 FBADRP C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CCN(C(=O)C[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC001039867368 662164250 /nfs/dbraw/zinc/16/42/50/662164250.db2.gz HTEZCFNCDVIFJI-RKVPGOIHSA-N 2 0 352.479 -0.498 20 0 FBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001039868195 662164277 /nfs/dbraw/zinc/16/42/77/662164277.db2.gz YRLBGKVWQCDIGE-IIDMSEBBSA-N 2 0 354.495 -0.254 20 0 FBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001039868196 662164309 /nfs/dbraw/zinc/16/43/09/662164309.db2.gz YRLBGKVWQCDIGE-RKVPGOIHSA-N 2 0 354.495 -0.254 20 0 FBADRP CC(C)[N@H+](C)CC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001040103874 662165309 /nfs/dbraw/zinc/16/53/09/662165309.db2.gz GIDWLKWUEDMLBU-IIDMSEBBSA-N 2 0 354.495 -0.254 20 0 FBADRP CC(C)[N@H+](C)CC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001040103875 662165212 /nfs/dbraw/zinc/16/52/12/662165212.db2.gz GIDWLKWUEDMLBU-RKVPGOIHSA-N 2 0 354.495 -0.254 20 0 FBADRP CCC[N@H+](C)CC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001040449822 662170430 /nfs/dbraw/zinc/17/04/30/662170430.db2.gz MAHMHBWVVCDWLM-IIDMSEBBSA-N 2 0 354.495 -0.252 20 0 FBADRP CCC[N@H+](C)CC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001040449823 662170564 /nfs/dbraw/zinc/17/05/64/662170564.db2.gz MAHMHBWVVCDWLM-RKVPGOIHSA-N 2 0 354.495 -0.252 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CC[C@@](O)(CNC(=O)CCC[NH+](C)C)C2)CC[N@@H+]1C ZINC001040718509 662173047 /nfs/dbraw/zinc/17/30/47/662173047.db2.gz MDWOBKVCCDXPFZ-IIDMSEBBSA-N 2 0 354.495 -0.252 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CC[C@](O)(CNC(=O)CCC[NH+](C)C)C2)CC[N@@H+]1C ZINC001040718510 662173041 /nfs/dbraw/zinc/17/30/41/662173041.db2.gz MDWOBKVCCDXPFZ-RKVPGOIHSA-N 2 0 354.495 -0.252 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@](O)(CNC(=O)CC[NH+](C)C)C2)CC[N@@H+]1C ZINC001040800990 662174014 /nfs/dbraw/zinc/17/40/14/662174014.db2.gz LZFGZDXOXVUVOK-DAYGRLMNSA-N 2 0 354.495 -0.252 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@](O)(CNC(=O)CC[NH+](C)C)C2)CC[N@@H+]1C ZINC001040800991 662173929 /nfs/dbraw/zinc/17/39/29/662173929.db2.gz LZFGZDXOXVUVOK-HDMKZQKVSA-N 2 0 354.495 -0.252 20 0 FBADRP CC[N@H+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001040901197 662174960 /nfs/dbraw/zinc/17/49/60/662174960.db2.gz GJZFVUPPCLWIRU-IIDMSEBBSA-N 2 0 354.495 -0.252 20 0 FBADRP CC[N@H+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001040901199 662174919 /nfs/dbraw/zinc/17/49/19/662174919.db2.gz GJZFVUPPCLWIRU-RKVPGOIHSA-N 2 0 354.495 -0.252 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N2CC(O)(CNC(=O)[C@H]3CCC[NH+]3C)C2)CC[N@@H+]1C ZINC001042103081 662207340 /nfs/dbraw/zinc/20/73/40/662207340.db2.gz AHCGABLRIFDGNX-RRFJBIMHSA-N 2 0 352.479 -0.500 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N2CC(O)(CNC(=O)[C@@H]3CCC[NH+]3C)C2)CC[N@@H+]1C ZINC001042103082 662207259 /nfs/dbraw/zinc/20/72/59/662207259.db2.gz AHCGABLRIFDGNX-ZNMIVQPWSA-N 2 0 352.479 -0.500 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N2CC(O)(CNC(=O)[C@@H]3CC[NH+](C)C3)C2)CC[N@@H+]1C ZINC001043119238 662222873 /nfs/dbraw/zinc/22/28/73/662222873.db2.gz XUBWTXKDSJPASN-QLFBSQMISA-N 2 0 352.479 -0.642 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N2CC(O)(CNC(=O)[C@H]3CC[NH+](C)C3)C2)CC[N@@H+]1C ZINC001043119239 662222749 /nfs/dbraw/zinc/22/27/49/662222749.db2.gz XUBWTXKDSJPASN-SOUVJXGZSA-N 2 0 352.479 -0.642 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N2CC(O)(CNC(=O)C[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC001043127169 662222852 /nfs/dbraw/zinc/22/28/52/662222852.db2.gz FQEIYSWYBBKOEC-LSDHHAIUSA-N 2 0 352.479 -0.498 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N2CC(O)(CNC(=O)C[NH+](CC)CC)C2)CC[N@@H+]1C ZINC001043160076 662223205 /nfs/dbraw/zinc/22/32/05/662223205.db2.gz SYUFOCDYMJVSMY-LSDHHAIUSA-N 2 0 354.495 -0.252 20 0 FBADRP 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C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC[NH+]1C ZINC001043266956 662226952 /nfs/dbraw/zinc/22/69/52/662226952.db2.gz OPQROLJFSHMWRE-KBUPBQIOSA-N 2 0 352.479 -0.644 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)NCC2(O)CN(C(=O)CCC[NH+](C)C)C2)CC[N@@H+]1C ZINC001043270914 662227369 /nfs/dbraw/zinc/22/73/69/662227369.db2.gz AGULOKSQBACRLD-LSDHHAIUSA-N 2 0 354.495 -0.252 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)NCC2(O)CN(C(=O)[C@H]3CCC[NH+]3C)C2)CC[N@@H+]1C ZINC001043271069 662227743 /nfs/dbraw/zinc/22/77/43/662227743.db2.gz BTBFLRZOBLQZLZ-RRFJBIMHSA-N 2 0 352.479 -0.500 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)NCC2(O)CN(C(=O)[C@@H]3CCC[NH+]3C)C2)CC[N@@H+]1C ZINC001043271072 662227687 /nfs/dbraw/zinc/22/76/87/662227687.db2.gz BTBFLRZOBLQZLZ-ZNMIVQPWSA-N 2 0 352.479 -0.500 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)NCC2(O)CN(C(=O)CC[NH+](C)CC)C2)CC[N@@H+]1C ZINC001043271303 662227800 /nfs/dbraw/zinc/22/78/00/662227800.db2.gz FQWNJACNKXORNR-LSDHHAIUSA-N 2 0 354.495 -0.252 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)NCC2(O)CN(C(=O)C[NH+](CC)CC)C2)CC[N@@H+]1C ZINC001043271306 662227700 /nfs/dbraw/zinc/22/77/00/662227700.db2.gz FZZHGUPDKZEKSK-LSDHHAIUSA-N 2 0 354.495 -0.252 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)NCC2(O)CN(C(=O)C[NH+](C)C(C)C)C2)CC[N@@H+]1C ZINC001043271613 662227647 /nfs/dbraw/zinc/22/76/47/662227647.db2.gz ITUMPCYZAYJIJD-LSDHHAIUSA-N 2 0 354.495 -0.254 20 0 FBADRP CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001043271973 662227733 /nfs/dbraw/zinc/22/77/33/662227733.db2.gz MINCRRRJAWIJRR-LSDHHAIUSA-N 2 0 354.495 -0.252 20 0 FBADRP CC[C@H](C(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1)[NH+](C)C ZINC001043273284 662227726 /nfs/dbraw/zinc/22/77/26/662227726.db2.gz ZLECMALJTAZNOU-RRFJBIMHSA-N 2 0 354.495 -0.254 20 0 FBADRP CC[C@@H](C(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1)[NH+](C)C ZINC001043273286 662228014 /nfs/dbraw/zinc/22/80/14/662228014.db2.gz ZLECMALJTAZNOU-ZNMIVQPWSA-N 2 0 354.495 -0.254 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)NCC2(O)CN(C(=O)[C@@H]3CC[NH+](C)C3)C2)CC[N@@H+]1C ZINC001043273685 662228125 /nfs/dbraw/zinc/22/81/25/662228125.db2.gz FLTNGMRWUDFLSY-QLFBSQMISA-N 2 0 352.479 -0.642 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)NCC2(O)CN(C(=O)[C@H]3CC[NH+](C)C3)C2)CC[N@@H+]1C ZINC001043273687 662227960 /nfs/dbraw/zinc/22/79/60/662227960.db2.gz FLTNGMRWUDFLSY-SOUVJXGZSA-N 2 0 352.479 -0.642 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)NCC2(O)CN(C(=O)C[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC001043275873 662228133 /nfs/dbraw/zinc/22/81/33/662228133.db2.gz WHVCXYNVEGBUSX-LSDHHAIUSA-N 2 0 352.479 -0.498 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N2CC(O)(CNC(=O)C[NH+](C)C(C)C)C2)CC[N@@H+]1C ZINC001043431950 662230414 /nfs/dbraw/zinc/23/04/14/662230414.db2.gz VNAAYWYNWIGYEA-LSDHHAIUSA-N 2 0 354.495 -0.254 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)C3([NH+](C)C)CCC3)C2)CC[N@@H+]1C ZINC001043453463 662230956 /nfs/dbraw/zinc/23/09/56/662230956.db2.gz BSOGSRPMZLGDEY-ZIAGYGMSSA-N 2 0 352.479 -0.500 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)[C@@H](C3CC3)[NH+](C)C)C2)CC[N@@H+]1C ZINC001043465078 662230858 /nfs/dbraw/zinc/23/08/58/662230858.db2.gz SATYDYHWFNUHOF-BPLDGKMQSA-N 2 0 352.479 -0.644 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)[C@H](C3CC3)[NH+](C)C)C2)CC[N@@H+]1C ZINC001043465080 662230917 /nfs/dbraw/zinc/23/09/17/662230917.db2.gz SATYDYHWFNUHOF-YUELXQCFSA-N 2 0 352.479 -0.644 20 0 FBADRP CC(C)[C@@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)[NH+](C)C ZINC001043470736 662231173 /nfs/dbraw/zinc/23/11/73/662231173.db2.gz XFBALVKKDWEHKI-KFWWJZLASA-N 2 0 354.495 -0.398 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)C[NH+](C)C3CCC3)C2)CC[N@@H+]1C ZINC001043538041 662231768 /nfs/dbraw/zinc/23/17/68/662231768.db2.gz YCSURJRXLCXGRU-UKRRQHHQSA-N 2 0 352.479 -0.500 20 0 FBADRP CC[N@H+](C)C(C)(C)C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001043613650 662232478 /nfs/dbraw/zinc/23/24/78/662232478.db2.gz UNSAMENXNSPQOK-ZIAGYGMSSA-N 2 0 354.495 -0.254 20 0 FBADRP CC[C@H](C(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1)[NH+](C)C ZINC001043680581 662235860 /nfs/dbraw/zinc/23/58/60/662235860.db2.gz HIJVBNGEQUEUDB-RRFJBIMHSA-N 2 0 354.495 -0.254 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)C3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC001043710674 662237206 /nfs/dbraw/zinc/23/72/06/662237206.db2.gz JBBWQEOANOKUGR-UKRRQHHQSA-N 2 0 352.479 -0.642 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)[C@@H]3CCCC[NH+]3C)C2)CC[N@@H+]1C ZINC001043773196 662239064 /nfs/dbraw/zinc/23/90/64/662239064.db2.gz MKYUDJHXAQZWJZ-KFWWJZLASA-N 2 0 352.479 -0.500 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)[C@H]3CCCC[NH+]3C)C2)CC[N@@H+]1C ZINC001043773197 662238865 /nfs/dbraw/zinc/23/88/65/662238865.db2.gz MKYUDJHXAQZWJZ-RBSFLKMASA-N 2 0 352.479 -0.500 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)C[C@@H]3CC[NH+](C)C3)C2)CC[N@@H+]1C ZINC001044011700 662249354 /nfs/dbraw/zinc/24/93/54/662249354.db2.gz UIPSVHFGBFNXLN-QLFBSQMISA-N 2 0 352.479 -0.642 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)C[C@H]3CC[NH+](C)C3)C2)CC[N@@H+]1C ZINC001044011701 662249323 /nfs/dbraw/zinc/24/93/23/662249323.db2.gz UIPSVHFGBFNXLN-RBSFLKMASA-N 2 0 352.479 -0.642 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)C34CC[NH+](CC3)C4)C2)CC[N@@H+]1C ZINC001044027865 662249780 /nfs/dbraw/zinc/24/97/80/662249780.db2.gz WLLPOXYRFIASMZ-ZIAGYGMSSA-N 2 0 350.463 -0.888 20 0 FBADRP CC[C@@H](C(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1)[NH+](C)C ZINC001044043916 662250165 /nfs/dbraw/zinc/25/01/65/662250165.db2.gz HIJVBNGEQUEUDB-ZNMIVQPWSA-N 2 0 354.495 -0.254 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)CCCC[NH+](C)C)C2)CC[N@@H+]1C ZINC001044251873 662256181 /nfs/dbraw/zinc/25/61/81/662256181.db2.gz TXSDRAZFPKAJHR-HUUCEWRRSA-N 2 0 354.495 -0.252 20 0 FBADRP CC(C)[C@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)[NH+](C)C ZINC001044291667 662257469 /nfs/dbraw/zinc/25/74/69/662257469.db2.gz XFBALVKKDWEHKI-RBSFLKMASA-N 2 0 354.495 -0.398 20 0 FBADRP CCC[N@H+](C)CCC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001044295008 662257700 /nfs/dbraw/zinc/25/77/00/662257700.db2.gz XYDPNPKVUGRDDD-HUUCEWRRSA-N 2 0 354.495 -0.252 20 0 FBADRP CCC[N@H+](C)CC(=O)NCC1(O)CN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001044302532 662258019 /nfs/dbraw/zinc/25/80/19/662258019.db2.gz LOZWRVIJIHZAFP-LSDHHAIUSA-N 2 0 354.495 -0.252 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2nc(=O)n(C)[nH]2)CC[N@@H+]1C ZINC001045044545 662268329 /nfs/dbraw/zinc/26/83/29/662268329.db2.gz MJQOHJHVKOPXJZ-MELADBBJSA-N 2 0 350.467 -0.081 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)C3(C[NH+](C)C)CC3)C2)CC[N@@H+]1C ZINC001045392353 662269897 /nfs/dbraw/zinc/26/98/97/662269897.db2.gz SYFMBHYTZLVZJJ-ZIAGYGMSSA-N 2 0 352.479 -0.642 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N2CC(O)(CNC(=O)CCC[NH+](C)C)C2)CC[N@@H+]1C ZINC001045417215 662269905 /nfs/dbraw/zinc/26/99/05/662269905.db2.gz FNLWPDCGJNMGIB-LSDHHAIUSA-N 2 0 354.495 -0.252 20 0 FBADRP 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CNC(=O)C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC001046033513 662277846 /nfs/dbraw/zinc/27/78/46/662277846.db2.gz XCECELPHDATJAD-OWCLPIDISA-N 2 0 351.495 -0.709 20 0 FBADRP C[C@@H]1[C@H](C(=O)N[C@]2(C)CC[NH+](CCN3C(=O)CNC3=O)C2)CC[N@@H+]1C ZINC001046329177 662284752 /nfs/dbraw/zinc/28/47/52/662284752.db2.gz LVPNRCIQKFYLEZ-PBFPGSCMSA-N 2 0 351.451 -0.541 20 0 FBADRP C[C@@H]1[C@H](C(=O)N[C@@]2(C)CC[NH+](CCN3C(=O)CNC3=O)C2)CC[N@@H+]1C ZINC001046329180 662284777 /nfs/dbraw/zinc/28/47/77/662284777.db2.gz LVPNRCIQKFYLEZ-XNJGSVPQSA-N 2 0 351.451 -0.541 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N2CC(O)(CNC(=O)CC[NH+](C)CC)C2)CC[N@@H+]1C ZINC001046531955 662289799 /nfs/dbraw/zinc/28/97/99/662289799.db2.gz XWCCASGCEHOCIA-LSDHHAIUSA-N 2 0 354.495 -0.252 20 0 FBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001046671651 662292607 /nfs/dbraw/zinc/29/26/07/662292607.db2.gz JUBLDQFEEOBEKC-RBSFLKMASA-N 2 0 352.479 -0.500 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)C[N@H+]3CCC[C@@H]3C)C2)CC[NH+]1C ZINC001046671652 662292710 /nfs/dbraw/zinc/29/27/10/662292710.db2.gz JUBLDQFEEOBEKC-RRFJBIMHSA-N 2 0 352.479 -0.500 20 0 FBADRP C[C@@H]1CC[N@H+](CC(=O)NCC2(O)CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001046684962 662293202 /nfs/dbraw/zinc/29/32/02/662293202.db2.gz NRGCSIQPNIAFGI-RBSFLKMASA-N 2 0 352.479 -0.642 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)C[N@H+]3CC[C@H](C)C3)C2)CC[NH+]1C ZINC001046684963 662293049 /nfs/dbraw/zinc/29/30/49/662293049.db2.gz NRGCSIQPNIAFGI-RRFJBIMHSA-N 2 0 352.479 -0.642 20 0 FBADRP CN(C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047383479 662310488 /nfs/dbraw/zinc/31/04/88/662310488.db2.gz CVPMNZCCNVESPE-QZWWFDLISA-N 2 0 355.479 -0.771 20 0 FBADRP CC[NH+](CC)CC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@@H]1O ZINC001048880493 662330142 /nfs/dbraw/zinc/33/01/42/662330142.db2.gz FCFVACLHOFODSE-WCVJEAGWSA-N 2 0 354.495 -0.302 20 0 FBADRP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2O)CC[N@@H+]1C ZINC001048919972 662331221 /nfs/dbraw/zinc/33/12/21/662331221.db2.gz DQQHXEPYSHJLAF-WCVJEAGWSA-N 2 0 354.495 -0.302 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2O)CC[N@@H+]1C ZINC001048922935 662331152 /nfs/dbraw/zinc/33/11/52/662331152.db2.gz DCXQFIOGEVZNSX-FZKCQIBNSA-N 2 0 354.495 -0.302 20 0 FBADRP CC(C)[N@H+](C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001048923186 662331238 /nfs/dbraw/zinc/33/12/38/662331238.db2.gz JMXULUVKCBUUFO-WCVJEAGWSA-N 2 0 354.495 -0.303 20 0 FBADRP CC[NH+](CC)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001048923194 662331117 /nfs/dbraw/zinc/33/11/17/662331117.db2.gz JVGZRUCSSPTTDU-WCVJEAGWSA-N 2 0 354.495 -0.302 20 0 FBADRP CCC[N@H+](C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001048923404 662331187 /nfs/dbraw/zinc/33/11/87/662331187.db2.gz PNAOLETUPSJYLR-WCVJEAGWSA-N 2 0 354.495 -0.302 20 0 FBADRP CC[N@H+](C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001048923551 662331317 /nfs/dbraw/zinc/33/13/17/662331317.db2.gz SYNVAGKYZWGQDG-WCVJEAGWSA-N 2 0 354.495 -0.302 20 0 FBADRP CC(C)[N@H+](C)CC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C[C@@H]1O ZINC001048977325 662339983 /nfs/dbraw/zinc/33/99/83/662339983.db2.gz RAWQMLDSIYRVOC-WCVJEAGWSA-N 2 0 354.495 -0.303 20 0 FBADRP CC[C@H](C(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@@H]1O)[NH+](C)C ZINC001049027231 662342021 /nfs/dbraw/zinc/34/20/21/662342021.db2.gz HKYOWNYVMZZUBI-SUJAAXHWSA-N 2 0 354.495 -0.303 20 0 FBADRP CCC[N@H+](C)CC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C[C@@H]1O ZINC001049149243 662345139 /nfs/dbraw/zinc/34/51/39/662345139.db2.gz DGXQAGZNFPCVLF-WCVJEAGWSA-N 2 0 354.495 -0.302 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)CCC[NH+](C)C)C2)CC[N@@H+]1C ZINC001049348872 662347640 /nfs/dbraw/zinc/34/76/40/662347640.db2.gz CNIDTJBQOPTCPK-WCVJEAGWSA-N 2 0 354.495 -0.302 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)CC[NH+](C)C)C2)CC[N@@H+]1C ZINC001049435920 662349411 /nfs/dbraw/zinc/34/94/11/662349411.db2.gz WTCKYMAHNGQROI-FZKCQIBNSA-N 2 0 354.495 -0.302 20 0 FBADRP CC[N@H+](C)CCC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C[C@@H]1O ZINC001049543283 662352117 /nfs/dbraw/zinc/35/21/17/662352117.db2.gz WVSYJARARUVTPZ-WCVJEAGWSA-N 2 0 354.495 -0.302 20 0 FBADRP CC[C@@H](C(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@@H]1O)[NH+](C)C ZINC001049577833 662353421 /nfs/dbraw/zinc/35/34/21/662353421.db2.gz HKYOWNYVMZZUBI-OWYFMNJBSA-N 2 0 354.495 -0.303 20 0 FBADRP CCn1nncc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCO1 ZINC001051624247 662416119 /nfs/dbraw/zinc/41/61/19/662416119.db2.gz OGCJMJZCVNISLS-FVQBIDKESA-N 2 0 350.467 -0.045 20 0 FBADRP CCn1nncc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCO1 ZINC001051624248 662416042 /nfs/dbraw/zinc/41/60/42/662416042.db2.gz OGCJMJZCVNISLS-VNQPRFMTSA-N 2 0 350.467 -0.045 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3cnnn3C)C2)CC[N@@H+]1C ZINC001051625008 662416442 /nfs/dbraw/zinc/41/64/42/662416442.db2.gz WXOCDDSQBIETSI-HRCADAONSA-N 2 0 350.467 -0.138 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](C[NH2+]Cc3cnnn3C)C2)CC[N@@H+]1C ZINC001051625012 662416546 /nfs/dbraw/zinc/41/65/46/662416546.db2.gz WXOCDDSQBIETSI-OWCLPIDISA-N 2 0 350.467 -0.138 20 0 FBADRP C[NH+](C)CCC(=O)NC1CC[NH+](CCNC(=O)[C@]23C[C@H]2COC3)CC1 ZINC001055586739 662378149 /nfs/dbraw/zinc/37/81/49/662378149.db2.gz AYLBLDMRNNZPJB-KSSFIOAISA-N 2 0 352.479 -0.329 20 0 FBADRP C[NH+](C)CCC(=O)NCC[NH+]1CCC(NC(=O)[C@]23C[C@H]2COC3)CC1 ZINC001055633195 662378704 /nfs/dbraw/zinc/37/87/04/662378704.db2.gz FESOBRMLGPXRNA-KSSFIOAISA-N 2 0 352.479 -0.329 20 0 FBADRP C[C@@H]1[C@H](C(=O)N[C@]2(CO)CCCN(C(=O)CC[NH+](C)C)C2)CC[N@@H+]1C ZINC001055968468 662382590 /nfs/dbraw/zinc/38/25/90/662382590.db2.gz XZWBERJGKJKPEG-IIDMSEBBSA-N 2 0 354.495 -0.252 20 0 FBADRP C[C@@H]1[C@H](C(=O)N[C@@]2(CO)CCCN(C(=O)CC[NH+](C)C)C2)CC[N@@H+]1C ZINC001055968469 662382713 /nfs/dbraw/zinc/38/27/13/662382713.db2.gz XZWBERJGKJKPEG-RKVPGOIHSA-N 2 0 354.495 -0.252 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@](CO)(NC(=O)CC[NH+](C)C)C2)CC[N@@H+]1C ZINC001056104680 662384743 /nfs/dbraw/zinc/38/47/43/662384743.db2.gz FVNQVHYXHKNOLR-IIDMSEBBSA-N 2 0 354.495 -0.252 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CCC[C@](CO)(NC(=O)CC[NH+](C)C)C2)CC[N@@H+]1C ZINC001056104683 662384760 /nfs/dbraw/zinc/38/47/60/662384760.db2.gz FVNQVHYXHKNOLR-RKVPGOIHSA-N 2 0 354.495 -0.252 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)[C@H]2CCC[NH+]2C)CC[N@@H+]1C ZINC001057214234 662401641 /nfs/dbraw/zinc/40/16/41/662401641.db2.gz WIRYGYJRGSYTQI-ARFHVFGLSA-N 2 0 354.495 -0.252 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)[C@@H]2CCC[NH+]2C)CC[N@@H+]1C ZINC001057214235 662401559 /nfs/dbraw/zinc/40/15/59/662401559.db2.gz WIRYGYJRGSYTQI-XHSDSOJGSA-N 2 0 354.495 -0.252 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)[C@H]2CC[NH+](C)C2)CC[N@@H+]1C ZINC001057635482 662410363 /nfs/dbraw/zinc/41/03/63/662410363.db2.gz DJHUVFXLWYUEPT-HRCADAONSA-N 2 0 354.495 -0.395 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)[C@@H]2CC[NH+](C)C2)CC[N@@H+]1C ZINC001057635483 662410331 /nfs/dbraw/zinc/41/03/31/662410331.db2.gz DJHUVFXLWYUEPT-OWCLPIDISA-N 2 0 354.495 -0.395 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)C[NH+]2CCCC2)CC[N@@H+]1C ZINC001057641755 662410296 /nfs/dbraw/zinc/41/02/96/662410296.db2.gz DDNJYGZIFZHKOW-JKSUJKDBSA-N 2 0 354.495 -0.250 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)C[NH+](CC)CC)CC[N@@H+]1C ZINC001057660696 662410772 /nfs/dbraw/zinc/41/07/72/662410772.db2.gz BZAIQVLGDDWMDX-JKSUJKDBSA-N 2 0 356.511 -0.004 20 0 FBADRP C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)CCCC[NH+](C)C)CC[N@@H+]1C ZINC001057739019 662422636 /nfs/dbraw/zinc/42/26/36/662422636.db2.gz JFIKFZGYPJSAGT-HZPDHXFCSA-N 2 0 356.511 -0.004 20 0 FBADRP C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1C ZINC001057739027 662422423 /nfs/dbraw/zinc/42/24/23/662422423.db2.gz JNMIQKVSWCQSAE-HUUCEWRRSA-N 2 0 354.495 -0.252 20 0 FBADRP C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)C[NH+](C)C2CCC2)CC[N@@H+]1C ZINC001057739067 662422500 /nfs/dbraw/zinc/42/25/00/662422500.db2.gz KKHFAJLMAWRWEG-GDBMZVCRSA-N 2 0 354.495 -0.252 20 0 FBADRP C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)C[N@H+]2CCC[C@@H]2C)CC[NH+]1C ZINC001057739195 662422388 /nfs/dbraw/zinc/42/23/88/662422388.db2.gz PTMQPYMHVMBBNF-ARFHVFGLSA-N 2 0 354.495 -0.252 20 0 FBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCCN(CCO)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001057739196 662422353 /nfs/dbraw/zinc/42/23/53/662422353.db2.gz PTMQPYMHVMBBNF-BZUAXINKSA-N 2 0 354.495 -0.252 20 0 FBADRP CC(C)[C@H](C(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)C ZINC001057739209 662422591 /nfs/dbraw/zinc/42/25/91/662422591.db2.gz QHJRVRBHHZOCKR-BZUAXINKSA-N 2 0 356.511 -0.150 20 0 FBADRP CC(C)[C@@H](C(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)C ZINC001057739210 662422753 /nfs/dbraw/zinc/42/27/53/662422753.db2.gz QHJRVRBHHZOCKR-OAGGEKHMSA-N 2 0 356.511 -0.150 20 0 FBADRP CCC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001057739217 662422849 /nfs/dbraw/zinc/42/28/49/662422849.db2.gz QNHAXVBWTBGNRR-HZPDHXFCSA-N 2 0 356.511 -0.004 20 0 FBADRP C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1C ZINC001057739313 662423001 /nfs/dbraw/zinc/42/30/01/662423001.db2.gz UWXJJNSJACEOPU-HUUCEWRRSA-N 2 0 354.495 -0.395 20 0 FBADRP C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1C ZINC001057739349 662423099 /nfs/dbraw/zinc/42/30/99/662423099.db2.gz WJKOYXZKAKWCFT-GDBMZVCRSA-N 2 0 354.495 -0.395 20 0 FBADRP C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)[C@H]2CCCC[NH+]2C)CC[N@@H+]1C ZINC001057739824 662423018 /nfs/dbraw/zinc/42/30/18/662423018.db2.gz REEUZCYWDLYABG-BZUAXINKSA-N 2 0 354.495 -0.252 20 0 FBADRP C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)[C@@H]2CCCC[NH+]2C)CC[N@@H+]1C ZINC001057739825 662422897 /nfs/dbraw/zinc/42/28/97/662422897.db2.gz REEUZCYWDLYABG-OAGGEKHMSA-N 2 0 354.495 -0.252 20 0 FBADRP C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)C[C@H]2CC[NH+](C)C2)CC[N@@H+]1C ZINC001057741191 662423895 /nfs/dbraw/zinc/42/38/95/662423895.db2.gz MSKMISDNOZCSPV-BZUAXINKSA-N 2 0 354.495 -0.395 20 0 FBADRP C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)C[C@@H]2CC[NH+](C)C2)CC[N@@H+]1C ZINC001057741192 662423997 /nfs/dbraw/zinc/42/39/97/662423997.db2.gz MSKMISDNOZCSPV-OWCLPIDISA-N 2 0 354.495 -0.395 20 0 FBADRP C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1C ZINC001057741377 662423656 /nfs/dbraw/zinc/42/36/56/662423656.db2.gz RBLUYFDKMBHLMW-HUUCEWRRSA-N 2 0 352.479 -0.641 20 0 FBADRP C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC[NH+]1C ZINC001057741521 662423877 /nfs/dbraw/zinc/42/38/77/662423877.db2.gz SNYNOPYSALHTSR-KLHDSHLOSA-N 2 0 354.495 -0.396 20 0 FBADRP CC[N@H+](C)C(C)(C)C(=O)NCCN(CCO)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001057741542 662423912 /nfs/dbraw/zinc/42/39/12/662423912.db2.gz SYSUPWWZTGMQQV-HUUCEWRRSA-N 2 0 356.511 -0.006 20 0 FBADRP C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)[C@H](C2CC2)[NH+](C)C)CC[N@@H+]1C ZINC001057741591 662423806 /nfs/dbraw/zinc/42/38/06/662423806.db2.gz VJEATMFGMVORQQ-BMFZPTHFSA-N 2 0 354.495 -0.396 20 0 FBADRP C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)[C@@H](C2CC2)[NH+](C)C)CC[N@@H+]1C ZINC001057741592 662423692 /nfs/dbraw/zinc/42/36/92/662423692.db2.gz VJEATMFGMVORQQ-FVQBIDKESA-N 2 0 354.495 -0.396 20 0 FBADRP C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)C[N@H+]2CC[C@H](C)C2)CC[NH+]1C ZINC001057741774 662423935 /nfs/dbraw/zinc/42/39/35/662423935.db2.gz YYCZCQHIQYZYBJ-ARFHVFGLSA-N 2 0 354.495 -0.395 20 0 FBADRP C[C@@H]1CC[N@H+](CC(=O)NCCN(CCO)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001057741775 662423662 /nfs/dbraw/zinc/42/36/62/662423662.db2.gz YYCZCQHIQYZYBJ-BZUAXINKSA-N 2 0 354.495 -0.395 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC(=O)[C@H]2CCC[NH+]2C)CC[N@@H+]1C ZINC001057743711 662423713 /nfs/dbraw/zinc/42/37/13/662423713.db2.gz LOQJTQHDJFTUTQ-ARFHVFGLSA-N 2 0 354.495 -0.252 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H]2CCC[NH+]2C)CC[N@@H+]1C ZINC001057743712 662423842 /nfs/dbraw/zinc/42/38/42/662423842.db2.gz LOQJTQHDJFTUTQ-XHSDSOJGSA-N 2 0 354.495 -0.252 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC(=O)C[NH+](CC)CC)CC[N@@H+]1C ZINC001057745802 662424295 /nfs/dbraw/zinc/42/42/95/662424295.db2.gz BGDFRWHBPSNSCC-JKSUJKDBSA-N 2 0 356.511 -0.004 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC(=O)CCC[NH+](C)C)CC[N@@H+]1C ZINC001057745819 662424229 /nfs/dbraw/zinc/42/42/29/662424229.db2.gz BVVOXVDUFAWWGE-JKSUJKDBSA-N 2 0 356.511 -0.004 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC(=O)C[NH+]2CCCC2)CC[N@@H+]1C ZINC001057745858 662424134 /nfs/dbraw/zinc/42/41/34/662424134.db2.gz DKLWWNFWULDHAW-JKSUJKDBSA-N 2 0 354.495 -0.250 20 0 FBADRP CC[C@H](C(=O)NCCN(CCO)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)[NH+](C)C ZINC001057745892 662424345 /nfs/dbraw/zinc/42/43/45/662424345.db2.gz GIWJUQHEXCFHNI-ARFHVFGLSA-N 2 0 356.511 -0.006 20 0 FBADRP CC[C@@H](C(=O)NCCN(CCO)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)[NH+](C)C ZINC001057745893 662424244 /nfs/dbraw/zinc/42/42/44/662424244.db2.gz GIWJUQHEXCFHNI-XHSDSOJGSA-N 2 0 356.511 -0.006 20 0 FBADRP CCC[N@H+](C)CC(=O)NCCN(CCO)C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001057745985 662424324 /nfs/dbraw/zinc/42/43/24/662424324.db2.gz JOUAXUJETMGIDZ-JKSUJKDBSA-N 2 0 356.511 -0.004 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC(=O)CC[NH+](C)CC)CC[N@@H+]1C ZINC001057746253 662424318 /nfs/dbraw/zinc/42/43/18/662424318.db2.gz QMSSHSILRMKKFN-JKSUJKDBSA-N 2 0 356.511 -0.004 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC(=O)[C@H]2CC[NH+](C)C2)CC[N@@H+]1C ZINC001057746364 662424211 /nfs/dbraw/zinc/42/42/11/662424211.db2.gz UDAMDSUASYFTTC-HRCADAONSA-N 2 0 354.495 -0.395 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H]2CC[NH+](C)C2)CC[N@@H+]1C ZINC001057746366 662424304 /nfs/dbraw/zinc/42/43/04/662424304.db2.gz UDAMDSUASYFTTC-OWCLPIDISA-N 2 0 354.495 -0.395 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC(=O)C[NH+](C)C(C)C)CC[N@@H+]1C ZINC001057747419 662424607 /nfs/dbraw/zinc/42/46/07/662424607.db2.gz ZQYXCHKRSAFQPO-JKSUJKDBSA-N 2 0 356.511 -0.006 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)C[NH+](C)C(C)C)CC[N@@H+]1C ZINC001057864236 662428256 /nfs/dbraw/zinc/42/82/56/662428256.db2.gz ICPKUYWQMANROM-JKSUJKDBSA-N 2 0 356.511 -0.006 20 0 FBADRP C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1C ZINC001057875325 662428357 /nfs/dbraw/zinc/42/83/57/662428357.db2.gz QXKQUZLSTXPVKT-HUUCEWRRSA-N 2 0 354.495 -0.252 20 0 FBADRP C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)[C@H](C2CC2)[NH+](C)C)CC[N@@H+]1C ZINC001057876182 662428590 /nfs/dbraw/zinc/42/85/90/662428590.db2.gz DJVCQVHBHPLWPV-BMFZPTHFSA-N 2 0 354.495 -0.396 20 0 FBADRP C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)[C@@H](C2CC2)[NH+](C)C)CC[N@@H+]1C ZINC001057876183 662428486 /nfs/dbraw/zinc/42/84/86/662428486.db2.gz DJVCQVHBHPLWPV-FVQBIDKESA-N 2 0 354.495 -0.396 20 0 FBADRP CC(C)[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)C ZINC001057883284 662428825 /nfs/dbraw/zinc/42/88/25/662428825.db2.gz DUVJKRAUHUEOFQ-OAGGEKHMSA-N 2 0 356.511 -0.150 20 0 FBADRP C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)C[NH+](C)C2CCC2)CC[N@@H+]1C ZINC001057903446 662429376 /nfs/dbraw/zinc/42/93/76/662429376.db2.gz KBVKDAFLAKHEND-GDBMZVCRSA-N 2 0 354.495 -0.252 20 0 FBADRP CC[N@H+](C)C(C)(C)C(=O)N(CCO)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001057942686 662430035 /nfs/dbraw/zinc/43/00/35/662430035.db2.gz QCVUVYUBEGYLGD-HUUCEWRRSA-N 2 0 356.511 -0.006 20 0 FBADRP CC[C@H](C(=O)N(CCO)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)[NH+](C)C ZINC001057975432 662434697 /nfs/dbraw/zinc/43/46/97/662434697.db2.gz RWCBRRVXFCVWQO-ARFHVFGLSA-N 2 0 356.511 -0.006 20 0 FBADRP C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)C2CC[NH+](C)CC2)CC[N@@H+]1C ZINC001057994482 662434840 /nfs/dbraw/zinc/43/48/40/662434840.db2.gz ZIUWBLWFRATNSL-GDBMZVCRSA-N 2 0 354.495 -0.395 20 0 FBADRP C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)[C@H]2CCCC[NH+]2C)CC[N@@H+]1C ZINC001058039260 662435797 /nfs/dbraw/zinc/43/57/97/662435797.db2.gz USZFHLJYSHTJTK-BZUAXINKSA-N 2 0 354.495 -0.252 20 0 FBADRP C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)[C@@H]2CCCC[NH+]2C)CC[N@@H+]1C ZINC001058039261 662435717 /nfs/dbraw/zinc/43/57/17/662435717.db2.gz USZFHLJYSHTJTK-OAGGEKHMSA-N 2 0 354.495 -0.252 20 0 FBADRP C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)C[C@H]2CC[NH+](C)C2)CC[N@@H+]1C ZINC001058159675 662437490 /nfs/dbraw/zinc/43/74/90/662437490.db2.gz SOBILMGHURADEB-BZUAXINKSA-N 2 0 354.495 -0.395 20 0 FBADRP C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)C[C@@H]2CC[NH+](C)C2)CC[N@@H+]1C ZINC001058159676 662437519 /nfs/dbraw/zinc/43/75/19/662437519.db2.gz SOBILMGHURADEB-OWCLPIDISA-N 2 0 354.495 -0.395 20 0 FBADRP C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1C ZINC001058163698 662437545 /nfs/dbraw/zinc/43/75/45/662437545.db2.gz UQEAYJKLPZGGRD-HUUCEWRRSA-N 2 0 352.479 -0.641 20 0 FBADRP CC[C@@H](C(=O)N(CCO)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)[NH+](C)C ZINC001058169974 662437866 /nfs/dbraw/zinc/43/78/66/662437866.db2.gz RWCBRRVXFCVWQO-XHSDSOJGSA-N 2 0 356.511 -0.006 20 0 FBADRP C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)CCCC[NH+](C)C)CC[N@@H+]1C ZINC001058237244 662439510 /nfs/dbraw/zinc/43/95/10/662439510.db2.gz VWSZCMXUGXFVTE-HZPDHXFCSA-N 2 0 356.511 -0.004 20 0 FBADRP CC(C)[C@H](C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)C ZINC001058250697 660457138 /nfs/dbraw/zinc/45/71/38/660457138.db2.gz DUVJKRAUHUEOFQ-BZUAXINKSA-N 2 0 356.511 -0.150 20 0 FBADRP CCC[N@H+](C)CCC(=O)N(CCO)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001058252755 662439880 /nfs/dbraw/zinc/43/98/80/662439880.db2.gz WAOUWVTXVXQRAT-HZPDHXFCSA-N 2 0 356.511 -0.004 20 0 FBADRP CCC[N@H+](C)CC(=O)N(CCO)CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001058255181 662439916 /nfs/dbraw/zinc/43/99/16/662439916.db2.gz GGXIECCKVDFGET-JKSUJKDBSA-N 2 0 356.511 -0.004 20 0 FBADRP C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1C ZINC001058601486 679520683 /nfs/dbraw/zinc/52/06/83/679520683.db2.gz DUCIGRISWURYSY-HUUCEWRRSA-N 2 0 354.495 -0.395 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)CCC[NH+](C)C)CC[N@@H+]1C ZINC001058607740 679521436 /nfs/dbraw/zinc/52/14/36/679521436.db2.gz MHTCBQFGNJHSCF-JKSUJKDBSA-N 2 0 356.511 -0.004 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)CC[NH+](C)CC)CC[N@@H+]1C ZINC001058817860 679531681 /nfs/dbraw/zinc/53/16/81/679531681.db2.gz VCRBGIFPAOAAHC-JKSUJKDBSA-N 2 0 356.511 -0.004 20 0 FBADRP C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)C[N@H+]2CCC[C@@H]2C)CC[NH+]1C ZINC001058845033 679533839 /nfs/dbraw/zinc/53/38/39/679533839.db2.gz CQYZPUHVPYGSCW-ARFHVFGLSA-N 2 0 354.495 -0.252 20 0 FBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N(CCO)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001058845034 679533676 /nfs/dbraw/zinc/53/36/76/679533676.db2.gz CQYZPUHVPYGSCW-BZUAXINKSA-N 2 0 354.495 -0.252 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CCOC[C@H]2CNC(=O)C[NH+]2CCCC2)CC[N@@H+]1C ZINC001061599349 837679703 /nfs/dbraw/zinc/67/97/03/837679703.db2.gz AMSGWHBPCOGAPN-BZUAXINKSA-N 2 0 352.479 -0.234 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CCOC[C@@H]2CNC(=O)C[NH+]2CCCC2)CC[N@@H+]1C ZINC001061599350 837679748 /nfs/dbraw/zinc/67/97/48/837679748.db2.gz AMSGWHBPCOGAPN-OWCLPIDISA-N 2 0 352.479 -0.234 20 0 FBADRP C[C@@H]1CN(C)C[C@H](C(=O)NC2(CNC(=O)[C@@H]3CCC[N@@H+]3C)CCC2)O1 ZINC001062715235 837796479 /nfs/dbraw/zinc/79/64/79/837796479.db2.gz QCESHOROIMFSNZ-QLFBSQMISA-N 2 0 352.479 -0.045 20 0 FBADRP C[C@@H]1CN(C)C[C@H](C(=O)NC2(CNC(=O)[C@H]3CCC[N@@H+]3C)CCC2)O1 ZINC001062715236 837796698 /nfs/dbraw/zinc/79/66/98/837796698.db2.gz QCESHOROIMFSNZ-RBSFLKMASA-N 2 0 352.479 -0.045 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CCO[C@H](CNC(=O)C[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC001065205477 839031185 /nfs/dbraw/zinc/03/11/85/839031185.db2.gz DHWKKZJLEZPXGQ-BZUAXINKSA-N 2 0 352.479 -0.234 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CCO[C@@H](CNC(=O)C[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC001065205478 839031513 /nfs/dbraw/zinc/03/15/13/839031513.db2.gz DHWKKZJLEZPXGQ-OWCLPIDISA-N 2 0 352.479 -0.234 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CCOC3(CN(C(=O)CC[NH+](C)C)C3)C2)CC[N@@H+]1C ZINC001068401273 842174366 /nfs/dbraw/zinc/17/43/66/842174366.db2.gz BKOBMMRDNTZCPX-HUUCEWRRSA-N 2 0 352.479 -0.282 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CC3(C2)CN(C(=O)CC[NH+](C)C)CCO3)CC[N@@H+]1C ZINC001068454243 842177087 /nfs/dbraw/zinc/17/70/87/842177087.db2.gz LGIMVVGXSLCKLZ-HUUCEWRRSA-N 2 0 352.479 -0.282 20 0 FBADRP C[C@@H]1[C@H](C(=O)N[C@@H]2COC3(CN(C(=O)CC[NH+](C)C)C3)C2)CC[N@@H+]1C ZINC001068885035 842185816 /nfs/dbraw/zinc/18/58/16/842185816.db2.gz LTVQDDSSWLCJEZ-QLFBSQMISA-N 2 0 352.479 -0.236 20 0 FBADRP C[C@@H]1[C@H](C(=O)N[C@H]2COC3(CN(C(=O)CC[NH+](C)C)C3)C2)CC[N@@H+]1C ZINC001068885036 842185777 /nfs/dbraw/zinc/18/57/77/842185777.db2.gz LTVQDDSSWLCJEZ-RBSFLKMASA-N 2 0 352.479 -0.236 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CC3(C2)C[C@H](NC(=O)CC[NH+](C)C)CO3)CC[N@@H+]1C ZINC001069015929 842187781 /nfs/dbraw/zinc/18/77/81/842187781.db2.gz ZJRUAYWZJHKZJC-QLFBSQMISA-N 2 0 352.479 -0.236 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CC3(C2)C[C@@H](NC(=O)CC[NH+](C)C)CO3)CC[N@@H+]1C ZINC001069015930 842188001 /nfs/dbraw/zinc/18/80/01/842188001.db2.gz ZJRUAYWZJHKZJC-RBSFLKMASA-N 2 0 352.479 -0.236 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCCO)C[C@@H]2n2ccnn2)CC[N@@H+]1C ZINC001069932200 842207361 /nfs/dbraw/zinc/20/73/61/842207361.db2.gz UXHQANQTALWWTM-JJXSEGSLSA-N 2 0 350.467 -0.268 20 0 FBADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](CCCO)C[C@@H]2n2ccnn2)CC[N@@H+]1C ZINC001070008115 842224077 /nfs/dbraw/zinc/22/40/77/842224077.db2.gz RJGZRFLGYWSEJI-JONQDZQNSA-N 2 0 350.467 -0.268 20 0 FBADRP CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001070015277 842224534 /nfs/dbraw/zinc/22/45/34/842224534.db2.gz OSAKKXJUFNHACX-BMFZPTHFSA-N 2 0 350.467 -0.004 20 0 FBADRP CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001070015278 842225515 /nfs/dbraw/zinc/22/55/15/842225515.db2.gz OSAKKXJUFNHACX-IMJJTQAJSA-N 2 0 350.467 -0.004 20 0 FBADRP COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001070015367 842225091 /nfs/dbraw/zinc/22/50/91/842225091.db2.gz VFLQBQUWJVSSPY-BMFZPTHFSA-N 2 0 350.467 -0.004 20 0 FBADRP COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001070015368 842225172 /nfs/dbraw/zinc/22/51/72/842225172.db2.gz VFLQBQUWJVSSPY-IMJJTQAJSA-N 2 0 350.467 -0.004 20 0 FBADRP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@H+](CCCO)C[C@@H]2n2ccnn2)CC1 ZINC001070046529 842230590 /nfs/dbraw/zinc/23/05/90/842230590.db2.gz BNYKJXCBPXSDLW-CVEARBPZSA-N 2 0 350.467 -0.266 20 0 FBADRP C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001070046791 842231363 /nfs/dbraw/zinc/23/13/63/842231363.db2.gz OTEQUMBTYFVJAJ-BMFZPTHFSA-N 2 0 350.467 -0.268 20 0 FBADRP C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001070046792 842230289 /nfs/dbraw/zinc/23/02/89/842230289.db2.gz OTEQUMBTYFVJAJ-IMJJTQAJSA-N 2 0 350.467 -0.268 20 0 FBADRP CC(C)(C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1)[NH+]1CCCCC1 ZINC001070194917 842261023 /nfs/dbraw/zinc/26/10/23/842261023.db2.gz UVIJBURGHDKBMV-CABCVRRESA-N 2 0 350.467 -0.124 20 0 FBADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)C1 ZINC001070207800 842263803 /nfs/dbraw/zinc/26/38/03/842263803.db2.gz OZUAQKPDNULNKM-OAGGEKHMSA-N 2 0 350.467 -0.410 20 0 FBADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)C1 ZINC001070207801 842263644 /nfs/dbraw/zinc/26/36/44/842263644.db2.gz OZUAQKPDNULNKM-XHSDSOJGSA-N 2 0 350.467 -0.410 20 0 FBADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070209123 842263956 /nfs/dbraw/zinc/26/39/56/842263956.db2.gz NDHRGXLBBBLMNH-OAGGEKHMSA-N 2 0 350.467 -0.125 20 0 FBADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070209124 842263849 /nfs/dbraw/zinc/26/38/49/842263849.db2.gz NDHRGXLBBBLMNH-XHSDSOJGSA-N 2 0 350.467 -0.125 20 0 FBADRP CC[NH2+][C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@@H]1n1ccnn1 ZINC001070218228 842264778 /nfs/dbraw/zinc/26/47/78/842264778.db2.gz BCPIHMFSKBQFMQ-CABCVRRESA-N 2 0 350.467 -0.002 20 0 FBADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070224074 842266780 /nfs/dbraw/zinc/26/67/80/842266780.db2.gz LRARKJATQGZQTD-OAGGEKHMSA-N 2 0 350.467 -0.268 20 0 FBADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070224075 842266444 /nfs/dbraw/zinc/26/64/44/842266444.db2.gz LRARKJATQGZQTD-PMPSAXMXSA-N 2 0 350.467 -0.268 20 0 FBADRP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001070248045 842270044 /nfs/dbraw/zinc/27/00/44/842270044.db2.gz LRGWXOXZCUWXQN-KFWWJZLASA-N 2 0 350.467 -0.125 20 0 FBADRP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001070248046 842269777 /nfs/dbraw/zinc/26/97/77/842269777.db2.gz LRGWXOXZCUWXQN-ZNMIVQPWSA-N 2 0 350.467 -0.125 20 0 FBADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)C1 ZINC001070258264 842274392 /nfs/dbraw/zinc/27/43/92/842274392.db2.gz MXZCODMLBLXQGK-OAGGEKHMSA-N 2 0 350.467 -0.266 20 0 FBADRP CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)C1 ZINC001070258265 842274173 /nfs/dbraw/zinc/27/41/73/842274173.db2.gz MXZCODMLBLXQGK-XHSDSOJGSA-N 2 0 350.467 -0.266 20 0 FBADRP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1n1ccnn1 ZINC001070275266 842278056 /nfs/dbraw/zinc/27/80/56/842278056.db2.gz DCZCDOSFJBDAAJ-KFWWJZLASA-N 2 0 350.467 -0.268 20 0 FBADRP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1n1ccnn1 ZINC001070275267 842277954 /nfs/dbraw/zinc/27/79/54/842277954.db2.gz DCZCDOSFJBDAAJ-ZNMIVQPWSA-N 2 0 350.467 -0.268 20 0 FBADRP C[C@H](C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1)[NH+]1CCCCCC1 ZINC001070288201 842279397 /nfs/dbraw/zinc/27/93/97/842279397.db2.gz FNPALMMPWTXLKE-OAGGEKHMSA-N 2 0 350.467 -0.124 20 0 FBADRP C[C@@H](C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1)[NH+]1CCCCCC1 ZINC001070288202 842280371 /nfs/dbraw/zinc/28/03/71/842280371.db2.gz FNPALMMPWTXLKE-XHSDSOJGSA-N 2 0 350.467 -0.124 20 0 FBADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070289708 842280721 /nfs/dbraw/zinc/28/07/21/842280721.db2.gz RHSDSXVRDJOECY-OAGGEKHMSA-N 2 0 350.467 -0.125 20 0 FBADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070289709 842280688 /nfs/dbraw/zinc/28/06/88/842280688.db2.gz RHSDSXVRDJOECY-PMPSAXMXSA-N 2 0 350.467 -0.125 20 0 FBADRP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1n1ccnn1 ZINC001070289766 842280506 /nfs/dbraw/zinc/28/05/06/842280506.db2.gz UTSUMWVRGIIZND-BMFZPTHFSA-N 2 0 350.467 -0.268 20 0 FBADRP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1n1ccnn1 ZINC001070289767 842280334 /nfs/dbraw/zinc/28/03/34/842280334.db2.gz UTSUMWVRGIIZND-IMJJTQAJSA-N 2 0 350.467 -0.268 20 0 FBADRP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1n1ccnn1 ZINC001070301266 842282054 /nfs/dbraw/zinc/28/20/54/842282054.db2.gz UEPOUZYZOHSCOX-OAGGEKHMSA-N 2 0 350.467 -0.268 20 0 FBADRP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1n1ccnn1 ZINC001070301267 842281476 /nfs/dbraw/zinc/28/14/76/842281476.db2.gz UEPOUZYZOHSCOX-XHSDSOJGSA-N 2 0 350.467 -0.268 20 0 FBADRP C[NH+]1CCC(OCC(=O)N2C[C@@H]([NH2+]CCF)[C@@H](n3ccnn3)C2)CC1 ZINC001070304350 842282872 /nfs/dbraw/zinc/28/28/72/842282872.db2.gz XTFGBYJVHDGVPH-CABCVRRESA-N 2 0 354.430 -0.300 20 0 FBADRP CC(C)[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)CC1 ZINC001070305278 842283207 /nfs/dbraw/zinc/28/32/07/842283207.db2.gz OBESSFKKKITEBD-CVEARBPZSA-N 2 0 350.467 -0.268 20 0 FBADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](NCc3cnns3)[C@@H](n3ccnn3)C2)C1 ZINC001070327254 842286020 /nfs/dbraw/zinc/28/60/20/842286020.db2.gz ZOARJLJMDTVUCJ-BNOWGMLFSA-N 2 0 362.463 -0.377 20 0 FBADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](NCc3cnns3)[C@@H](n3ccnn3)C2)C1 ZINC001070327255 842286084 /nfs/dbraw/zinc/28/60/84/842286084.db2.gz ZOARJLJMDTVUCJ-YUTCNCBUSA-N 2 0 362.463 -0.377 20 0 FBADRP CC(C)[NH2+][C@@H]1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)C[C@@H]1n1ccnn1 ZINC001070328114 842285241 /nfs/dbraw/zinc/28/52/41/842285241.db2.gz OWJYVNSHLAKCSD-OAGGEKHMSA-N 2 0 350.467 -0.004 20 0 FBADRP CC(C)[NH2+][C@@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C[C@@H]1n1ccnn1 ZINC001070328115 842285936 /nfs/dbraw/zinc/28/59/36/842285936.db2.gz OWJYVNSHLAKCSD-XHSDSOJGSA-N 2 0 350.467 -0.004 20 0 FBADRP CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)C[C@@H]1n1ccnn1 ZINC001070328310 842285550 /nfs/dbraw/zinc/28/55/50/842285550.db2.gz WDHPEBOMNXIVTF-OAGGEKHMSA-N 2 0 350.467 -0.002 20 0 FBADRP CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C[C@@H]1n1ccnn1 ZINC001070328311 842285999 /nfs/dbraw/zinc/28/59/99/842285999.db2.gz WDHPEBOMNXIVTF-XHSDSOJGSA-N 2 0 350.467 -0.002 20 0 FBADRP O=C(C[NH+]1CCCC1)N1C[C@@H](NCc2cnns2)[C@@H](n2ccnn2)C1 ZINC001070328323 842285395 /nfs/dbraw/zinc/28/53/95/842285395.db2.gz XBDYBEUNBMSNGJ-KGLIPLIRSA-N 2 0 362.463 -0.233 20 0 FBADRP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1n1ccnn1 ZINC001070333590 842286775 /nfs/dbraw/zinc/28/67/75/842286775.db2.gz HZTRMYIVUGZIPJ-OAGGEKHMSA-N 2 0 350.467 -0.124 20 0 FBADRP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1n1ccnn1 ZINC001070333591 842286981 /nfs/dbraw/zinc/28/69/81/842286981.db2.gz HZTRMYIVUGZIPJ-XHSDSOJGSA-N 2 0 350.467 -0.124 20 0 FBADRP CC(C)[C@H](C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1)[NH+]1CCCC1 ZINC001070333784 842287240 /nfs/dbraw/zinc/28/72/40/842287240.db2.gz VIGXEUMJNQRWSI-OWCLPIDISA-N 2 0 350.467 -0.268 20 0 FBADRP CC(C)[C@@H](C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1)[NH+]1CCCC1 ZINC001070333785 842286667 /nfs/dbraw/zinc/28/66/67/842286667.db2.gz VIGXEUMJNQRWSI-PMPSAXMXSA-N 2 0 350.467 -0.268 20 0 FBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCO)CC1 ZINC001070367089 842289819 /nfs/dbraw/zinc/28/98/19/842289819.db2.gz DKOXKNPPCLSVEA-INMHGKMJSA-N 2 0 352.479 -0.452 20 0 FBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCO)CC1 ZINC001070367090 842289302 /nfs/dbraw/zinc/28/93/02/842289302.db2.gz DKOXKNPPCLSVEA-VYDXJSESSA-N 2 0 352.479 -0.452 20 0 FBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH+](CCO)CC2)C1 ZINC001070382518 842292753 /nfs/dbraw/zinc/29/27/53/842292753.db2.gz DLECWQURVRABKA-INMHGKMJSA-N 2 0 352.479 -0.594 20 0 FBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH+](CCO)CC2)C1 ZINC001070382519 842292549 /nfs/dbraw/zinc/29/25/49/842292549.db2.gz DLECWQURVRABKA-UXLLHSPISA-N 2 0 352.479 -0.594 20 0 FBADRP O=C(C[NH+]1CCCC1)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCO)CC1 ZINC001070382731 842292776 /nfs/dbraw/zinc/29/27/76/842292776.db2.gz OLFIXQWXDRCXBZ-QAPCUYQASA-N 2 0 352.479 -0.450 20 0 FBADRP CC(C)[C@@H](C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC(N)=O)C1)[NH+](C)C ZINC001070503442 842295056 /nfs/dbraw/zinc/29/50/56/842295056.db2.gz BADUQOBBCQZZKZ-BJJXKVORSA-N 2 0 350.467 -0.624 20 0 FBADRP CC(C)[C@H](C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC(N)=O)C1)[NH+](C)C ZINC001070529679 842297677 /nfs/dbraw/zinc/29/76/77/842297677.db2.gz BADUQOBBCQZZKZ-JGGQBBKZSA-N 2 0 350.467 -0.624 20 0 FBADRP CC(C)[C@@H](C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC(N)=O)C1)[NH+](C)C ZINC001070657480 842306257 /nfs/dbraw/zinc/30/62/57/842306257.db2.gz CAAWVGAAMGEHDQ-IOASZLSFSA-N 2 0 350.467 -0.624 20 0 FBADRP CC(C)[C@H](C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC(N)=O)C1)[NH+](C)C ZINC001070687872 842309343 /nfs/dbraw/zinc/30/93/43/842309343.db2.gz CAAWVGAAMGEHDQ-XJKCOSOUSA-N 2 0 350.467 -0.624 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CC(N)=O)CC2)CC[N@@H+]1C ZINC001071056991 842329376 /nfs/dbraw/zinc/32/93/76/842329376.db2.gz WFJQFMNVJRTSIG-MMTVNHQJSA-N 2 0 352.479 -0.202 20 0 FBADRP C[NH+](C)C1(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CC(N)=O)CC2)CCC1 ZINC001071061044 842329814 /nfs/dbraw/zinc/32/98/14/842329814.db2.gz KZEMGJXKHRNLKA-ZBFHGGJFSA-N 2 0 352.479 -0.058 20 0 FBADRP C[N@H+](CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(N)=O)CC1)C1CCC1 ZINC001071062239 842330462 /nfs/dbraw/zinc/33/04/62/842330462.db2.gz RICNRYYAQHMPAP-QAPCUYQASA-N 2 0 352.479 -0.058 20 0 FBADRP C[NH+](C)[C@@H](C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(N)=O)CC1)C1CC1 ZINC001071062256 842330312 /nfs/dbraw/zinc/33/03/12/842330312.db2.gz SHAHIGZCIJWWLG-OIISXLGYSA-N 2 0 352.479 -0.202 20 0 FBADRP C[NH+](C)[C@H](C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(N)=O)CC1)C1CC1 ZINC001071062257 842330567 /nfs/dbraw/zinc/33/05/67/842330567.db2.gz SHAHIGZCIJWWLG-PVAVHDDUSA-N 2 0 352.479 -0.202 20 0 FBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(N)=O)CC1 ZINC001071066240 842330426 /nfs/dbraw/zinc/33/04/26/842330426.db2.gz IQUYIDLBJJLWIT-INMHGKMJSA-N 2 0 352.479 -0.058 20 0 FBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(N)=O)CC1 ZINC001071066241 842329955 /nfs/dbraw/zinc/32/99/55/842329955.db2.gz IQUYIDLBJJLWIT-VYDXJSESSA-N 2 0 352.479 -0.058 20 0 FBADRP C[NH+]1CCC(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CC(N)=O)CC2)CC1 ZINC001071082809 842330949 /nfs/dbraw/zinc/33/09/49/842330949.db2.gz QFXYPBUOOYAHKV-WBVHZDCISA-N 2 0 352.479 -0.201 20 0 FBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(N)=O)CC1 ZINC001071086144 842331972 /nfs/dbraw/zinc/33/19/72/842331972.db2.gz RFGLOHNSEJCOQU-JOQOYGCGSA-N 2 0 352.479 -0.058 20 0 FBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(N)=O)CC1 ZINC001071086145 842332397 /nfs/dbraw/zinc/33/23/97/842332397.db2.gz RFGLOHNSEJCOQU-SIIHOXLZSA-N 2 0 352.479 -0.058 20 0 FBADRP C[C@H]1CC[N@H+](CC(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CC(N)=O)CC2)C1 ZINC001071087094 842332859 /nfs/dbraw/zinc/33/28/59/842332859.db2.gz KMYYIYDCSXMGGT-JOQOYGCGSA-N 2 0 352.479 -0.201 20 0 FBADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CC(N)=O)CC2)C1 ZINC001071087095 842332520 /nfs/dbraw/zinc/33/25/20/842332520.db2.gz KMYYIYDCSXMGGT-SIIHOXLZSA-N 2 0 352.479 -0.201 20 0 FBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CC(N)=O)CC2)C1 ZINC001071098421 842332310 /nfs/dbraw/zinc/33/23/10/842332310.db2.gz MSVMYNAYBMUXFA-JOQOYGCGSA-N 2 0 352.479 -0.201 20 0 FBADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CC(N)=O)CC2)C1 ZINC001071098422 842331903 /nfs/dbraw/zinc/33/19/03/842331903.db2.gz MSVMYNAYBMUXFA-SIIHOXLZSA-N 2 0 352.479 -0.201 20 0 FBADRP NC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001071098709 842332063 /nfs/dbraw/zinc/33/20/63/842332063.db2.gz BCRKRVFDIKZKIC-ZBFHGGJFSA-N 2 0 350.463 -0.447 20 0 FBADRP C[C@H]([NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[NH+]2CCCC2)CC1)C(N)=O ZINC001071104238 842333730 /nfs/dbraw/zinc/33/37/30/842333730.db2.gz NFJDHEHAHLFXLC-LXZKKBNFSA-N 2 0 352.479 -0.058 20 0 FBADRP C[C@@H]([NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[NH+]2CCCC2)CC1)C(N)=O ZINC001071104239 842334206 /nfs/dbraw/zinc/33/42/06/842334206.db2.gz NFJDHEHAHLFXLC-UNEWFSDZSA-N 2 0 352.479 -0.058 20 0 FBADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](CCn3cncn3)CCCO2)CC[N@@H+]1C ZINC001073611134 842349596 /nfs/dbraw/zinc/34/95/96/842349596.db2.gz OFKHGSWBFJYTDZ-BZUAXINKSA-N 2 0 350.467 -0.175 20 0 FBADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[NH+](CCn3cncn3)CCCO2)CC[N@@H+]1C ZINC001073611135 842350873 /nfs/dbraw/zinc/35/08/73/842350873.db2.gz OFKHGSWBFJYTDZ-OWCLPIDISA-N 2 0 350.467 -0.175 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CCC(O)(CNC(=O)CC[NH+](C)C)CC2)CC[N@@H+]1C ZINC001074603230 842364186 /nfs/dbraw/zinc/36/41/86/842364186.db2.gz AERGCHKQUOPFGF-HUUCEWRRSA-N 2 0 354.495 -0.252 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]CCN3C(=O)CNC3=O)[C@@H]2C)CC[N@@H+]1C ZINC001074661612 842369682 /nfs/dbraw/zinc/36/96/82/842369682.db2.gz BGNAAMAQMXNICL-RQJABVFESA-N 2 0 351.451 -0.543 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]CC(=O)N3CCOCC3)[C@@H]2C)CC[N@@H+]1C ZINC001074661668 842369375 /nfs/dbraw/zinc/36/93/75/842369375.db2.gz FCIGIILBECUOQW-QXSJWSMHSA-N 2 0 352.479 -0.236 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3nc(=O)n(C)[nH]3)[C@@H]2C)CC[N@@H+]1C ZINC001074663123 842369020 /nfs/dbraw/zinc/36/90/20/842369020.db2.gz JCRGGHWGKZEJCV-XDQVBPFNSA-N 2 0 350.467 -0.082 20 0 FBADRP C[C@@H]1[C@H](C(=O)NCC2(O)CCN(C(=O)CC[NH+](C)C)CC2)CC[N@@H+]1C ZINC001074713299 842371333 /nfs/dbraw/zinc/37/13/33/842371333.db2.gz QDICVUBQAXVTFP-HUUCEWRRSA-N 2 0 354.495 -0.252 20 0 FBADRP CN(C(=O)CN1C[C@@H]2CCN(C(=O)[C@@H]3CN(C)CCO3)[C@@H]2C1)C1CC1 ZINC001075645316 679547762 /nfs/dbraw/zinc/54/77/62/679547762.db2.gz YDECBGZHFMWDFY-IMJJTQAJSA-N 2 0 350.463 -0.530 20 0 FBADRP CN(C(=O)CN1C[C@@H]2CCN(C(=O)[C@H]3CN(C)CCO3)[C@@H]2C1)C1CC1 ZINC001075645317 679547685 /nfs/dbraw/zinc/54/76/85/679547685.db2.gz YDECBGZHFMWDFY-NUEKZKHPSA-N 2 0 350.463 -0.530 20 0 FBADRP CC[C@H](C(=O)N1CC[C@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@H]21)[NH+](C)C ZINC001075942089 679595079 /nfs/dbraw/zinc/59/50/79/679595079.db2.gz UBGPGZYPEDTWAB-BFHYXJOUSA-N 2 0 351.451 -0.589 20 0 FBADRP CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@H]21)[NH+](C)C ZINC001076255129 679627079 /nfs/dbraw/zinc/62/70/79/679627079.db2.gz UBGPGZYPEDTWAB-MELADBBJSA-N 2 0 351.451 -0.589 20 0 FBADRP C[NH+]1CCC(OCC(=O)N2CC[C@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@H]32)CC1 ZINC001076407656 836547080 /nfs/dbraw/zinc/54/70/80/836547080.db2.gz PEVBFXONPBODDI-CWRNSKLLSA-N 2 0 350.463 -0.482 20 0 FBADRP C[NH+]1CCC(OCC(=O)N2CC[C@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@H]32)CC1 ZINC001076407657 836547930 /nfs/dbraw/zinc/54/79/30/836547930.db2.gz PEVBFXONPBODDI-NUEKZKHPSA-N 2 0 350.463 -0.482 20 0 FBADRP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001076407661 836547620 /nfs/dbraw/zinc/54/76/20/836547620.db2.gz PTLORZVKMZDVQY-CWRNSKLLSA-N 2 0 352.479 -0.106 20 0 FBADRP CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001076407662 836547483 /nfs/dbraw/zinc/54/74/83/836547483.db2.gz PTLORZVKMZDVQY-NUEKZKHPSA-N 2 0 352.479 -0.106 20 0 FBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3C[NH+](CCN4CCCS4(=O)=O)C[C@H]32)C1 ZINC001076567626 836555024 /nfs/dbraw/zinc/55/50/24/836555024.db2.gz CIWHJJYMOHTSRO-ARFHVFGLSA-N 2 0 370.519 -0.494 20 0 FBADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3C[NH+](CCN4CCCS4(=O)=O)C[C@H]32)C1 ZINC001076567627 836555078 /nfs/dbraw/zinc/55/50/78/836555078.db2.gz CIWHJJYMOHTSRO-HRCADAONSA-N 2 0 370.519 -0.494 20 0 FBADRP CC[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1)OC ZINC001077014156 836656762 /nfs/dbraw/zinc/65/67/62/836656762.db2.gz GMEHKLAHCHMRBE-FVQBIDKESA-N 2 0 353.467 -0.355 20 0 FBADRP CC[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1)OC ZINC001077014157 836656837 /nfs/dbraw/zinc/65/68/37/836656837.db2.gz GMEHKLAHCHMRBE-NUEKZKHPSA-N 2 0 353.467 -0.355 20 0 FBADRP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCOC3)C[C@H]2O)n1 ZINC001077014194 836656665 /nfs/dbraw/zinc/65/66/65/836656665.db2.gz IFFZCEWADPMGLS-FVQBIDKESA-N 2 0 351.451 -0.744 20 0 FBADRP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCOC3)C[C@H]2O)n1 ZINC001077014195 836656225 /nfs/dbraw/zinc/65/62/25/836656225.db2.gz IFFZCEWADPMGLS-NUEKZKHPSA-N 2 0 351.451 -0.744 20 0 FBADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2C[N@H+](CCCO)C[C@H]2O)CC1 ZINC001077015121 836655870 /nfs/dbraw/zinc/65/58/70/836655870.db2.gz CMZLWAZXHDWUEO-VQHPVUNQSA-N 2 0 355.479 -0.723 20 0 FBADRP COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001077015308 836655694 /nfs/dbraw/zinc/65/56/94/836655694.db2.gz NJVYJMOJBILUAM-VQHPVUNQSA-N 2 0 355.479 -0.459 20 0 FBADRP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCCN3CCCC3=O)C[C@H]2O)CC[N@@H+]1C ZINC001077024528 836658010 /nfs/dbraw/zinc/65/80/10/836658010.db2.gz BNBZNNYTJNDHBB-KLHDSHLOSA-N 2 0 352.479 -0.500 20 0 FBADRP C[C@@H](CCNC(=O)COCC[NH+](C)C)NC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001077495809 836957601 /nfs/dbraw/zinc/95/76/01/836957601.db2.gz SDBADBLCFRZYFW-RRFJBIMHSA-N 2 0 358.483 -0.705 20 0 FBADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CN(CCn3cncn3)C[C@H]2O)C1 ZINC001077553728 837151907 /nfs/dbraw/zinc/15/19/07/837151907.db2.gz PYLSANXTGGVWHA-ARFHVFGLSA-N 2 0 350.467 -0.439 20 0 FBADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CN(CCn3cncn3)C[C@H]2O)C1 ZINC001077553729 837151507 /nfs/dbraw/zinc/15/15/07/837151507.db2.gz PYLSANXTGGVWHA-BZUAXINKSA-N 2 0 350.467 -0.439 20 0 FBADRP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCCN3CCCC3=O)C[C@H]2O)CC1 ZINC001077618270 837254969 /nfs/dbraw/zinc/25/49/69/837254969.db2.gz DTKLMHZUQDAXBR-HZPDHXFCSA-N 2 0 352.479 -0.498 20 0 FBADRP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCNC(=O)CC3)C[C@H]2O)CC1 ZINC001077618966 837254106 /nfs/dbraw/zinc/25/41/06/837254106.db2.gz XJOHYUUEKARWDU-FVQBIDKESA-N 2 0 352.479 -0.594 20 0 FBADRP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]2O)CC1 ZINC001077618967 837254785 /nfs/dbraw/zinc/25/47/85/837254785.db2.gz XJOHYUUEKARWDU-NUEKZKHPSA-N 2 0 352.479 -0.594 20 0 FBADRP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCOC3)C[C@H]2O)cn1 ZINC001077818220 837349553 /nfs/dbraw/zinc/34/95/53/837349553.db2.gz LDEXPVQEQQTWQH-FVQBIDKESA-N 2 0 351.451 -0.744 20 0 FBADRP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCOC3)C[C@H]2O)cn1 ZINC001077818221 837350244 /nfs/dbraw/zinc/35/02/44/837350244.db2.gz LDEXPVQEQQTWQH-NUEKZKHPSA-N 2 0 351.451 -0.744 20 0 FBADRP CC1CC[NH+](CC(=O)N[C@@H]2CN(CCN3CCCC3=O)C[C@H]2O)CC1 ZINC001077892862 837382572 /nfs/dbraw/zinc/38/25/72/837382572.db2.gz NQNWZEDSBJDWNK-HZPDHXFCSA-N 2 0 352.479 -0.498 20 0 FBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CCCN3CCCC3=O)C[C@H]2O)C1 ZINC001078008746 837431461 /nfs/dbraw/zinc/43/14/61/837431461.db2.gz VHKTZMIEXIGYRB-ARFHVFGLSA-N 2 0 352.479 -0.498 20 0 FBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CCCN3CCCC3=O)C[C@H]2O)C1 ZINC001078008747 837431553 /nfs/dbraw/zinc/43/15/53/837431553.db2.gz VHKTZMIEXIGYRB-BZUAXINKSA-N 2 0 352.479 -0.498 20 0 FBADRP O=C(N[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078011776 837431612 /nfs/dbraw/zinc/43/16/12/837431612.db2.gz HDJHRIVRUTVRQK-RBSFLKMASA-N 2 0 350.463 -0.840 20 0 FBADRP O=C(N[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078011777 837431194 /nfs/dbraw/zinc/43/11/94/837431194.db2.gz HDJHRIVRUTVRQK-RRFJBIMHSA-N 2 0 350.463 -0.840 20 0 FBADRP O=C(N[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078012258 837431386 /nfs/dbraw/zinc/43/13/86/837431386.db2.gz YXWSUCSUYIZZGR-HUUCEWRRSA-N 2 0 350.463 -0.744 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CCCO[C@H](C[NH2+]Cc3cnnn3C)C2)CC[N@@H+]1C ZINC001078405405 837504315 /nfs/dbraw/zinc/50/43/15/837504315.db2.gz MNHGIWMNKKHMTA-FVQBIDKESA-N 2 0 350.467 -0.138 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](C[NH2+]Cc3cnnn3C)C2)CC[N@@H+]1C ZINC001078405406 837503889 /nfs/dbraw/zinc/50/38/89/837503889.db2.gz MNHGIWMNKKHMTA-VNQPRFMTSA-N 2 0 350.467 -0.138 20 0 FBADRP C[C@@H]1C[N@H+](CCCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001079489569 837884381 /nfs/dbraw/zinc/88/43/81/837884381.db2.gz GCJCBLMJYZYSJB-MCIONIFRSA-N 2 0 351.451 -0.541 20 0 FBADRP C[C@@H]1C[N@H+](CCCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001079489570 837885093 /nfs/dbraw/zinc/88/50/93/837885093.db2.gz GCJCBLMJYZYSJB-MGPQQGTHSA-N 2 0 351.451 -0.541 20 0 FBADRP C[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001079723641 837903175 /nfs/dbraw/zinc/90/31/75/837903175.db2.gz CEWYXUNHBUJKFV-AAVRWANBSA-N 2 0 351.451 -0.685 20 0 FBADRP C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001079724801 837903070 /nfs/dbraw/zinc/90/30/70/837903070.db2.gz FHTVSSWAETZHJV-KBUPBQIOSA-N 2 0 350.463 -0.088 20 0 FBADRP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(C(=O)COCC[NH+](C)C)C1 ZINC001079860027 837915318 /nfs/dbraw/zinc/91/53/18/837915318.db2.gz RRUKCKKOKJVTCW-GDBMZVCRSA-N 2 0 354.495 -0.036 20 0 FBADRP CCN(C(=O)COCC[NH+](C)C)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001080139163 838048246 /nfs/dbraw/zinc/04/82/46/838048246.db2.gz XVCXMECXKGBFBO-GDBMZVCRSA-N 2 0 354.495 -0.036 20 0 FBADRP C[C@@H]1C[N@H+](C[C@H](O)CN2CCCC2=O)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001080266039 838053974 /nfs/dbraw/zinc/05/39/74/838053974.db2.gz KVCOXWDKTMICFL-QKPAOTATSA-N 2 0 352.479 -0.500 20 0 FBADRP C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001080383596 838066591 /nfs/dbraw/zinc/06/65/91/838066591.db2.gz LWPHSKNGUWBSBY-UKRRQHHQSA-N 2 0 350.463 -0.086 20 0 FBADRP C[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001080383792 838066192 /nfs/dbraw/zinc/06/61/92/838066192.db2.gz XTWKUNQYXLPGAX-TZMCWYRMSA-N 2 0 351.451 -0.684 20 0 FBADRP C[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)C[NH+]1CCC[C@@H]1C ZINC001080442748 838071311 /nfs/dbraw/zinc/07/13/11/838071311.db2.gz LINUUAXPJRIKRC-HZSPNIEDSA-N 2 0 351.451 -0.541 20 0 FBADRP C[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)C[NH+]1CCC[C@H]1C ZINC001080442749 838071203 /nfs/dbraw/zinc/07/12/03/838071203.db2.gz LINUUAXPJRIKRC-MGPQQGTHSA-N 2 0 351.451 -0.541 20 0 FBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCN3C(=O)CCC3=O)C[C@H]2C)C1 ZINC001080448792 838069490 /nfs/dbraw/zinc/06/94/90/838069490.db2.gz CHJXRDNMOIKXOU-RBSFLKMASA-N 2 0 350.463 -0.086 20 0 FBADRP C[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001080448794 838069677 /nfs/dbraw/zinc/06/96/77/838069677.db2.gz CHJXRDNMOIKXOU-RRFJBIMHSA-N 2 0 350.463 -0.086 20 0 FBADRP C[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001080449084 838070931 /nfs/dbraw/zinc/07/09/31/838070931.db2.gz GSWWEWBPDIOISP-BFHYXJOUSA-N 2 0 351.451 -0.684 20 0 FBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCN3C(=O)CNC3=O)C[C@H]2C)C1 ZINC001080449086 838070257 /nfs/dbraw/zinc/07/02/57/838070257.db2.gz GSWWEWBPDIOISP-MGPQQGTHSA-N 2 0 351.451 -0.684 20 0 FBADRP C[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001080558776 838078614 /nfs/dbraw/zinc/07/86/14/838078614.db2.gz CVLIDYISVUPDPH-BPLDGKMQSA-N 2 0 350.463 -0.040 20 0 FBADRP C[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001080558777 838078504 /nfs/dbraw/zinc/07/85/04/838078504.db2.gz CVLIDYISVUPDPH-YUELXQCFSA-N 2 0 350.463 -0.040 20 0 FBADRP C[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001080783453 838097449 /nfs/dbraw/zinc/09/74/49/838097449.db2.gz SVIZAASVQYMXGN-HZSPNIEDSA-N 2 0 351.451 -0.684 20 0 FBADRP C[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001080783455 838097134 /nfs/dbraw/zinc/09/71/34/838097134.db2.gz SVIZAASVQYMXGN-MGPQQGTHSA-N 2 0 351.451 -0.684 20 0 FBADRP C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001080783650 838099166 /nfs/dbraw/zinc/09/91/66/838099166.db2.gz YXZUUIIILCEZMW-QLFBSQMISA-N 2 0 350.463 -0.086 20 0 FBADRP C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001080783651 838098500 /nfs/dbraw/zinc/09/85/00/838098500.db2.gz YXZUUIIILCEZMW-RBSFLKMASA-N 2 0 350.463 -0.086 20 0 FBADRP C[C@@H]1[C@H](C(=O)NC2(CO)CCN(C(=O)CC[NH+](C)C)CC2)CC[N@@H+]1C ZINC001080877723 838109148 /nfs/dbraw/zinc/10/91/48/838109148.db2.gz JWYNALWUMUQFRD-HUUCEWRRSA-N 2 0 354.495 -0.252 20 0 FBADRP C[C@@H]1C[N@H+](CCCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001080936340 838118732 /nfs/dbraw/zinc/11/87/32/838118732.db2.gz TYGNXQKBFWNGHV-HZSPNIEDSA-N 2 0 351.451 -0.684 20 0 FBADRP C[C@@H]1C[N@H+](CCCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001080936341 838118795 /nfs/dbraw/zinc/11/87/95/838118795.db2.gz TYGNXQKBFWNGHV-MGPQQGTHSA-N 2 0 351.451 -0.684 20 0 FBADRP C[C@@H]1C[N@H+](CCCN2C(=O)CNC2=O)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001080939797 838118643 /nfs/dbraw/zinc/11/86/43/838118643.db2.gz KIESKMFHHSZYBJ-ZIAGYGMSSA-N 2 0 351.451 -0.539 20 0 FBADRP C[C@@H]1C[N@H+](C[C@H](O)CN2CCCC2=O)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001080942829 838118934 /nfs/dbraw/zinc/11/89/34/838118934.db2.gz BQTJKAKVPUMSJJ-OWCLPIDISA-N 2 0 352.479 -0.498 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CCC(CO)(NC(=O)CC[NH+](C)C)CC2)CC[N@@H+]1C ZINC001080989557 838130059 /nfs/dbraw/zinc/13/00/59/838130059.db2.gz ZWRLBXPVXTUGON-HUUCEWRRSA-N 2 0 354.495 -0.252 20 0 FBADRP CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001081683975 838181428 /nfs/dbraw/zinc/18/14/28/838181428.db2.gz YYIIRMXGDYIQGQ-VQHPVUNQSA-N 2 0 355.479 -0.459 20 0 FBADRP CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](OC)C1 ZINC001081686109 838181704 /nfs/dbraw/zinc/18/17/04/838181704.db2.gz GEIRYQZQSUSRMI-FVQBIDKESA-N 2 0 353.467 -0.091 20 0 FBADRP CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](OC)C1 ZINC001081686110 838181328 /nfs/dbraw/zinc/18/13/28/838181328.db2.gz GEIRYQZQSUSRMI-NUEKZKHPSA-N 2 0 353.467 -0.091 20 0 FBADRP COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](OC)C1 ZINC001081686136 838181312 /nfs/dbraw/zinc/18/13/12/838181312.db2.gz HNRFDTQLDTVYEL-FVQBIDKESA-N 2 0 353.467 -0.091 20 0 FBADRP COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](OC)C1 ZINC001081686137 838181531 /nfs/dbraw/zinc/18/15/31/838181531.db2.gz HNRFDTQLDTVYEL-NUEKZKHPSA-N 2 0 353.467 -0.091 20 0 FBADRP CO[C@@H]1C[N@H+](CCCO)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001081796170 838193551 /nfs/dbraw/zinc/19/35/51/838193551.db2.gz HTUAMUSMFFJVOH-BRWVUGGUSA-N 2 0 355.479 -0.172 20 0 FBADRP CO[C@@H]1C[N@H+](CCCO)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001081796171 838192762 /nfs/dbraw/zinc/19/27/62/838192762.db2.gz HTUAMUSMFFJVOH-IXDOHACOSA-N 2 0 355.479 -0.172 20 0 FBADRP CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](OC)C1 ZINC001082222099 838744776 /nfs/dbraw/zinc/74/47/76/838744776.db2.gz GKUMGSPTLXEFML-FVQBIDKESA-N 2 0 353.467 -0.091 20 0 FBADRP CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](OC)C1 ZINC001082222100 838745165 /nfs/dbraw/zinc/74/51/65/838745165.db2.gz GKUMGSPTLXEFML-NUEKZKHPSA-N 2 0 353.467 -0.091 20 0 FBADRP COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](OC)C1 ZINC001082223481 838745315 /nfs/dbraw/zinc/74/53/15/838745315.db2.gz YYJXQSTXYSEZKZ-FVQBIDKESA-N 2 0 353.467 -0.091 20 0 FBADRP COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](OC)C1 ZINC001082223482 838745507 /nfs/dbraw/zinc/74/55/07/838745507.db2.gz YYJXQSTXYSEZKZ-NUEKZKHPSA-N 2 0 353.467 -0.091 20 0 FBADRP CO[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001082369796 838781755 /nfs/dbraw/zinc/78/17/55/838781755.db2.gz CLUOUXCWZXEVNX-ARFHVFGLSA-N 2 0 352.479 -0.234 20 0 FBADRP CO[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001082369797 838782642 /nfs/dbraw/zinc/78/26/42/838782642.db2.gz CLUOUXCWZXEVNX-BZUAXINKSA-N 2 0 352.479 -0.234 20 0 FBADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CCN1CCCS1(=O)=O ZINC001082448679 838807074 /nfs/dbraw/zinc/80/70/74/838807074.db2.gz YSTOOCNNYKZBKZ-KFWWJZLASA-N 2 0 358.508 -0.447 20 0 FBADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CCN1CCCS1(=O)=O ZINC001082448680 838806764 /nfs/dbraw/zinc/80/67/64/838806764.db2.gz YSTOOCNNYKZBKZ-RBSFLKMASA-N 2 0 358.508 -0.447 20 0 FBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001082507079 838816090 /nfs/dbraw/zinc/81/60/90/838816090.db2.gz AXUSGDMXSIIWAC-MCIONIFRSA-N 2 0 350.467 -0.082 20 0 FBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001082507080 838816756 /nfs/dbraw/zinc/81/67/56/838816756.db2.gz AXUSGDMXSIIWAC-MGPQQGTHSA-N 2 0 350.467 -0.082 20 0 FBADRP CC[C@@H]([NH2+][C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C)C(N)=O ZINC001082517817 838816775 /nfs/dbraw/zinc/81/67/75/838816775.db2.gz HVXJCJPVKKYLIT-UMVBOHGHSA-N 2 0 350.467 -0.241 20 0 FBADRP CC[C@H]([NH2+][C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C)C(N)=O ZINC001082517818 838816745 /nfs/dbraw/zinc/81/67/45/838816745.db2.gz HVXJCJPVKKYLIT-VNHYZAJKSA-N 2 0 350.467 -0.241 20 0 FBADRP C[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C[C@H]1[NH2+]CC(N)=O ZINC001082518391 838817610 /nfs/dbraw/zinc/81/76/10/838817610.db2.gz NJPRVLMXRAXDSM-MMTVNHQJSA-N 2 0 352.479 -0.345 20 0 FBADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001082520123 838818654 /nfs/dbraw/zinc/81/86/54/838818654.db2.gz BIKFNDKUGOIBSE-KBUPBQIOSA-N 2 0 350.463 -0.088 20 0 FBADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1[NH2+]CCN1CCCS1(=O)=O ZINC001082520138 838818315 /nfs/dbraw/zinc/81/83/15/838818315.db2.gz CLANVIUOTFKOOU-KLHDSHLOSA-N 2 0 372.535 -0.201 20 0 FBADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001082520250 838818084 /nfs/dbraw/zinc/81/80/84/838818084.db2.gz KOZRFYKWPIOZFJ-AAVRWANBSA-N 2 0 351.451 -0.685 20 0 FBADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001082521108 838818709 /nfs/dbraw/zinc/81/87/09/838818709.db2.gz NMSZGPQBMADGNZ-KLHDSHLOSA-N 2 0 352.479 -0.378 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)CC[N@@H+]1C ZINC001082522493 838817546 /nfs/dbraw/zinc/81/75/46/838817546.db2.gz LJHIJBCSFABEQF-XJFOESAGSA-N 2 0 350.467 -0.225 20 0 FBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001082544851 838822102 /nfs/dbraw/zinc/82/21/02/838822102.db2.gz VIYQADOXRKNLQZ-MCIONIFRSA-N 2 0 350.467 -0.081 20 0 FBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001082544852 838822407 /nfs/dbraw/zinc/82/24/07/838822407.db2.gz VIYQADOXRKNLQZ-MGPQQGTHSA-N 2 0 350.467 -0.081 20 0 FBADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001082557360 838825661 /nfs/dbraw/zinc/82/56/61/838825661.db2.gz ZHKHYNLHYLENJF-CHWSQXEVSA-N 2 0 351.451 -0.541 20 0 FBADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001082557552 838825837 /nfs/dbraw/zinc/82/58/37/838825837.db2.gz NDQBYBFENRNUOE-HUUCEWRRSA-N 2 0 352.479 -0.234 20 0 FBADRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001082559542 838825241 /nfs/dbraw/zinc/82/52/41/838825241.db2.gz IOKHNRDHPGSEDR-KYOSRNDESA-N 2 0 351.451 -0.685 20 0 FBADRP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001082559543 838825368 /nfs/dbraw/zinc/82/53/68/838825368.db2.gz IOKHNRDHPGSEDR-UXIGCNINSA-N 2 0 351.451 -0.685 20 0 FBADRP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001082559914 838825974 /nfs/dbraw/zinc/82/59/74/838825974.db2.gz SMPSSHUMELGDOV-FRFSOERESA-N 2 0 352.479 -0.378 20 0 FBADRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001082559915 838826340 /nfs/dbraw/zinc/82/63/40/838826340.db2.gz SMPSSHUMELGDOV-UNEWFSDZSA-N 2 0 352.479 -0.378 20 0 FBADRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001082560131 838824952 /nfs/dbraw/zinc/82/49/52/838824952.db2.gz BECSCMBTWHKDIG-MRRJBJDNSA-N 2 0 350.463 -0.088 20 0 FBADRP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001082560132 838826035 /nfs/dbraw/zinc/82/60/35/838826035.db2.gz BECSCMBTWHKDIG-SUYBPPKGSA-N 2 0 350.463 -0.088 20 0 FBADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001082561865 838826139 /nfs/dbraw/zinc/82/61/39/838826139.db2.gz WYVVHDHPSYBFCI-TZMCWYRMSA-N 2 0 351.451 -0.541 20 0 FBADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001082562108 838826216 /nfs/dbraw/zinc/82/62/16/838826216.db2.gz OMOIEBWNQPWHCQ-GDBMZVCRSA-N 2 0 352.479 -0.234 20 0 FBADRP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001082570715 838827588 /nfs/dbraw/zinc/82/75/88/838827588.db2.gz WHCWZBLKQKHPBT-HZSPNIEDSA-N 2 0 350.467 -0.081 20 0 FBADRP C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001082570716 838826691 /nfs/dbraw/zinc/82/66/91/838826691.db2.gz WHCWZBLKQKHPBT-MGPQQGTHSA-N 2 0 350.467 -0.081 20 0 FBADRP CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCOCC2)C1)[NH+](C)C ZINC001082575148 838829032 /nfs/dbraw/zinc/82/90/32/838829032.db2.gz NPKMGMHYKSOFOG-INMHGKMJSA-N 2 0 354.495 -0.132 20 0 FBADRP CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2C(=O)CNC2=O)C1)[NH+](C)C ZINC001082575513 838828859 /nfs/dbraw/zinc/82/88/59/838828859.db2.gz KODJENBPKHQJNR-NFAWXSAZSA-N 2 0 353.467 -0.439 20 0 FBADRP CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCCS2(=O)=O)C1)[NH+](C)C ZINC001082589208 838828543 /nfs/dbraw/zinc/82/85/43/838828543.db2.gz OKOMMRWWNYJGGI-RBSFLKMASA-N 2 0 360.524 -0.201 20 0 FBADRP C[C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1[NH2+][C@H]1CCNC1=O ZINC001082592517 838830466 /nfs/dbraw/zinc/83/04/66/838830466.db2.gz JMYHIYYYWLAMCZ-QLFBSQMISA-N 2 0 352.479 -0.330 20 0 FBADRP C[C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1[NH2+][C@@H]1CCNC1=O ZINC001082592518 838830850 /nfs/dbraw/zinc/83/08/50/838830850.db2.gz JMYHIYYYWLAMCZ-RBSFLKMASA-N 2 0 352.479 -0.330 20 0 FBADRP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001082596440 838832444 /nfs/dbraw/zinc/83/24/44/838832444.db2.gz LNSLDKBNXUBXIP-MCIONIFRSA-N 2 0 351.451 -0.541 20 0 FBADRP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001082596441 838831721 /nfs/dbraw/zinc/83/17/21/838831721.db2.gz LNSLDKBNXUBXIP-MGPQQGTHSA-N 2 0 351.451 -0.541 20 0 FBADRP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001082596607 838832116 /nfs/dbraw/zinc/83/21/16/838832116.db2.gz ROXJEVPUTDJOLB-BZUAXINKSA-N 2 0 352.479 -0.234 20 0 FBADRP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001082596608 838832314 /nfs/dbraw/zinc/83/23/14/838832314.db2.gz ROXJEVPUTDJOLB-OAGGEKHMSA-N 2 0 352.479 -0.234 20 0 FBADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001082681591 838846162 /nfs/dbraw/zinc/84/61/62/838846162.db2.gz CSSAYLSAFHFYQR-CHWSQXEVSA-N 2 0 350.467 -0.081 20 0 FBADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001082705527 838850382 /nfs/dbraw/zinc/85/03/82/838850382.db2.gz JGURUJJLARHRJW-ZOBORPQBSA-N 2 0 350.467 -0.225 20 0 FBADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001082719784 838852726 /nfs/dbraw/zinc/85/27/26/838852726.db2.gz LZPDZLYLOJPYMY-TZMCWYRMSA-N 2 0 351.451 -0.684 20 0 FBADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001082719802 838851730 /nfs/dbraw/zinc/85/17/30/838851730.db2.gz NLZOEVFWWPYPHV-GDBMZVCRSA-N 2 0 352.479 -0.377 20 0 FBADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001082720536 838852434 /nfs/dbraw/zinc/85/24/34/838852434.db2.gz ZATJRCDAEJMMRH-UKRRQHHQSA-N 2 0 350.463 -0.086 20 0 FBADRP CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCOCC2)C1)[NH+](C)C ZINC001082724188 838852578 /nfs/dbraw/zinc/85/25/78/838852578.db2.gz NPKMGMHYKSOFOG-BFYDXBDKSA-N 2 0 354.495 -0.132 20 0 FBADRP CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2C(=O)CNC2=O)C1)[NH+](C)C ZINC001082724796 838854381 /nfs/dbraw/zinc/85/43/81/838854381.db2.gz KODJENBPKHQJNR-UMVBOHGHSA-N 2 0 353.467 -0.439 20 0 FBADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001082740830 838854733 /nfs/dbraw/zinc/85/47/33/838854733.db2.gz HTALDOVKACZYRT-BZUAXINKSA-N 2 0 352.479 -0.234 20 0 FBADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001082740831 838855326 /nfs/dbraw/zinc/85/53/26/838855326.db2.gz HTALDOVKACZYRT-OWCLPIDISA-N 2 0 352.479 -0.234 20 0 FBADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001082741332 838855125 /nfs/dbraw/zinc/85/51/25/838855125.db2.gz XWRSWKFCZMWSJB-HZSPNIEDSA-N 2 0 351.451 -0.541 20 0 FBADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001082741333 838855793 /nfs/dbraw/zinc/85/57/93/838855793.db2.gz XWRSWKFCZMWSJB-MGPQQGTHSA-N 2 0 351.451 -0.541 20 0 FBADRP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001082742346 838855576 /nfs/dbraw/zinc/85/55/76/838855576.db2.gz BPMDXGMEEJFIDB-BFHYXJOUSA-N 2 0 351.451 -0.684 20 0 FBADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C)[C@H]([NH2+]CCN3C(=O)CNC3=O)C2)C1 ZINC001082742347 838855864 /nfs/dbraw/zinc/85/58/64/838855864.db2.gz BPMDXGMEEJFIDB-MGPQQGTHSA-N 2 0 351.451 -0.684 20 0 FBADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C)[C@H]([NH2+]CCN3C(=O)CCC3=O)C2)C1 ZINC001082742680 838854815 /nfs/dbraw/zinc/85/48/15/838854815.db2.gz OPXYRNBQGYIWSI-RBSFLKMASA-N 2 0 350.463 -0.086 20 0 FBADRP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001082742681 838855524 /nfs/dbraw/zinc/85/55/24/838855524.db2.gz OPXYRNBQGYIWSI-RRFJBIMHSA-N 2 0 350.463 -0.086 20 0 FBADRP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001082742992 838855296 /nfs/dbraw/zinc/85/52/96/838855296.db2.gz ZXDIOKKWIGGSKT-ARFHVFGLSA-N 2 0 352.479 -0.377 20 0 FBADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N3CCOCC3)C2)C1 ZINC001082742993 838855158 /nfs/dbraw/zinc/85/51/58/838855158.db2.gz ZXDIOKKWIGGSKT-BZUAXINKSA-N 2 0 352.479 -0.377 20 0 FBADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1[NH2+][C@H]1CCC(=O)NC1=O ZINC001082744122 838854961 /nfs/dbraw/zinc/85/49/61/838854961.db2.gz UJDRYKDZTAHBHU-HZSPNIEDSA-N 2 0 350.463 -0.040 20 0 FBADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1[NH2+][C@@H]1CCC(=O)NC1=O ZINC001082744123 838855733 /nfs/dbraw/zinc/85/57/33/838855733.db2.gz UJDRYKDZTAHBHU-MGPQQGTHSA-N 2 0 350.463 -0.040 20 0 FBADRP CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCCS2(=O)=O)C1)[NH+](C)C ZINC001082747370 838848711 /nfs/dbraw/zinc/84/87/11/838848711.db2.gz OKOMMRWWNYJGGI-KFWWJZLASA-N 2 0 360.524 -0.201 20 0 FBADRP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1[NH2+][C@@H]1CCC(=O)NC1=O ZINC001082783600 838860437 /nfs/dbraw/zinc/86/04/37/838860437.db2.gz CXLQTRYLYWWWJC-BPLDGKMQSA-N 2 0 350.463 -0.040 20 0 FBADRP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1[NH2+][C@H]1CCC(=O)NC1=O ZINC001082783601 838860176 /nfs/dbraw/zinc/86/01/76/838860176.db2.gz CXLQTRYLYWWWJC-VHDGCEQUSA-N 2 0 350.463 -0.040 20 0 FBADRP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001082783720 838860623 /nfs/dbraw/zinc/86/06/23/838860623.db2.gz LGMLDDNKKUCTMN-TZMCWYRMSA-N 2 0 350.467 -0.223 20 0 FBADRP CC[C@@H]([NH2+][C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1C)C(N)=O ZINC001082798208 838862110 /nfs/dbraw/zinc/86/21/10/838862110.db2.gz HPQYIVGJKBSCSH-BPLDGKMQSA-N 2 0 350.467 -0.241 20 0 FBADRP CC[C@H]([NH2+][C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1C)C(N)=O ZINC001082798209 838862056 /nfs/dbraw/zinc/86/20/56/838862056.db2.gz HPQYIVGJKBSCSH-VHDGCEQUSA-N 2 0 350.467 -0.241 20 0 FBADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1[NH2+][C@H]1CCC(=O)NC1=O ZINC001082822274 838868560 /nfs/dbraw/zinc/86/85/60/838868560.db2.gz VDCRRIBDRUESCF-QLFBSQMISA-N 2 0 350.463 -0.040 20 0 FBADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1[NH2+][C@@H]1CCC(=O)NC1=O ZINC001082822275 838868867 /nfs/dbraw/zinc/86/88/67/838868867.db2.gz VDCRRIBDRUESCF-RBSFLKMASA-N 2 0 350.463 -0.040 20 0 FBADRP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1[NH2+][C@@H]1CCCNC1=O ZINC001082827839 838869396 /nfs/dbraw/zinc/86/93/96/838869396.db2.gz DKKXKSVTYQWLSX-FVQBIDKESA-N 2 0 352.479 -0.188 20 0 FBADRP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1[NH2+][C@H]1CCCNC1=O ZINC001082827840 838868668 /nfs/dbraw/zinc/86/86/68/838868668.db2.gz DKKXKSVTYQWLSX-VNQPRFMTSA-N 2 0 352.479 -0.188 20 0 FBADRP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1[NH2+]CC(=O)N1CCC1 ZINC001082828176 838869232 /nfs/dbraw/zinc/86/92/32/838869232.db2.gz WOVHWCSUVIAWSZ-GDBMZVCRSA-N 2 0 352.479 -0.234 20 0 FBADRP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1[NH2+]Cc1cnnn1C ZINC001082828179 838869331 /nfs/dbraw/zinc/86/93/31/838869331.db2.gz WWDXJWZGWJVRMT-CZUORRHYSA-N 2 0 350.467 -0.138 20 0 FBADRP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1[NH2+]CCn1cncn1 ZINC001082828769 838868530 /nfs/dbraw/zinc/86/85/30/838868530.db2.gz GXLYBYDODIBXMD-GDBMZVCRSA-N 2 0 350.467 -0.175 20 0 FBADRP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1[NH2+][C@@H]1CCN(C)C1=O ZINC001082828803 838869368 /nfs/dbraw/zinc/86/93/68/838869368.db2.gz JCZHPTKATFUTHV-FVQBIDKESA-N 2 0 352.479 -0.236 20 0 FBADRP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1[NH2+][C@H]1CCN(C)C1=O ZINC001082828804 838868779 /nfs/dbraw/zinc/86/87/79/838868779.db2.gz JCZHPTKATFUTHV-VNQPRFMTSA-N 2 0 352.479 -0.236 20 0 FBADRP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001082860855 838873628 /nfs/dbraw/zinc/87/36/28/838873628.db2.gz RJDXISUBRJQAGW-QLFBSQMISA-N 2 0 350.463 -0.086 20 0 FBADRP C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001082860856 838872487 /nfs/dbraw/zinc/87/24/87/838872487.db2.gz RJDXISUBRJQAGW-RBSFLKMASA-N 2 0 350.463 -0.086 20 0 FBADRP C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001082861655 838874018 /nfs/dbraw/zinc/87/40/18/838874018.db2.gz KEYPFLJATMGLIW-BZUAXINKSA-N 2 0 352.479 -0.377 20 0 FBADRP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001082861656 838874712 /nfs/dbraw/zinc/87/47/12/838874712.db2.gz KEYPFLJATMGLIW-OWCLPIDISA-N 2 0 352.479 -0.377 20 0 FBADRP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001082861723 838874420 /nfs/dbraw/zinc/87/44/20/838874420.db2.gz MNKZMNFVGWPQME-HZSPNIEDSA-N 2 0 351.451 -0.684 20 0 FBADRP C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001082861724 838874486 /nfs/dbraw/zinc/87/44/86/838874486.db2.gz MNKZMNFVGWPQME-MGPQQGTHSA-N 2 0 351.451 -0.684 20 0 FBADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]CCN1CCCS1(=O)=O ZINC001082863071 838874689 /nfs/dbraw/zinc/87/46/89/838874689.db2.gz JGOCQMXWKTYSBC-HUUCEWRRSA-N 2 0 370.519 -0.446 20 0 FBADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001082863165 838874864 /nfs/dbraw/zinc/87/48/64/838874864.db2.gz PMHVAOKGCXYWMX-HUUCEWRRSA-N 2 0 350.463 -0.623 20 0 FBADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001082863453 838874112 /nfs/dbraw/zinc/87/41/12/838874112.db2.gz DEPPEOROKNOSLD-QLFBSQMISA-N 2 0 355.504 -0.047 20 0 FBADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001082863454 838874987 /nfs/dbraw/zinc/87/49/87/838874987.db2.gz DEPPEOROKNOSLD-RBSFLKMASA-N 2 0 355.504 -0.047 20 0 FBADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CCN1CCCS1(=O)=O ZINC001082920094 838882335 /nfs/dbraw/zinc/88/23/35/838882335.db2.gz QFZGRMZDFZKTFZ-QLFBSQMISA-N 2 0 358.508 -0.590 20 0 FBADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CCN1CCCS1(=O)=O ZINC001082920095 838882278 /nfs/dbraw/zinc/88/22/78/838882278.db2.gz QFZGRMZDFZKTFZ-RBSFLKMASA-N 2 0 358.508 -0.590 20 0 FBADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001082921511 838882943 /nfs/dbraw/zinc/88/29/43/838882943.db2.gz QYWALJXDUUZCKB-BZUAXINKSA-N 2 0 352.479 -0.234 20 0 FBADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001082921512 838883790 /nfs/dbraw/zinc/88/37/90/838883790.db2.gz QYWALJXDUUZCKB-OWCLPIDISA-N 2 0 352.479 -0.234 20 0 FBADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]CCN1CCCS1(=O)=O ZINC001082921955 838884189 /nfs/dbraw/zinc/88/41/89/838884189.db2.gz YWMZLSOCMIQGFL-HUUCEWRRSA-N 2 0 358.508 -0.446 20 0 FBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnnn2C)C1 ZINC001082923435 838883009 /nfs/dbraw/zinc/88/30/09/838883009.db2.gz KAVBMKAEVIDELG-IIAWOOMASA-N 2 0 350.467 -0.280 20 0 FBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnnn2C)C1 ZINC001082923436 838883977 /nfs/dbraw/zinc/88/39/77/838883977.db2.gz KAVBMKAEVIDELG-IJEWVQPXSA-N 2 0 350.467 -0.280 20 0 FBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCn2cncn2)C1 ZINC001082923477 838883429 /nfs/dbraw/zinc/88/34/29/838883429.db2.gz LFNOQPGNLFPEKA-BZUAXINKSA-N 2 0 350.467 -0.317 20 0 FBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCn2cncn2)C1 ZINC001082923478 838882774 /nfs/dbraw/zinc/88/27/74/838882774.db2.gz LFNOQPGNLFPEKA-OWCLPIDISA-N 2 0 350.467 -0.317 20 0 FBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001082923645 838883449 /nfs/dbraw/zinc/88/34/49/838883449.db2.gz VLVMOVDJCWJTCX-BZUAXINKSA-N 2 0 352.479 -0.377 20 0 FBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001082923646 838883836 /nfs/dbraw/zinc/88/38/36/838883836.db2.gz VLVMOVDJCWJTCX-OWCLPIDISA-N 2 0 352.479 -0.377 20 0 FBADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001082941724 838889919 /nfs/dbraw/zinc/88/99/19/838889919.db2.gz IXSUEWSQTHTNBI-ZIAGYGMSSA-N 2 0 350.467 -0.079 20 0 FBADRP C[N@H+](CC(=O)N1CCO[C@@H]2C[NH+]([C@H]3CCCNC3=O)C[C@@H]21)C1CCC1 ZINC001083105942 838945684 /nfs/dbraw/zinc/94/56/84/838945684.db2.gz BDDZBWIEVPFLDA-HRCADAONSA-N 2 0 350.463 -0.339 20 0 FBADRP C[N@H+](CC(=O)N1CCO[C@@H]2C[NH+]([C@@H]3CCCNC3=O)C[C@@H]21)C1CCC1 ZINC001083105943 838946169 /nfs/dbraw/zinc/94/61/69/838946169.db2.gz BDDZBWIEVPFLDA-OWCLPIDISA-N 2 0 350.463 -0.339 20 0 FBADRP CN1CC[C@H]([N@@H+]2C[C@H]3OCCN(C(=O)C[NH+](C)C4CCC4)[C@H]3C2)C1=O ZINC001083106497 838946431 /nfs/dbraw/zinc/94/64/31/838946431.db2.gz GQZOKQWAQHKWRR-HRCADAONSA-N 2 0 350.463 -0.387 20 0 FBADRP CN1CC[C@@H]([N@@H+]2C[C@H]3OCCN(C(=O)C[NH+](C)C4CCC4)[C@H]3C2)C1=O ZINC001083106498 838946364 /nfs/dbraw/zinc/94/63/64/838946364.db2.gz GQZOKQWAQHKWRR-OWCLPIDISA-N 2 0 350.463 -0.387 20 0 FBADRP O=C([C@H]1C[NH+]2CC3CC2(C3)CO1)N1CCO[C@@H]2C[N@@H+](CCCO)C[C@@H]21 ZINC001083148896 838957077 /nfs/dbraw/zinc/95/70/77/838957077.db2.gz MHPBTTUPBKTZCS-HNCZQISISA-N 2 0 351.447 -0.856 20 0 FBADRP O=C([C@@H]1C[NH+]2CC3CC2(C3)CO1)N1CCO[C@@H]2C[N@@H+](CCCO)C[C@@H]21 ZINC001083148897 838957296 /nfs/dbraw/zinc/95/72/96/838957296.db2.gz MHPBTTUPBKTZCS-SYGRHNPNSA-N 2 0 351.447 -0.856 20 0 FBADRP C[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@@H+]([C@H]4CCCNC4=O)C[C@@H]32)CC1 ZINC001083182820 838970784 /nfs/dbraw/zinc/97/07/84/838970784.db2.gz YYHMJGQNCGHXKP-HRCADAONSA-N 2 0 350.463 -0.482 20 0 FBADRP C[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@@H+]([C@@H]4CCCNC4=O)C[C@@H]32)CC1 ZINC001083182821 838971467 /nfs/dbraw/zinc/97/14/67/838971467.db2.gz YYHMJGQNCGHXKP-OWCLPIDISA-N 2 0 350.463 -0.482 20 0 FBADRP C[NH+](C)CCn1cc(C(=O)N2CCO[C@@H]3C[N@H+](CCCO)C[C@@H]32)cn1 ZINC001083221098 679510778 /nfs/dbraw/zinc/51/07/78/679510778.db2.gz KKJDXJSNONUJPT-JKSUJKDBSA-N 2 0 351.451 -0.648 20 0 FBADRP C[C@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@H]2C1 ZINC001083221316 679510875 /nfs/dbraw/zinc/51/08/75/679510875.db2.gz VMYHAWHKVGRNSI-CWRNSKLLSA-N 2 0 351.451 -0.649 20 0 FBADRP C[C@@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@H]2C1 ZINC001083221317 679510837 /nfs/dbraw/zinc/51/08/37/679510837.db2.gz VMYHAWHKVGRNSI-VNQPRFMTSA-N 2 0 351.451 -0.649 20 0 FBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCO[C@@H]3CN(CC(=O)N4CCC4)C[C@@H]32)C1 ZINC001083247945 679515555 /nfs/dbraw/zinc/51/55/55/679515555.db2.gz LDKSXMFLDDLDTO-HRCADAONSA-N 2 0 350.463 -0.528 20 0 FBADRP C[N@@H+]1CC[C@H](CC(=O)N2CCO[C@@H]3CN(CC(=O)N4CCC4)C[C@@H]32)C1 ZINC001083247946 679515685 /nfs/dbraw/zinc/51/56/85/679515685.db2.gz LDKSXMFLDDLDTO-OWCLPIDISA-N 2 0 350.463 -0.528 20 0 FBADRP CN1CCC[C@H]([N@@H+]2C[C@H]3OCCN(C(=O)C[NH+]4CCCC4)[C@H]3C2)C1=O ZINC001083275467 679521064 /nfs/dbraw/zinc/52/10/64/679521064.db2.gz FSCBEJXZVJKYPA-HRCADAONSA-N 2 0 350.463 -0.385 20 0 FBADRP CN1CCC[C@@H]([N@@H+]2C[C@H]3OCCN(C(=O)C[NH+]4CCCC4)[C@H]3C2)C1=O ZINC001083275468 679521167 /nfs/dbraw/zinc/52/11/67/679521167.db2.gz FSCBEJXZVJKYPA-OWCLPIDISA-N 2 0 350.463 -0.385 20 0 FBADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2C[N@H+](CCCO)C[C@@H]2O)CC1 ZINC001083469658 679597829 /nfs/dbraw/zinc/59/78/29/679597829.db2.gz CMZLWAZXHDWUEO-NCOADZHNSA-N 2 0 355.479 -0.723 20 0 FBADRP COCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083469852 679597791 /nfs/dbraw/zinc/59/77/91/679597791.db2.gz NJVYJMOJBILUAM-NCOADZHNSA-N 2 0 355.479 -0.459 20 0 FBADRP CC[C@H](C[N@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1)OC ZINC001083470228 679597886 /nfs/dbraw/zinc/59/78/86/679597886.db2.gz GMEHKLAHCHMRBE-BMFZPTHFSA-N 2 0 353.467 -0.355 20 0 FBADRP CC[C@@H](C[N@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1)OC ZINC001083470229 679597802 /nfs/dbraw/zinc/59/78/02/679597802.db2.gz GMEHKLAHCHMRBE-IMJJTQAJSA-N 2 0 353.467 -0.355 20 0 FBADRP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCOC3)C[C@@H]2O)n1 ZINC001083470268 679597717 /nfs/dbraw/zinc/59/77/17/679597717.db2.gz IFFZCEWADPMGLS-BMFZPTHFSA-N 2 0 351.451 -0.744 20 0 FBADRP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCOC3)C[C@@H]2O)n1 ZINC001083470269 679597814 /nfs/dbraw/zinc/59/78/14/679597814.db2.gz IFFZCEWADPMGLS-IMJJTQAJSA-N 2 0 351.451 -0.744 20 0 FBADRP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCCN3CCCC3=O)C[C@@H]2O)CC[N@@H+]1C ZINC001083472024 679599996 /nfs/dbraw/zinc/59/99/96/679599996.db2.gz BNBZNNYTJNDHBB-FPCVCCKLSA-N 2 0 352.479 -0.500 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(CCN3CCCC3=O)C[C@@H]2O)CC[N@@H+]1C ZINC001083474183 679600674 /nfs/dbraw/zinc/60/06/74/679600674.db2.gz RWMAWTZEUAVFGA-JJXSEGSLSA-N 2 0 352.479 -0.500 20 0 FBADRP C[NH+](C)Cc1ccsc1C(=O)N[C@@H]1CN(CCn2cncn2)C[C@@H]1O ZINC001083500904 679607024 /nfs/dbraw/zinc/60/70/24/679607024.db2.gz NGXSZVHWHZLLOY-KGLIPLIRSA-N 2 0 364.475 -0.124 20 0 FBADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CN(CC(=O)N2CCC2)C[C@@H]1O ZINC001083524227 679616576 /nfs/dbraw/zinc/61/65/76/679616576.db2.gz MUUZKCUIBHMNHA-OAGGEKHMSA-N 2 0 352.479 -0.357 20 0 FBADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1CN(CC(=O)N2CCC2)C[C@@H]1O ZINC001083524228 679616645 /nfs/dbraw/zinc/61/66/45/679616645.db2.gz MUUZKCUIBHMNHA-XHSDSOJGSA-N 2 0 352.479 -0.357 20 0 FBADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CN(CC(=O)NC2CC2)C[C@@H]1O ZINC001083524242 679616865 /nfs/dbraw/zinc/61/68/65/679616865.db2.gz NOMTUOSOANNDRK-OAGGEKHMSA-N 2 0 352.479 -0.311 20 0 FBADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1CN(CC(=O)NC2CC2)C[C@@H]1O ZINC001083524243 679616827 /nfs/dbraw/zinc/61/68/27/679616827.db2.gz NOMTUOSOANNDRK-XHSDSOJGSA-N 2 0 352.479 -0.311 20 0 FBADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(CCn2cncn2)C[C@@H]1O ZINC001083594075 836802391 /nfs/dbraw/zinc/80/23/91/836802391.db2.gz KZBUDFSZGTTYCK-OAGGEKHMSA-N 2 0 350.467 -0.440 20 0 FBADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CCn2cncn2)C[C@@H]1O ZINC001083594076 836803110 /nfs/dbraw/zinc/80/31/10/836803110.db2.gz KZBUDFSZGTTYCK-PMPSAXMXSA-N 2 0 350.467 -0.440 20 0 FBADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2CN(CCN3CCCC3=O)C[C@@H]2O)CC[N@@H+]1C ZINC001083728258 837062041 /nfs/dbraw/zinc/06/20/41/837062041.db2.gz NAIALOKOZMTZMJ-JONQDZQNSA-N 2 0 352.479 -0.500 20 0 FBADRP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCNC(=O)CC3)C[C@@H]2O)CC1 ZINC001083749927 837133148 /nfs/dbraw/zinc/13/31/48/837133148.db2.gz XJOHYUUEKARWDU-BMFZPTHFSA-N 2 0 352.479 -0.594 20 0 FBADRP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCNC(=O)CC3)C[C@@H]2O)CC1 ZINC001083749928 837133381 /nfs/dbraw/zinc/13/33/81/837133381.db2.gz XJOHYUUEKARWDU-IMJJTQAJSA-N 2 0 352.479 -0.594 20 0 FBADRP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCCN3CCCC3=O)C[C@@H]2O)CC1 ZINC001083750068 837133559 /nfs/dbraw/zinc/13/35/59/837133559.db2.gz DTKLMHZUQDAXBR-CVEARBPZSA-N 2 0 352.479 -0.498 20 0 FBADRP Cc1csc(=O)n1CCN1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083750206 837133475 /nfs/dbraw/zinc/13/34/75/837133475.db2.gz KEXKPTRPMHPPQM-CABCVRRESA-N 2 0 368.503 -0.279 20 0 FBADRP Cc1nc(C)n(CCN2C[C@@H](NC(=O)C[N@H+]3CCC[C@@H]3C)[C@@H](O)C2)n1 ZINC001083778442 837205776 /nfs/dbraw/zinc/20/57/76/837205776.db2.gz MYVUQSGPEXROSK-MAZHCROVSA-N 2 0 350.467 -0.459 20 0 FBADRP Cc1nc(C)n(CCN2C[C@@H](NC(=O)C[N@H+]3CCC[C@H]3C)[C@@H](O)C2)n1 ZINC001083778443 837205536 /nfs/dbraw/zinc/20/55/36/837205536.db2.gz MYVUQSGPEXROSK-WQVCFCJDSA-N 2 0 350.467 -0.459 20 0 FBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CN(CCCN2CCCC2=O)C[C@@H]1O ZINC001083779439 837210377 /nfs/dbraw/zinc/21/03/77/837210377.db2.gz BPFOYBAFYJXKDB-OAGGEKHMSA-N 2 0 352.479 -0.356 20 0 FBADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CN(CCCN2CCCC2=O)C[C@@H]1O ZINC001083779440 837209729 /nfs/dbraw/zinc/20/97/29/837209729.db2.gz BPFOYBAFYJXKDB-XHSDSOJGSA-N 2 0 352.479 -0.356 20 0 FBADRP C[NH+]1CCC(CC(=O)N[C@@H]2CN(CC(=O)N3CCCC3)C[C@@H]2O)CC1 ZINC001083833219 837593961 /nfs/dbraw/zinc/59/39/61/837593961.db2.gz PDUWGPSKSDEXFK-CVEARBPZSA-N 2 0 352.479 -0.498 20 0 FBADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(CCn2cncn2)C[C@@H]1O ZINC001083833268 837594189 /nfs/dbraw/zinc/59/41/89/837594189.db2.gz RQWXSEGAEYHPLF-OAGGEKHMSA-N 2 0 350.467 -0.298 20 0 FBADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(CCn2cncn2)C[C@@H]1O ZINC001083833269 837593692 /nfs/dbraw/zinc/59/36/92/837593692.db2.gz RQWXSEGAEYHPLF-PMPSAXMXSA-N 2 0 350.467 -0.298 20 0 FBADRP CCN1CC[C@@H](N2C[C@@H](NC(=O)CC3CC[NH+](C)CC3)[C@@H](O)C2)C1=O ZINC001083833349 837594136 /nfs/dbraw/zinc/59/41/36/837594136.db2.gz WRRWQJHHCWJXPF-OAGGEKHMSA-N 2 0 352.479 -0.500 20 0 FBADRP CCN1CC[C@H](N2C[C@@H](NC(=O)CC3CC[NH+](C)CC3)[C@@H](O)C2)C1=O ZINC001083833350 837593583 /nfs/dbraw/zinc/59/35/83/837593583.db2.gz WRRWQJHHCWJXPF-PMPSAXMXSA-N 2 0 352.479 -0.500 20 0 FBADRP C[NH+]1CCC(CC(=O)N[C@@H]2CN(CCN3CCCC3=O)C[C@@H]2O)CC1 ZINC001083833378 837593986 /nfs/dbraw/zinc/59/39/86/837593986.db2.gz XOSKEWQIMUUOEJ-CVEARBPZSA-N 2 0 352.479 -0.498 20 0 FBADRP CN1CCC[C@@H](N2C[C@@H](NC(=O)CC3CC[NH+](C)CC3)[C@@H](O)C2)C1=O ZINC001083833515 837593939 /nfs/dbraw/zinc/59/39/39/837593939.db2.gz GKZNZQOIEDMUBN-OAGGEKHMSA-N 2 0 352.479 -0.500 20 0 FBADRP CN1CCC[C@H](N2C[C@@H](NC(=O)CC3CC[NH+](C)CC3)[C@@H](O)C2)C1=O ZINC001083833516 837593525 /nfs/dbraw/zinc/59/35/25/837593525.db2.gz GKZNZQOIEDMUBN-PMPSAXMXSA-N 2 0 352.479 -0.500 20 0 FBADRP CC[C@H](C[N@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1)OC ZINC001083851304 837683128 /nfs/dbraw/zinc/68/31/28/837683128.db2.gz YLEYMKGLLFPDDR-OAGGEKHMSA-N 2 0 353.467 -0.355 20 0 FBADRP CC[C@@H](C[N@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1)OC ZINC001083851305 837683310 /nfs/dbraw/zinc/68/33/10/837683310.db2.gz YLEYMKGLLFPDDR-XHSDSOJGSA-N 2 0 353.467 -0.355 20 0 FBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CCCN3CCCC3=O)C[C@@H]2O)C1 ZINC001083955067 838981348 /nfs/dbraw/zinc/98/13/48/838981348.db2.gz VHKTZMIEXIGYRB-OAGGEKHMSA-N 2 0 352.479 -0.498 20 0 FBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CCCN3CCCC3=O)C[C@@H]2O)C1 ZINC001083955068 838980800 /nfs/dbraw/zinc/98/08/00/838980800.db2.gz VHKTZMIEXIGYRB-XHSDSOJGSA-N 2 0 352.479 -0.498 20 0 FBADRP O=C(N[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083958093 838985652 /nfs/dbraw/zinc/98/56/52/838985652.db2.gz YXWSUCSUYIZZGR-CABCVRRESA-N 2 0 350.463 -0.744 20 0 FBADRP O=C(N[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083959123 838987191 /nfs/dbraw/zinc/98/71/91/838987191.db2.gz HDJHRIVRUTVRQK-KFWWJZLASA-N 2 0 350.463 -0.840 20 0 FBADRP O=C(N[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083959124 838987011 /nfs/dbraw/zinc/98/70/11/838987011.db2.gz HDJHRIVRUTVRQK-ZNMIVQPWSA-N 2 0 350.463 -0.840 20 0 FBADRP CN1CCO[C@H](C(=O)N2CC[C@H]3CCN(CC(=O)NC4CC4)[C@H]3C2)C1 ZINC001084910835 839119365 /nfs/dbraw/zinc/11/93/65/839119365.db2.gz DFGINGNSUWOMOP-KBMXLJTQSA-N 2 0 350.463 -0.482 20 0 FBADRP CN1CCO[C@@H](C(=O)N2CC[C@H]3CCN(CC(=O)NC4CC4)[C@H]3C2)C1 ZINC001084910836 839120017 /nfs/dbraw/zinc/12/00/17/839120017.db2.gz DFGINGNSUWOMOP-VNQPRFMTSA-N 2 0 350.463 -0.482 20 0 FBADRP CN1CCO[C@@H](C(=O)N2CC[C@H]3CC[N@H+](CC(=O)N4CCC4)[C@H]3C2)C1 ZINC001084911273 839119839 /nfs/dbraw/zinc/11/98/39/839119839.db2.gz ULUJHLCPXOGQSX-OWCLPIDISA-N 2 0 350.463 -0.528 20 0 FBADRP CN1CCO[C@H](C(=O)N2CC[C@H]3CC[N@H+](CC(=O)N4CCC4)[C@H]3C2)C1 ZINC001084911274 839119622 /nfs/dbraw/zinc/11/96/22/839119622.db2.gz ULUJHLCPXOGQSX-PMPSAXMXSA-N 2 0 350.463 -0.528 20 0 FBADRP C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@H]3CCN(CCS(C)(=O)=O)[C@H]3C2)O1 ZINC001084970104 839126020 /nfs/dbraw/zinc/12/60/20/839126020.db2.gz OJGCRLZINUUTCL-LVQVYYBASA-N 2 0 373.519 -0.327 20 0 FBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001085152314 839143780 /nfs/dbraw/zinc/14/37/80/839143780.db2.gz AHCOKLVHLLSPFZ-MCIONIFRSA-N 2 0 351.451 -0.351 20 0 FBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001085152315 839144295 /nfs/dbraw/zinc/14/42/95/839144295.db2.gz AHCOKLVHLLSPFZ-MGPQQGTHSA-N 2 0 351.451 -0.351 20 0 FBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001085152616 839144325 /nfs/dbraw/zinc/14/43/25/839144325.db2.gz KWNPDECNSCQXRI-BZUAXINKSA-N 2 0 352.479 -0.044 20 0 FBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001085152617 839144354 /nfs/dbraw/zinc/14/43/54/839144354.db2.gz KWNPDECNSCQXRI-OAGGEKHMSA-N 2 0 352.479 -0.044 20 0 FBADRP CN1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCCC2)C1 ZINC001085158904 839143983 /nfs/dbraw/zinc/14/39/83/839143983.db2.gz AQSACJWDIKXDQF-BZUAXINKSA-N 2 0 352.479 -0.044 20 0 FBADRP CN1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCCC2)C1 ZINC001085158905 839144100 /nfs/dbraw/zinc/14/41/00/839144100.db2.gz AQSACJWDIKXDQF-OAGGEKHMSA-N 2 0 352.479 -0.044 20 0 FBADRP CN1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2CCCC2=O)C1 ZINC001085158908 839144155 /nfs/dbraw/zinc/14/41/55/839144155.db2.gz AXHAUPYNFYPGHC-BZUAXINKSA-N 2 0 352.479 -0.044 20 0 FBADRP CN1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2CCCC2=O)C1 ZINC001085158909 839144344 /nfs/dbraw/zinc/14/43/44/839144344.db2.gz AXHAUPYNFYPGHC-OAGGEKHMSA-N 2 0 352.479 -0.044 20 0 FBADRP CN1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2CCNC2=O)C1 ZINC001085159335 839144061 /nfs/dbraw/zinc/14/40/61/839144061.db2.gz PVCBCVVQVIXNFH-KFWWJZLASA-N 2 0 353.467 -0.641 20 0 FBADRP CN1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2CCNC2=O)C1 ZINC001085159336 839143821 /nfs/dbraw/zinc/14/38/21/839143821.db2.gz PVCBCVVQVIXNFH-RBSFLKMASA-N 2 0 353.467 -0.641 20 0 FBADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1)C(N)=O ZINC001085203124 839174201 /nfs/dbraw/zinc/17/42/01/839174201.db2.gz QGXCJHPAKCWLFO-BFHYXJOUSA-N 2 0 350.467 -0.051 20 0 FBADRP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1)C(N)=O ZINC001085203125 839174337 /nfs/dbraw/zinc/17/43/37/839174337.db2.gz QGXCJHPAKCWLFO-MGPQQGTHSA-N 2 0 350.467 -0.051 20 0 FBADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nc(=O)n(C)[nH]2)CC[N@@H+]1C ZINC001085203886 839174558 /nfs/dbraw/zinc/17/45/58/839174558.db2.gz IFTXOKUMAXNPMF-AAVRWANBSA-N 2 0 350.467 -0.034 20 0 FBADRP C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCC2)O1 ZINC001085242435 839177894 /nfs/dbraw/zinc/17/78/94/839177894.db2.gz RAWFKIJTAMWBFA-KLHDSHLOSA-N 2 0 352.479 -0.045 20 0 FBADRP C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2nnnn2C)O1 ZINC001085242565 839177960 /nfs/dbraw/zinc/17/79/60/839177960.db2.gz XKOMOOWCTXJSES-AAVRWANBSA-N 2 0 351.455 -0.554 20 0 FBADRP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1)C(N)=O ZINC001085359714 839186241 /nfs/dbraw/zinc/18/62/41/839186241.db2.gz WNKUMIMJZLAMRT-BPLDGKMQSA-N 2 0 350.467 -0.051 20 0 FBADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1)C(N)=O ZINC001085359715 839186646 /nfs/dbraw/zinc/18/66/46/839186646.db2.gz WNKUMIMJZLAMRT-NWANDNLSSA-N 2 0 350.467 -0.051 20 0 FBADRP Cn1[nH]c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C[C@@H]2CC[N@H+](C)C2)nc1=O ZINC001085394153 839189466 /nfs/dbraw/zinc/18/94/66/839189466.db2.gz XGMQZBHJRYUCJJ-BFHYXJOUSA-N 2 0 350.467 -0.033 20 0 FBADRP Cn1[nH]c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C[C@H]2CC[N@H+](C)C2)nc1=O ZINC001085394154 839189389 /nfs/dbraw/zinc/18/93/89/839189389.db2.gz XGMQZBHJRYUCJJ-MGPQQGTHSA-N 2 0 350.467 -0.033 20 0 FBADRP O=C(C[NH+]1CCCC1)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001085421409 839195152 /nfs/dbraw/zinc/19/51/52/839195152.db2.gz CSHKTDFJIWFZQA-ZIAGYGMSSA-N 2 0 351.451 -0.349 20 0 FBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCOCC2)C1 ZINC001085422575 839194929 /nfs/dbraw/zinc/19/49/29/839194929.db2.gz XWQMYHCKJPEKTQ-ARFHVFGLSA-N 2 0 352.479 -0.186 20 0 FBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCOCC2)C1 ZINC001085422576 839195041 /nfs/dbraw/zinc/19/50/41/839195041.db2.gz XWQMYHCKJPEKTQ-BZUAXINKSA-N 2 0 352.479 -0.186 20 0 FBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001085423134 839194900 /nfs/dbraw/zinc/19/49/00/839194900.db2.gz YMWIYWPDVMJKTN-BFHYXJOUSA-N 2 0 351.451 -0.493 20 0 FBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001085423135 839195013 /nfs/dbraw/zinc/19/50/13/839195013.db2.gz YMWIYWPDVMJKTN-MGPQQGTHSA-N 2 0 351.451 -0.493 20 0 FBADRP O=C(C[NH+]1CCCC1)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001085423378 839194630 /nfs/dbraw/zinc/19/46/30/839194630.db2.gz MUZYQROCCKTQGX-HZPDHXFCSA-N 2 0 352.479 -0.042 20 0 FBADRP O=C(Cn1ccnc1)N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCCS1(=O)=O ZINC001085438448 839199830 /nfs/dbraw/zinc/19/98/30/839199830.db2.gz OGPZDJMLUBXYGA-HUUCEWRRSA-N 2 0 369.491 -0.064 20 0 FBADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)CC1 ZINC001086088546 839230364 /nfs/dbraw/zinc/23/03/64/839230364.db2.gz CJTXOUDWDNXCBP-JWDQPFGJSA-N 2 0 352.479 -0.297 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)CC[N@@H+]1C ZINC001086089704 839230536 /nfs/dbraw/zinc/23/05/36/839230536.db2.gz LUYFXXMIAMCSCR-RFQIPJPRSA-N 2 0 350.467 -0.177 20 0 FBADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)CC[N@@H+]1C ZINC001086090595 839230246 /nfs/dbraw/zinc/23/02/46/839230246.db2.gz HLGGEFQQDHVBFM-YIYPIFLZSA-N 2 0 351.451 -0.637 20 0 FBADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCN3C(=O)CCC3=O)C2)CC[N@@H+]1C ZINC001086091049 839230615 /nfs/dbraw/zinc/23/06/15/839230615.db2.gz GCPPJRWKQCDGFV-APIJFGDWSA-N 2 0 350.463 -0.040 20 0 FBADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC(=O)N3CCOCC3)C2)CC[N@@H+]1C ZINC001086091052 839230509 /nfs/dbraw/zinc/23/05/09/839230509.db2.gz GGYBOGUWJDDRMJ-LVQVYYBASA-N 2 0 352.479 -0.330 20 0 FBADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC[C@H]2C[C@H]([NH2+]CC(N)=O)C2)CC1 ZINC001086368890 839241425 /nfs/dbraw/zinc/24/14/25/839241425.db2.gz CJTXOUDWDNXCBP-MMTVNHQJSA-N 2 0 352.479 -0.297 20 0 FBADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCN3C(=O)CCC3=O)C2)CC[N@@H+]1C ZINC001086369896 839241622 /nfs/dbraw/zinc/24/16/22/839241622.db2.gz GCPPJRWKQCDGFV-KBUPBQIOSA-N 2 0 350.463 -0.040 20 0 FBADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCN3C(=O)CNC3=O)C2)CC[N@@H+]1C ZINC001086369922 839242870 /nfs/dbraw/zinc/24/28/70/839242870.db2.gz HLGGEFQQDHVBFM-AAVRWANBSA-N 2 0 351.451 -0.637 20 0 FBADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC(=O)N3CCOCC3)C2)CC[N@@H+]1C ZINC001086370920 839242468 /nfs/dbraw/zinc/24/24/68/839242468.db2.gz GGYBOGUWJDDRMJ-KLHDSHLOSA-N 2 0 352.479 -0.330 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)CC[N@@H+]1C ZINC001086371017 839242899 /nfs/dbraw/zinc/24/28/99/839242899.db2.gz LUYFXXMIAMCSCR-XDQVBPFNSA-N 2 0 350.467 -0.177 20 0 FBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001086659011 839672957 /nfs/dbraw/zinc/67/29/57/839672957.db2.gz HPQFEMMQOUISEC-ARFHVFGLSA-N 2 0 352.479 -0.186 20 0 FBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001086659012 839673231 /nfs/dbraw/zinc/67/32/31/839673231.db2.gz HPQFEMMQOUISEC-XHSDSOJGSA-N 2 0 352.479 -0.186 20 0 FBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001086659604 839673274 /nfs/dbraw/zinc/67/32/74/839673274.db2.gz CXLMPYFQJSGQBL-BFHYXJOUSA-N 2 0 351.451 -0.493 20 0 FBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001086659605 839673019 /nfs/dbraw/zinc/67/30/19/839673019.db2.gz CXLMPYFQJSGQBL-MJBXVCDLSA-N 2 0 351.451 -0.493 20 0 FBADRP C[C@@H]([NH2+][C@@H]1CC[C@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1)C(N)=O ZINC001086699001 839707432 /nfs/dbraw/zinc/70/74/32/839707432.db2.gz MYDROZNJQJXXGC-HZSPNIEDSA-N 2 0 350.467 -0.193 20 0 FBADRP C[C@H]([NH2+][C@@H]1CC[C@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1)C(N)=O ZINC001086699002 839706926 /nfs/dbraw/zinc/70/69/26/839706926.db2.gz MYDROZNJQJXXGC-MELADBBJSA-N 2 0 350.467 -0.193 20 0 FBADRP NC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001086717119 839728025 /nfs/dbraw/zinc/72/80/25/839728025.db2.gz ICIOUQWBKNAKPT-LZWOXQAQSA-N 2 0 352.479 -0.010 20 0 FBADRP NC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001086717120 839728567 /nfs/dbraw/zinc/72/85/67/839728567.db2.gz ICIOUQWBKNAKPT-SQWLQELKSA-N 2 0 352.479 -0.010 20 0 FBADRP C[C@@H]1CN(C)C[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cn(C)nn3)C2)O1 ZINC001086731215 839738324 /nfs/dbraw/zinc/73/83/24/839738324.db2.gz BRDROFRZBSXOGT-HLPPOEQASA-N 2 0 350.467 -0.091 20 0 FBADRP C[C@@H]1CN(C)C[C@H](C(=O)NC[C@H]2CC[C@@H](NCc3nnn(C)n3)C2)O1 ZINC001086731887 839739651 /nfs/dbraw/zinc/73/96/51/839739651.db2.gz IARMJFONOMTSRT-XJFOESAGSA-N 2 0 351.455 -0.696 20 0 FBADRP Cn1[nH]c(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CCCC[N@@H+]3C)C2)nc1=O ZINC001086734409 839740359 /nfs/dbraw/zinc/74/03/59/839740359.db2.gz GDKSVBOBHJOCAO-BFHYXJOUSA-N 2 0 350.467 -0.033 20 0 FBADRP Cn1[nH]c(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CCCC[N@@H+]3C)C2)nc1=O ZINC001086734410 839740396 /nfs/dbraw/zinc/74/03/96/839740396.db2.gz GDKSVBOBHJOCAO-MJBXVCDLSA-N 2 0 350.467 -0.033 20 0 FBADRP NC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2COCCN2CC2CCC2)C1 ZINC001086767501 839745488 /nfs/dbraw/zinc/74/54/88/839745488.db2.gz OFISLQFPOZCWHS-ARFHVFGLSA-N 2 0 352.479 -0.153 20 0 FBADRP NC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2COCCN2CC2CCC2)C1 ZINC001086767502 839745137 /nfs/dbraw/zinc/74/51/37/839745137.db2.gz OFISLQFPOZCWHS-XHSDSOJGSA-N 2 0 352.479 -0.153 20 0 FBADRP Cn1[nH]c(C[NH2+][C@@H]2CC[C@H](CNC(=O)C3CC[NH+](C)CC3)C2)nc1=O ZINC001086792715 839748395 /nfs/dbraw/zinc/74/83/95/839748395.db2.gz GVBBCHKTFAXLLN-GXTWGEPZSA-N 2 0 350.467 -0.175 20 0 FBADRP C[C@H]([NH2+][C@@H]1CC[C@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1)C(N)=O ZINC001086825652 839755958 /nfs/dbraw/zinc/75/59/58/839755958.db2.gz WUBNZGAKXYOLMX-KCQAQPDRSA-N 2 0 350.467 -0.193 20 0 FBADRP C[C@@H]([NH2+][C@@H]1CC[C@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1)C(N)=O ZINC001086825653 839755809 /nfs/dbraw/zinc/75/58/09/839755809.db2.gz WUBNZGAKXYOLMX-VNHYZAJKSA-N 2 0 350.467 -0.193 20 0 FBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)C1 ZINC001086875105 839965888 /nfs/dbraw/zinc/96/58/88/839965888.db2.gz FYDFLRCVGMINEC-BFHYXJOUSA-N 2 0 351.451 -0.636 20 0 FBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)C1 ZINC001086875106 839965391 /nfs/dbraw/zinc/96/53/91/839965391.db2.gz FYDFLRCVGMINEC-MELADBBJSA-N 2 0 351.451 -0.636 20 0 FBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N3CCOCC3)C2)C1 ZINC001086875181 839966060 /nfs/dbraw/zinc/96/60/60/839966060.db2.gz JGRFZZRKLXEUNR-ARFHVFGLSA-N 2 0 352.479 -0.329 20 0 FBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N3CCOCC3)C2)C1 ZINC001086875182 839965797 /nfs/dbraw/zinc/96/57/97/839965797.db2.gz JGRFZZRKLXEUNR-HRCADAONSA-N 2 0 352.479 -0.329 20 0 FBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCN3C(=O)CCC3=O)C2)C1 ZINC001086875974 839966076 /nfs/dbraw/zinc/96/60/76/839966076.db2.gz SCMKPDOZDGEHCG-RRFJBIMHSA-N 2 0 350.463 -0.038 20 0 FBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCN3C(=O)CCC3=O)C2)C1 ZINC001086875975 839965827 /nfs/dbraw/zinc/96/58/27/839965827.db2.gz SCMKPDOZDGEHCG-SOUVJXGZSA-N 2 0 350.463 -0.038 20 0 FBADRP CC(C)[C@@H](C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CC(N)=O)C1)[NH+](C)C ZINC001086983354 839968463 /nfs/dbraw/zinc/96/84/63/839968463.db2.gz KIMAKJCCVUPUSV-LZWOXQAQSA-N 2 0 350.467 -0.624 20 0 FBADRP CC(C)[C@H](C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CC(N)=O)C1)[NH+](C)C ZINC001086995574 839972567 /nfs/dbraw/zinc/97/25/67/839972567.db2.gz KIMAKJCCVUPUSV-SQWLQELKSA-N 2 0 350.467 -0.624 20 0 FBADRP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001087034871 839976920 /nfs/dbraw/zinc/97/69/20/839976920.db2.gz AIMMUGPJRADITO-FVQBIDKESA-N 2 0 350.467 -0.138 20 0 FBADRP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001087034872 839977314 /nfs/dbraw/zinc/97/73/14/839977314.db2.gz AIMMUGPJRADITO-VNQPRFMTSA-N 2 0 350.467 -0.138 20 0 FBADRP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1ncnn1C ZINC001087034972 839977734 /nfs/dbraw/zinc/97/77/34/839977734.db2.gz GIGCSTKEQUFWGN-QLFBSQMISA-N 2 0 350.467 -0.138 20 0 FBADRP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1ncnn1C ZINC001087034973 839977370 /nfs/dbraw/zinc/97/73/70/839977370.db2.gz GIGCSTKEQUFWGN-RBSFLKMASA-N 2 0 350.467 -0.138 20 0 FBADRP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC001087035115 839977238 /nfs/dbraw/zinc/97/72/38/839977238.db2.gz MHNGWXZWIXVWDR-FVQBIDKESA-N 2 0 350.467 -0.138 20 0 FBADRP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC001087035116 839977512 /nfs/dbraw/zinc/97/75/12/839977512.db2.gz MHNGWXZWIXVWDR-VNQPRFMTSA-N 2 0 350.467 -0.138 20 0 FBADRP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC001087035211 839977290 /nfs/dbraw/zinc/97/72/90/839977290.db2.gz QGBGJDVBAUONMJ-FVQBIDKESA-N 2 0 350.467 -0.138 20 0 FBADRP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC001087035212 839977623 /nfs/dbraw/zinc/97/76/23/839977623.db2.gz QGBGJDVBAUONMJ-VNQPRFMTSA-N 2 0 350.467 -0.138 20 0 FBADRP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1nncn1C ZINC001087035356 839977217 /nfs/dbraw/zinc/97/72/17/839977217.db2.gz XPJFYXOCHJTCNL-QLFBSQMISA-N 2 0 350.467 -0.138 20 0 FBADRP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1nncn1C ZINC001087035357 839977160 /nfs/dbraw/zinc/97/71/60/839977160.db2.gz XPJFYXOCHJTCNL-RBSFLKMASA-N 2 0 350.467 -0.138 20 0 FBADRP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001087035386 839977691 /nfs/dbraw/zinc/97/76/91/839977691.db2.gz ZATQGOQWAXNLBX-HZSPNIEDSA-N 2 0 351.455 -0.743 20 0 FBADRP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001087035387 839977437 /nfs/dbraw/zinc/97/74/37/839977437.db2.gz ZATQGOQWAXNLBX-MGPQQGTHSA-N 2 0 351.455 -0.743 20 0 FBADRP CCO[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C[NH2+][C@H]1CCNC1=O ZINC001087059606 839982861 /nfs/dbraw/zinc/98/28/61/839982861.db2.gz MATCALSKKXYXJW-QLFBSQMISA-N 2 0 352.479 -0.188 20 0 FBADRP CCO[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC001087059607 839983943 /nfs/dbraw/zinc/98/39/43/839983943.db2.gz MATCALSKKXYXJW-RBSFLKMASA-N 2 0 352.479 -0.188 20 0 FBADRP CCO[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC001087059610 839983579 /nfs/dbraw/zinc/98/35/79/839983579.db2.gz MCIIVGVVZFEZDL-FVQBIDKESA-N 2 0 352.479 -0.188 20 0 FBADRP CCO[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C[NH2+][C@H]1CCNC1=O ZINC001087059611 839984175 /nfs/dbraw/zinc/98/41/75/839984175.db2.gz MCIIVGVVZFEZDL-VNQPRFMTSA-N 2 0 352.479 -0.188 20 0 FBADRP CCO[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001087062303 839983591 /nfs/dbraw/zinc/98/35/91/839983591.db2.gz ABWCDHONLVAVHR-MGPQQGTHSA-N 2 0 353.471 -0.497 20 0 FBADRP CCO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC001087079926 839994358 /nfs/dbraw/zinc/99/43/58/839994358.db2.gz NIWYTAYWORXZAJ-BZUAXINKSA-N 2 0 352.479 -0.330 20 0 FBADRP CCO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C[NH2+][C@H]1CCNC1=O ZINC001087079927 839993695 /nfs/dbraw/zinc/99/36/95/839993695.db2.gz NIWYTAYWORXZAJ-OWCLPIDISA-N 2 0 352.479 -0.330 20 0 FBADRP CCO[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001087084420 839990035 /nfs/dbraw/zinc/99/00/35/839990035.db2.gz ABWCDHONLVAVHR-HZSPNIEDSA-N 2 0 353.471 -0.497 20 0 FBADRP CCO[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+][C@H]1CCNC1=O ZINC001087096805 839995581 /nfs/dbraw/zinc/99/55/81/839995581.db2.gz FOJAKQVWRXSJMR-QLFBSQMISA-N 2 0 350.463 -0.576 20 0 FBADRP CCO[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC001087096806 839994979 /nfs/dbraw/zinc/99/49/79/839994979.db2.gz FOJAKQVWRXSJMR-RBSFLKMASA-N 2 0 350.463 -0.576 20 0 FBADRP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001087100024 839993660 /nfs/dbraw/zinc/99/36/60/839993660.db2.gz ABAUGWMAGRZETA-BFHYXJOUSA-N 2 0 351.455 -0.885 20 0 FBADRP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001087100025 839993240 /nfs/dbraw/zinc/99/32/40/839993240.db2.gz ABAUGWMAGRZETA-MGPQQGTHSA-N 2 0 351.455 -0.885 20 0 FBADRP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1nncn1C ZINC001087100401 839994162 /nfs/dbraw/zinc/99/41/62/839994162.db2.gz RLDPZXNAZWOYCG-RBSFLKMASA-N 2 0 350.467 -0.280 20 0 FBADRP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1nncn1C ZINC001087100402 839993577 /nfs/dbraw/zinc/99/35/77/839993577.db2.gz RLDPZXNAZWOYCG-RRFJBIMHSA-N 2 0 350.467 -0.280 20 0 FBADRP CCO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001087100724 839994006 /nfs/dbraw/zinc/99/40/06/839994006.db2.gz AZSBXPCNFUYUDS-GDBMZVCRSA-N 2 0 350.467 -0.136 20 0 FBADRP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC001087100738 839994049 /nfs/dbraw/zinc/99/40/49/839994049.db2.gz BIMAPJRGIKZZKQ-IIAWOOMASA-N 2 0 350.467 -0.280 20 0 FBADRP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC001087100739 839993349 /nfs/dbraw/zinc/99/33/49/839993349.db2.gz BIMAPJRGIKZZKQ-SQWLQELKSA-N 2 0 350.467 -0.280 20 0 FBADRP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC001087100782 839993531 /nfs/dbraw/zinc/99/35/31/839993531.db2.gz DJZJTQMVCUWRKJ-IIAWOOMASA-N 2 0 350.467 -0.280 20 0 FBADRP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC001087100783 839993897 /nfs/dbraw/zinc/99/38/97/839993897.db2.gz DJZJTQMVCUWRKJ-SQWLQELKSA-N 2 0 350.467 -0.280 20 0 FBADRP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001087100847 839994231 /nfs/dbraw/zinc/99/42/31/839994231.db2.gz HTOVMCISXNUQNW-IIAWOOMASA-N 2 0 350.467 -0.280 20 0 FBADRP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001087100848 839993561 /nfs/dbraw/zinc/99/35/61/839993561.db2.gz HTOVMCISXNUQNW-SQWLQELKSA-N 2 0 350.467 -0.280 20 0 FBADRP CCO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]Cc1nncn1C ZINC001087100937 839993869 /nfs/dbraw/zinc/99/38/69/839993869.db2.gz LQWKTKJRVNGCKG-HUUCEWRRSA-N 2 0 350.467 -0.136 20 0 FBADRP CCO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001087100982 839993319 /nfs/dbraw/zinc/99/33/19/839993319.db2.gz NYVYUXXIULIBOR-ZIAGYGMSSA-N 2 0 351.455 -0.741 20 0 FBADRP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1ncnn1C ZINC001087101018 839994329 /nfs/dbraw/zinc/99/43/29/839994329.db2.gz PQFKSVFOCYIPDY-RBSFLKMASA-N 2 0 350.467 -0.280 20 0 FBADRP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1ncnn1C ZINC001087101019 839994278 /nfs/dbraw/zinc/99/42/78/839994278.db2.gz PQFKSVFOCYIPDY-RRFJBIMHSA-N 2 0 350.467 -0.280 20 0 FBADRP CCO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]Cc1ncnn1C ZINC001087101033 839993191 /nfs/dbraw/zinc/99/31/91/839993191.db2.gz PWENOZDJZAWIBR-HUUCEWRRSA-N 2 0 350.467 -0.136 20 0 FBADRP CCO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+][C@@H]1CCCNC1=O ZINC001087101085 839994213 /nfs/dbraw/zinc/99/42/13/839994213.db2.gz SHEHPVYDWJUPIA-BZUAXINKSA-N 2 0 352.479 -0.186 20 0 FBADRP CCO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+][C@H]1CCCNC1=O ZINC001087101086 839994263 /nfs/dbraw/zinc/99/42/63/839994263.db2.gz SHEHPVYDWJUPIA-OWCLPIDISA-N 2 0 352.479 -0.186 20 0 FBADRP CCO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC001087101183 839993772 /nfs/dbraw/zinc/99/37/72/839993772.db2.gz XMKNERBCEVQNGT-GDBMZVCRSA-N 2 0 350.467 -0.136 20 0 FBADRP CCO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC001087101321 839995493 /nfs/dbraw/zinc/99/54/93/839995493.db2.gz FKQBRVHVBMFODB-GDBMZVCRSA-N 2 0 350.467 -0.136 20 0 FBADRP CCO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+][C@@H]1CCN(C)C1=O ZINC001087101642 839995690 /nfs/dbraw/zinc/99/56/90/839995690.db2.gz VAWPCDYNDVBFGQ-BZUAXINKSA-N 2 0 352.479 -0.234 20 0 FBADRP CCO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+][C@H]1CCN(C)C1=O ZINC001087101643 839995640 /nfs/dbraw/zinc/99/56/40/839995640.db2.gz VAWPCDYNDVBFGQ-OWCLPIDISA-N 2 0 352.479 -0.234 20 0 FBADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@@H+]1CCN1C(=O)CNC1=O ZINC001087522914 836248657 /nfs/dbraw/zinc/24/86/57/836248657.db2.gz BTKCGARPZLFCLN-BFHYXJOUSA-N 2 0 351.451 -0.399 20 0 FBADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@@H+]1CCN1C(=O)CNC1=O ZINC001087522915 836248381 /nfs/dbraw/zinc/24/83/81/836248381.db2.gz BTKCGARPZLFCLN-MJBXVCDLSA-N 2 0 351.451 -0.399 20 0 FBADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CCN1CC(=O)N1CCOCC1 ZINC001087523409 836249467 /nfs/dbraw/zinc/24/94/67/836249467.db2.gz VBOVBYXCQQTAHW-ARFHVFGLSA-N 2 0 352.479 -0.092 20 0 FBADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CCN1CC(=O)N1CCOCC1 ZINC001087523410 836249051 /nfs/dbraw/zinc/24/90/51/836249051.db2.gz VBOVBYXCQQTAHW-XHSDSOJGSA-N 2 0 352.479 -0.092 20 0 FBADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)CCO2)CC[N@@H+]1CCN1CCCC1=O ZINC001087530313 836252229 /nfs/dbraw/zinc/25/22/29/836252229.db2.gz VBOARRXHLSOFGF-ARFHVFGLSA-N 2 0 352.479 -0.092 20 0 FBADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CN(C)CCO2)CC[N@@H+]1CCN1CCCC1=O ZINC001087530314 836251477 /nfs/dbraw/zinc/25/14/77/836251477.db2.gz VBOARRXHLSOFGF-XHSDSOJGSA-N 2 0 352.479 -0.092 20 0 FBADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)CCN1CC(=O)NC1CC1 ZINC001087622225 836271802 /nfs/dbraw/zinc/27/18/02/836271802.db2.gz AEYZAKBNRUILGF-SLBVQIDZSA-N 2 0 352.479 -0.047 20 0 FBADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@@H+]1CCN1C(=O)CNC1=O ZINC001087828169 836292018 /nfs/dbraw/zinc/29/20/18/836292018.db2.gz CBFDLNXAWKDEIW-HZSPNIEDSA-N 2 0 351.451 -0.541 20 0 FBADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@@H+]1CCN1C(=O)CNC1=O ZINC001087828170 836291347 /nfs/dbraw/zinc/29/13/47/836291347.db2.gz CBFDLNXAWKDEIW-MELADBBJSA-N 2 0 351.451 -0.541 20 0 FBADRP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1CCN1C(=O)CNC1=O ZINC001087828902 836292143 /nfs/dbraw/zinc/29/21/43/836292143.db2.gz YVRRQCIMMRQIGS-UONOGXRCSA-N 2 0 351.451 -0.397 20 0 FBADRP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCN1CC(=O)N1CCOCC1 ZINC001087829633 836292455 /nfs/dbraw/zinc/29/24/55/836292455.db2.gz OJBCPRYZQWESTP-JKSUJKDBSA-N 2 0 352.479 -0.090 20 0 FBADRP CC[C@H](C(=O)N1C[C@H]2CCN(Cc3nc(=O)n(C)[nH]3)C[C@H]2C1)[NH+](C)C ZINC001088010763 836317569 /nfs/dbraw/zinc/31/75/69/836317569.db2.gz JGLHMUVIEZJHLN-HZSPNIEDSA-N 2 0 350.467 -0.271 20 0 FBADRP CC(C)(C[NH+]1CCOCC1)C(=O)N1C[C@@H]2C[N@@H+](CC(N)=O)CC[C@@H]2C1 ZINC001088012522 836318797 /nfs/dbraw/zinc/31/87/97/836318797.db2.gz OAZXLTZSLMXJIM-CABCVRRESA-N 2 0 352.479 -0.390 20 0 FBADRP CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C[C@@H]2C1 ZINC001088202298 836363677 /nfs/dbraw/zinc/36/36/77/836363677.db2.gz UIWQLDIOODPMKW-OAGGEKHMSA-N 2 0 352.479 -0.519 20 0 FBADRP CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C[C@@H]2C1 ZINC001088202299 836364389 /nfs/dbraw/zinc/36/43/89/836364389.db2.gz UIWQLDIOODPMKW-XHSDSOJGSA-N 2 0 352.479 -0.519 20 0 FBADRP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CCN1CC(=O)NC1CCOCC1 ZINC001088494392 836423648 /nfs/dbraw/zinc/42/36/48/836423648.db2.gz YDLOXIDWMUFCNA-KBMXLJTQSA-N 2 0 352.479 -0.045 20 0 FBADRP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CCN1CC(=O)NC1CCOCC1 ZINC001088494393 836423990 /nfs/dbraw/zinc/42/39/90/836423990.db2.gz YDLOXIDWMUFCNA-VNQPRFMTSA-N 2 0 352.479 -0.045 20 0 FBADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CCN3C(=O)CNC3=O)[C@@H]2C)CC[N@@H+]1C ZINC001088577270 836457471 /nfs/dbraw/zinc/45/74/71/836457471.db2.gz KBTABTQGNYTILC-SYQHCUMBSA-N 2 0 351.451 -0.543 20 0 FBADRP CNC(=O)CN1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)[C@H]1C ZINC001088619467 836491536 /nfs/dbraw/zinc/49/15/36/836491536.db2.gz NIHYYVDQMPWTKC-KBMXLJTQSA-N 2 0 352.479 -0.045 20 0 FBADRP CNC(=O)CN1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)[C@H]1C ZINC001088619468 836491833 /nfs/dbraw/zinc/49/18/33/836491833.db2.gz NIHYYVDQMPWTKC-VNQPRFMTSA-N 2 0 352.479 -0.045 20 0 FBADRP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@@H+]1C[C@H](O)CN1CCCC1=O ZINC001088794432 836533077 /nfs/dbraw/zinc/53/30/77/836533077.db2.gz DJFCNRCMVXDMMH-FXUDXRNXSA-N 2 0 352.479 -0.357 20 0 FBADRP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1CCN1C(=O)CNC1=O ZINC001088836455 836587096 /nfs/dbraw/zinc/58/70/96/836587096.db2.gz YOFUGGWFMQBLIA-OCCSQVGLSA-N 2 0 351.451 -0.541 20 0 FBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CCN(CC(=O)N2CCOCC2)[C@@H]1C ZINC001088857929 836911842 /nfs/dbraw/zinc/91/18/42/836911842.db2.gz JILYTXRXAUPYGM-OAGGEKHMSA-N 2 0 352.479 -0.092 20 0 FBADRP C[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CCN1CC(=O)N1CCOCC1 ZINC001088857930 836912006 /nfs/dbraw/zinc/91/20/06/836912006.db2.gz JILYTXRXAUPYGM-XHSDSOJGSA-N 2 0 352.479 -0.092 20 0 FBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CCN(CC(=O)N3CCOCC3)[C@@H]2C)C1 ZINC001088859417 836913429 /nfs/dbraw/zinc/91/34/29/836913429.db2.gz BJWUUUDCDAKXGB-OAGGEKHMSA-N 2 0 352.479 -0.234 20 0 FBADRP C[C@@H]1[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CCN1CC(=O)N1CCOCC1 ZINC001088859418 836912704 /nfs/dbraw/zinc/91/27/04/836912704.db2.gz BJWUUUDCDAKXGB-XHSDSOJGSA-N 2 0 352.479 -0.234 20 0 FBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CC[NH+](CCN3C(=O)CNC3=O)[C@@H]2C)C1 ZINC001088859905 836913025 /nfs/dbraw/zinc/91/30/25/836913025.db2.gz POOLHCFLSYQXCU-MCIONIFRSA-N 2 0 351.451 -0.541 20 0 FBADRP C[C@@H]1[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC[NH+]1CCN1C(=O)CNC1=O ZINC001088859906 836912755 /nfs/dbraw/zinc/91/27/55/836912755.db2.gz POOLHCFLSYQXCU-MJBXVCDLSA-N 2 0 351.451 -0.541 20 0 FBADRP C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CCN1CC(=O)N1CCOCC1 ZINC001088980843 836934635 /nfs/dbraw/zinc/93/46/35/836934635.db2.gz UMGNDSUDZHEECR-OAGGEKHMSA-N 2 0 352.479 -0.234 20 0 FBADRP C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CCN1CC(=O)N1CCOCC1 ZINC001088980844 836934732 /nfs/dbraw/zinc/93/47/32/836934732.db2.gz UMGNDSUDZHEECR-PMPSAXMXSA-N 2 0 352.479 -0.234 20 0 FBADRP C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC[N@@H+]1CCN1C(=O)CNC1=O ZINC001088981231 836935048 /nfs/dbraw/zinc/93/50/48/836935048.db2.gz JGNIMUVIUAXMAY-MCIONIFRSA-N 2 0 351.451 -0.541 20 0 FBADRP C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC[N@@H+]1CCN1C(=O)CNC1=O ZINC001088981232 836935163 /nfs/dbraw/zinc/93/51/63/836935163.db2.gz JGNIMUVIUAXMAY-RDBSUJKOSA-N 2 0 351.451 -0.541 20 0 FBADRP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1C[C@H](O)CN1CCCC1=O ZINC001089038115 836942685 /nfs/dbraw/zinc/94/26/85/836942685.db2.gz DUCWEMJVKNVWCZ-PMPSAXMXSA-N 2 0 352.479 -0.356 20 0 FBADRP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1CCCN1C(=O)CNC1=O ZINC001089038306 836942451 /nfs/dbraw/zinc/94/24/51/836942451.db2.gz NZKBNAJJWAYWKC-KGLIPLIRSA-N 2 0 351.451 -0.397 20 0 FBADRP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@@H+]1CCCN1C(=O)CNC1=O ZINC001089039166 836942097 /nfs/dbraw/zinc/94/20/97/836942097.db2.gz YMGPOKYCUMTIDP-MCIONIFRSA-N 2 0 351.451 -0.541 20 0 FBADRP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@@H+]1CCCN1C(=O)CNC1=O ZINC001089039167 836942514 /nfs/dbraw/zinc/94/25/14/836942514.db2.gz YMGPOKYCUMTIDP-RDBSUJKOSA-N 2 0 351.451 -0.541 20 0 FBADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CN(CC(N)=O)CC3(CCOCC3)C2)CC[N@@H+]1C ZINC001089941354 837369353 /nfs/dbraw/zinc/36/93/53/837369353.db2.gz HEVVSIBIRLGXNG-QLFBSQMISA-N 2 0 352.479 -0.201 20 0 FBADRP C[C@@H]1[C@H](C(=O)N[C@H]2CN(CC(N)=O)CC3(CCOCC3)C2)CC[N@@H+]1C ZINC001089941356 837369576 /nfs/dbraw/zinc/36/95/76/837369576.db2.gz HEVVSIBIRLGXNG-RBSFLKMASA-N 2 0 352.479 -0.201 20 0 FBADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCC2CC([NH2+]CC(N)=O)C2)CC1 ZINC001091033736 839833507 /nfs/dbraw/zinc/83/35/07/839833507.db2.gz CJTXOUDWDNXCBP-BDKZHOIZSA-N 2 0 352.479 -0.297 20 0 FBADRP C[C@@H]1[C@H](C(=O)NCC2CC([NH2+]CCN3C(=O)CCC3=O)C2)CC[N@@H+]1C ZINC001091037216 839833454 /nfs/dbraw/zinc/83/34/54/839833454.db2.gz GCPPJRWKQCDGFV-XSCHDIRWSA-N 2 0 350.463 -0.040 20 0 FBADRP C[C@@H]1[C@H](C(=O)NCC2CC([NH2+]CC(=O)N3CCOCC3)C2)CC[N@@H+]1C ZINC001091037221 839833189 /nfs/dbraw/zinc/83/31/89/839833189.db2.gz GGYBOGUWJDDRMJ-PRLABOORSA-N 2 0 352.479 -0.330 20 0 FBADRP C[C@@H]1[C@H](C(=O)NCC2CC([NH2+]CCN3C(=O)CNC3=O)C2)CC[N@@H+]1C ZINC001091037259 839833369 /nfs/dbraw/zinc/83/33/69/839833369.db2.gz HLGGEFQQDHVBFM-BLYZHGLHSA-N 2 0 351.451 -0.637 20 0 FBADRP CC(C)(C[NH+]1CCOCC1)C(=O)N1C[C@H]2C[N@H+](CC(N)=O)C[C@@]2(C)C1 ZINC001091784350 839997113 /nfs/dbraw/zinc/99/71/13/839997113.db2.gz XSFMUYNVXMXNPH-KDOFPFPSSA-N 2 0 352.479 -0.390 20 0 FBADRP CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001092144687 840020680 /nfs/dbraw/zinc/02/06/80/840020680.db2.gz ZAOJXSDKAMUGAV-KDOFPFPSSA-N 2 0 352.479 -0.377 20 0 FBADRP C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001092146194 840020227 /nfs/dbraw/zinc/02/02/27/840020227.db2.gz YYWMCBMRNSASLI-IYOUNJFTSA-N 2 0 352.479 -0.249 20 0 FBADRP C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001092146195 840020829 /nfs/dbraw/zinc/02/08/29/840020829.db2.gz YYWMCBMRNSASLI-LBTNJELSSA-N 2 0 352.479 -0.249 20 0 FBADRP CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001092276280 840022323 /nfs/dbraw/zinc/02/23/23/840022323.db2.gz JTYJENDRSKXULO-DAYGRLMNSA-N 2 0 352.479 -0.519 20 0 FBADRP CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001092276281 840022455 /nfs/dbraw/zinc/02/24/55/840022455.db2.gz JTYJENDRSKXULO-RKVPGOIHSA-N 2 0 352.479 -0.519 20 0 FBADRP C[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001092505677 840036732 /nfs/dbraw/zinc/03/67/32/840036732.db2.gz VIHQCXUDKLOGGX-BZUAXINKSA-N 2 0 352.479 -0.377 20 0 FBADRP C[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001092505678 840036808 /nfs/dbraw/zinc/03/68/08/840036808.db2.gz VIHQCXUDKLOGGX-OAGGEKHMSA-N 2 0 352.479 -0.377 20 0 FBADRP C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001092510317 840036350 /nfs/dbraw/zinc/03/63/50/840036350.db2.gz PGIVPZSCHVCIBQ-KFWWJZLASA-N 2 0 350.463 -0.086 20 0 FBADRP C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001092510320 840036400 /nfs/dbraw/zinc/03/64/00/840036400.db2.gz PGIVPZSCHVCIBQ-RBSFLKMASA-N 2 0 350.463 -0.086 20 0 FBADRP C[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001092510776 840037100 /nfs/dbraw/zinc/03/71/00/840037100.db2.gz ZDTWVXAMBGNEFZ-MCIONIFRSA-N 2 0 351.451 -0.684 20 0 FBADRP C[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001092510778 840037393 /nfs/dbraw/zinc/03/73/93/840037393.db2.gz ZDTWVXAMBGNEFZ-MGPQQGTHSA-N 2 0 351.451 -0.684 20 0 FBADRP CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](C)C1 ZINC001092614827 840044605 /nfs/dbraw/zinc/04/46/05/840044605.db2.gz XMEVCGINLDTBGX-ZIAGYGMSSA-N 2 0 350.467 -0.512 20 0 FBADRP C[C@@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](C)C1 ZINC001092615197 840044211 /nfs/dbraw/zinc/04/42/11/840044211.db2.gz BEJHYVKEQYAVTH-HZSPNIEDSA-N 2 0 350.467 -0.384 20 0 FBADRP C[C@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](C)C1 ZINC001092615200 840044376 /nfs/dbraw/zinc/04/43/76/840044376.db2.gz BEJHYVKEQYAVTH-MGPQQGTHSA-N 2 0 350.467 -0.384 20 0 FBADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@@H+](Cc3nc(=O)n(C)[nH]3)C[C@H]2C)CC[NH+]1C ZINC001092620325 840046414 /nfs/dbraw/zinc/04/64/14/840046414.db2.gz BOLYDLXERDVSIQ-AAVRWANBSA-N 2 0 350.467 -0.367 20 0 FBADRP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001092675480 840048289 /nfs/dbraw/zinc/04/82/89/840048289.db2.gz ININXZWBTMGRJN-FMKPAKJESA-N 2 0 352.479 -0.201 20 0 FBADRP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001092675481 840047826 /nfs/dbraw/zinc/04/78/26/840047826.db2.gz ININXZWBTMGRJN-IIAWOOMASA-N 2 0 352.479 -0.201 20 0 FBADRP CNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001092838110 840056801 /nfs/dbraw/zinc/05/68/01/840056801.db2.gz MKRHTHDNAGBOCB-ILLDSPSKSA-N 2 0 350.463 -0.720 20 0 FBADRP CNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001092838111 840057103 /nfs/dbraw/zinc/05/71/03/840057103.db2.gz MKRHTHDNAGBOCB-PGJZFTLKSA-N 2 0 350.463 -0.720 20 0 FBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](CC(=O)N(C)C)C[C@H]2C)C1 ZINC001092910835 840061685 /nfs/dbraw/zinc/06/16/85/840061685.db2.gz KAWFUPORYNALPW-BZUAXINKSA-N 2 0 354.495 -0.132 20 0 FBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](CC(=O)N(C)C)C[C@H]2C)C1 ZINC001092910836 840061325 /nfs/dbraw/zinc/06/13/25/840061325.db2.gz KAWFUPORYNALPW-OAGGEKHMSA-N 2 0 354.495 -0.132 20 0 FBADRP C[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001092931691 840065947 /nfs/dbraw/zinc/06/59/47/840065947.db2.gz VSOOKZYJLDORAC-TZMCWYRMSA-N 2 0 350.467 -0.366 20 0 FBADRP C[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001092937893 840066511 /nfs/dbraw/zinc/06/65/11/840066511.db2.gz YZCALOOTLFKRKY-BPLDGKMQSA-N 2 0 350.463 -0.183 20 0 FBADRP C[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001092937895 840068090 /nfs/dbraw/zinc/06/80/90/840068090.db2.gz YZCALOOTLFKRKY-YUELXQCFSA-N 2 0 350.463 -0.183 20 0 FBADRP CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](C)C1 ZINC001093040048 840075892 /nfs/dbraw/zinc/07/58/92/840075892.db2.gz FFBWAPPIWOTVOA-ZIAGYGMSSA-N 2 0 350.467 -0.512 20 0 FBADRP C[C@@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](C)C1 ZINC001093040810 840076302 /nfs/dbraw/zinc/07/63/02/840076302.db2.gz VQUHJMNZDIFUTF-HZSPNIEDSA-N 2 0 350.467 -0.384 20 0 FBADRP C[C@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](C)C1 ZINC001093040811 840076268 /nfs/dbraw/zinc/07/62/68/840076268.db2.gz VQUHJMNZDIFUTF-MGPQQGTHSA-N 2 0 350.467 -0.384 20 0 FBADRP C[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001093195157 840080888 /nfs/dbraw/zinc/08/08/88/840080888.db2.gz MDYGVJMPSLEQER-HZSPNIEDSA-N 2 0 351.451 -0.826 20 0 FBADRP C[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001093195158 840080856 /nfs/dbraw/zinc/08/08/56/840080856.db2.gz MDYGVJMPSLEQER-MGPQQGTHSA-N 2 0 351.451 -0.826 20 0 FBADRP C[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001093195379 840080561 /nfs/dbraw/zinc/08/05/61/840080561.db2.gz PHFXVDOPGQGKKC-BZUAXINKSA-N 2 0 352.479 -0.519 20 0 FBADRP C[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001093195380 840080804 /nfs/dbraw/zinc/08/08/04/840080804.db2.gz PHFXVDOPGQGKKC-OWCLPIDISA-N 2 0 352.479 -0.519 20 0 FBADRP C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001093197499 840080162 /nfs/dbraw/zinc/08/01/62/840080162.db2.gz SLTXZVPIZHSPCS-QLFBSQMISA-N 2 0 350.463 -0.229 20 0 FBADRP C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001093197500 840080105 /nfs/dbraw/zinc/08/01/05/840080105.db2.gz SLTXZVPIZHSPCS-RBSFLKMASA-N 2 0 350.463 -0.229 20 0 FBADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1CC[NH2+][C@H]1CCC(=O)NC1=O ZINC001093290857 840088990 /nfs/dbraw/zinc/08/89/90/840088990.db2.gz BPJZNHKXWRJVHF-KFWWJZLASA-N 2 0 350.463 -0.038 20 0 FBADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1CC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001093290858 840088959 /nfs/dbraw/zinc/08/89/59/840088959.db2.gz BPJZNHKXWRJVHF-RBSFLKMASA-N 2 0 350.463 -0.038 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CCOC3(CCC([NH2+]CC(N)=O)CC3)C2)CC[N@@H+]1C ZINC001093399707 840090172 /nfs/dbraw/zinc/09/01/72/840090172.db2.gz NJBRVKXNKWMNRT-XYSPPFBYSA-N 2 0 352.479 -0.058 20 0 FBADRP CC(C)[C@H]1N(C(=O)C[NH+]2CCCC2)C[C@]12C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2 ZINC001093480523 840099579 /nfs/dbraw/zinc/09/95/79/840099579.db2.gz LCSCGZJNBXUTHE-DTDBQYNISA-N 2 0 352.479 -0.466 20 0 FBADRP CC(C)[C@H]1N(C(=O)C[NH+]2CCCC2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2 ZINC001093480524 840099675 /nfs/dbraw/zinc/09/96/75/840099675.db2.gz LCSCGZJNBXUTHE-DTTOXWODSA-N 2 0 352.479 -0.466 20 0 FBADRP CC(C)[C@@H]1N(C(=O)C[NH+]2CCCC2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2 ZINC001093480525 840099505 /nfs/dbraw/zinc/09/95/05/840099505.db2.gz LCSCGZJNBXUTHE-KJWYOANISA-N 2 0 352.479 -0.466 20 0 FBADRP CC(C)[C@@H]1N(C(=O)C[NH+]2CCCC2)C[C@]12C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2 ZINC001093480526 840098980 /nfs/dbraw/zinc/09/89/80/840098980.db2.gz LCSCGZJNBXUTHE-KNCCTNLNSA-N 2 0 352.479 -0.466 20 0 FBADRP C[C@@H](O)CN1CC(OC2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)CC2)C1 ZINC001093545447 840100003 /nfs/dbraw/zinc/10/00/03/840100003.db2.gz GOUGUWAODYBQHP-CKEIUWERSA-N 2 0 355.479 -0.222 20 0 FBADRP C[C@H](O)CN1CC(OC2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)CC2)C1 ZINC001093545448 840099818 /nfs/dbraw/zinc/09/98/18/840099818.db2.gz GOUGUWAODYBQHP-JJRVBVJISA-N 2 0 355.479 -0.222 20 0 FBADRP C[C@@H]1CN(C)C[C@H](C(=O)N2CCC(OC3CN(CCCO)C3)CC2)O1 ZINC001093545935 840099602 /nfs/dbraw/zinc/09/96/02/840099602.db2.gz YLDGYCFEXLHYOI-RHSMWYFYSA-N 2 0 355.479 -0.220 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)[C@H](C)C2)CC[N@@H+]1C ZINC001093780910 840106403 /nfs/dbraw/zinc/10/64/03/840106403.db2.gz KMLHERVDQYUTAG-AAVRWANBSA-N 2 0 350.467 -0.367 20 0 FBADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C[NH2+][C@H]1CCC(=O)NC1=O ZINC001093820762 840108247 /nfs/dbraw/zinc/10/82/47/840108247.db2.gz NCYROPSYEOWOCT-MCIONIFRSA-N 2 0 350.463 -0.040 20 0 FBADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001093820763 840107297 /nfs/dbraw/zinc/10/72/97/840107297.db2.gz NCYROPSYEOWOCT-MGPQQGTHSA-N 2 0 350.463 -0.040 20 0 FBADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001093822410 840107962 /nfs/dbraw/zinc/10/79/62/840107962.db2.gz PWVMUDONZBZGRE-CHWSQXEVSA-N 2 0 350.467 -0.223 20 0 FBADRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001093824015 840107367 /nfs/dbraw/zinc/10/73/67/840107367.db2.gz CPQCAFZVZFVHDI-KYOSRNDESA-N 2 0 350.467 -0.367 20 0 FBADRP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001093824016 840107525 /nfs/dbraw/zinc/10/75/25/840107525.db2.gz CPQCAFZVZFVHDI-UXIGCNINSA-N 2 0 350.467 -0.367 20 0 FBADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C[NH2+][C@H]1CCC(=O)NC1=O ZINC001093825297 840107452 /nfs/dbraw/zinc/10/74/52/840107452.db2.gz BYRSMWFQNRCKSB-NFAWXSAZSA-N 2 0 350.463 -0.040 20 0 FBADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001093825298 840107647 /nfs/dbraw/zinc/10/76/47/840107647.db2.gz BYRSMWFQNRCKSB-UMVBOHGHSA-N 2 0 350.463 -0.040 20 0 FBADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001093826049 840108209 /nfs/dbraw/zinc/10/82/09/840108209.db2.gz ZPHLPKXAZSUUPZ-CHWSQXEVSA-N 2 0 350.467 -0.223 20 0 FBADRP CC(C)[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)[C@H](C)C1)[NH+](C)C ZINC001093839460 840109385 /nfs/dbraw/zinc/10/93/85/840109385.db2.gz PEWPPHGQYQUURU-NFAWXSAZSA-N 2 0 352.483 -0.121 20 0 FBADRP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001093864008 840109428 /nfs/dbraw/zinc/10/94/28/840109428.db2.gz DZKWIHBHXFHRJL-MCIONIFRSA-N 2 0 350.467 -0.223 20 0 FBADRP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001093864009 840108746 /nfs/dbraw/zinc/10/87/46/840108746.db2.gz DZKWIHBHXFHRJL-MGPQQGTHSA-N 2 0 350.467 -0.223 20 0 FBADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001094010658 840118761 /nfs/dbraw/zinc/11/87/61/840118761.db2.gz IQAREONRWNPXQC-TZMCWYRMSA-N 2 0 350.467 -0.366 20 0 FBADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001094012013 840118750 /nfs/dbraw/zinc/11/87/50/840118750.db2.gz CFWNPLKSTODCHJ-BPLDGKMQSA-N 2 0 350.463 -0.183 20 0 FBADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C[NH2+][C@H]1CCC(=O)NC1=O ZINC001094012016 840118218 /nfs/dbraw/zinc/11/82/18/840118218.db2.gz CFWNPLKSTODCHJ-YUELXQCFSA-N 2 0 350.463 -0.183 20 0 FBADRP CC(C)[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)[C@H](C)C1)[NH+](C)C ZINC001094020937 840118801 /nfs/dbraw/zinc/11/88/01/840118801.db2.gz PEWPPHGQYQUURU-UMVBOHGHSA-N 2 0 352.483 -0.121 20 0 FBADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001094040817 840118721 /nfs/dbraw/zinc/11/87/21/840118721.db2.gz PNEAWUGGQSBBRH-HZSPNIEDSA-N 2 0 350.467 -0.223 20 0 FBADRP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)[C@H](C)C1 ZINC001094040818 840118486 /nfs/dbraw/zinc/11/84/86/840118486.db2.gz PNEAWUGGQSBBRH-MGPQQGTHSA-N 2 0 350.467 -0.223 20 0 FBADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)[C@H](C)C2)C1 ZINC001094041529 840118066 /nfs/dbraw/zinc/11/80/66/840118066.db2.gz ACMWVNXXQWCARN-BFHYXJOUSA-N 2 0 350.467 -0.366 20 0 FBADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)[C@H](C)C2)C1 ZINC001094041534 840118671 /nfs/dbraw/zinc/11/86/71/840118671.db2.gz ACMWVNXXQWCARN-MGPQQGTHSA-N 2 0 350.467 -0.366 20 0 FBADRP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C[NH2+][C@H]1CCNC1=O ZINC001094137766 840123021 /nfs/dbraw/zinc/12/30/21/840123021.db2.gz WOSFDXDFVHFWOW-FMKPAKJESA-N 2 0 352.479 -0.330 20 0 FBADRP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC001094137767 840123092 /nfs/dbraw/zinc/12/30/92/840123092.db2.gz WOSFDXDFVHFWOW-IIAWOOMASA-N 2 0 352.479 -0.330 20 0 FBADRP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001094165246 840124660 /nfs/dbraw/zinc/12/46/60/840124660.db2.gz JFJARODWJUCFRW-HZSPNIEDSA-N 2 0 350.467 -0.366 20 0 FBADRP C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001094165247 840124580 /nfs/dbraw/zinc/12/45/80/840124580.db2.gz JFJARODWJUCFRW-MGPQQGTHSA-N 2 0 350.467 -0.366 20 0 FBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CC(N)=O)CC3)C1 ZINC001094495246 840136950 /nfs/dbraw/zinc/13/69/50/840136950.db2.gz HWQINISKOYSZFX-HDMKZQKVSA-N 2 0 352.479 -0.058 20 0 FBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CC(N)=O)CC3)C1 ZINC001094495248 840137637 /nfs/dbraw/zinc/13/76/37/840137637.db2.gz HWQINISKOYSZFX-IIDMSEBBSA-N 2 0 352.479 -0.058 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CCC([NH+](CCO)CC(=O)N(C)C)CC2)CC[N@@H+]1C ZINC001098370951 842381490 /nfs/dbraw/zinc/38/14/90/842381490.db2.gz CNOVQRZYVDMLQD-GDBMZVCRSA-N 2 0 354.495 -0.300 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CCC([NH+](CCO)CCOCCO)CC2)CC[N@@H+]1C ZINC001098371130 839181701 /nfs/dbraw/zinc/18/17/01/839181701.db2.gz IGGYCNUEXBGVRP-NVXWUHKLSA-N 2 0 357.495 -0.379 20 0 FBADRP COC[C@H](O)C[N@H+](CCO)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001098371175 842380936 /nfs/dbraw/zinc/38/09/36/842380936.db2.gz JVPPGBMAJLEWEB-DJIMGWMZSA-N 2 0 357.495 -0.381 20 0 FBADRP COC[C@@H](O)C[N@H+](CCO)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001098371176 842379903 /nfs/dbraw/zinc/37/99/03/842379903.db2.gz JVPPGBMAJLEWEB-HYVNUMGLSA-N 2 0 357.495 -0.381 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH+](CCO)CC(=O)NC)CC2)CC[N@@H+]1C ZINC001098371354 839181609 /nfs/dbraw/zinc/18/16/09/839181609.db2.gz ODBSPQDDDRJLCS-JKSUJKDBSA-N 2 0 354.495 -0.252 20 0 FBADRP CCNC(=O)C[N@H+](CCO)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001098371589 839181118 /nfs/dbraw/zinc/18/11/18/839181118.db2.gz ZXZRXYHFWAETIC-GDBMZVCRSA-N 2 0 354.495 -0.252 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H](n3cc(C[NH2+]CCCO)nn3)C2)CC[N@@H+]1C ZINC001098672390 836839071 /nfs/dbraw/zinc/83/90/71/836839071.db2.gz DUTARZHIEMNMNI-FVQBIDKESA-N 2 0 350.467 -0.136 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CC[C@H](n3cc(C[NH2+]CCCO)nn3)C2)CC[N@@H+]1C ZINC001098672394 836838905 /nfs/dbraw/zinc/83/89/05/836838905.db2.gz DUTARZHIEMNMNI-VNQPRFMTSA-N 2 0 350.467 -0.136 20 0 FBADRP O=C([C@@H]1C[N@@H+]2CC3CC2(C3)CO1)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCO)C1 ZINC001099283588 842421120 /nfs/dbraw/zinc/42/11/20/842421120.db2.gz FNSIFPCYUPCBRZ-UNOFRPGUSA-N 2 0 363.380 -0.179 20 0 FBADRP O=C([C@H]1C[N@@H+]2CC3CC2(C3)CO1)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCO)C1 ZINC001099283589 842420600 /nfs/dbraw/zinc/42/06/00/842420600.db2.gz FNSIFPCYUPCBRZ-YGFYLSKRSA-N 2 0 363.380 -0.179 20 0 FBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCO)C1 ZINC001099342689 842433270 /nfs/dbraw/zinc/43/32/70/842433270.db2.gz SVNBGANITFXQGK-JHJVBQTASA-N 2 0 353.385 -0.074 20 0 FBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCO)C1 ZINC001099342690 842433937 /nfs/dbraw/zinc/43/39/37/842433937.db2.gz SVNBGANITFXQGK-YNEHKIRRSA-N 2 0 353.385 -0.074 20 0 FBADRP C[C@@H]1[C@H](C(=O)NCC2CC([NH2+]CCN(C)S(C)(=O)=O)C2)CC[N@@H+]1C ZINC001100343420 852191854 /nfs/dbraw/zinc/19/18/54/852191854.db2.gz FXEFJLXZJHSQEX-XSCHDIRWSA-N 2 0 360.524 -0.298 20 0 FBADRP CCOCCNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001100343561 852191758 /nfs/dbraw/zinc/19/17/58/852191758.db2.gz HZLRXXVHYSEFDR-PRLABOORSA-N 2 0 354.495 -0.036 20 0 FBADRP CC(=O)NCCOCC[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001100343590 852191777 /nfs/dbraw/zinc/19/17/77/852191777.db2.gz JRFSPHPITFJGNE-LHUBUQBQSA-N 2 0 354.495 -0.036 20 0 FBADRP COCCCNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001100343784 852191813 /nfs/dbraw/zinc/19/18/13/852191813.db2.gz SLZNGMSXEATLQL-PRLABOORSA-N 2 0 354.495 -0.036 20 0 FBADRP CCNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001100343883 852191377 /nfs/dbraw/zinc/19/13/77/852191377.db2.gz XZWDBMYIVCUBIB-BLYZHGLHSA-N 2 0 353.467 -0.343 20 0 FBADRP CCS(=O)(=O)NCC[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001100343917 852191700 /nfs/dbraw/zinc/19/17/00/852191700.db2.gz ZQQSUPGTQVQNIQ-XSCHDIRWSA-N 2 0 360.524 -0.250 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)NCC2CC([NH2+]CCNS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001100345144 852191598 /nfs/dbraw/zinc/19/15/98/852191598.db2.gz RJVIUANDXARXBC-PFSRBDOWSA-N 2 0 360.524 -0.250 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)NCC2CC([NH2+]CC(=O)NC(=O)NC)C2)CC[N@@H+]1C ZINC001100345214 852191828 /nfs/dbraw/zinc/19/18/28/852191828.db2.gz VJYMFEOVCPRWOT-CLRIEMFWSA-N 2 0 353.467 -0.343 20 0 FBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CCNS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101171624 842449643 /nfs/dbraw/zinc/44/96/43/842449643.db2.gz GVLYQAMNTMHJNY-FMKPAKJESA-N 2 0 358.508 -0.590 20 0 FBADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCNS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101171625 842449945 /nfs/dbraw/zinc/44/99/45/842449945.db2.gz GVLYQAMNTMHJNY-YCPHGPKFSA-N 2 0 358.508 -0.590 20 0 FBADRP CNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001101171785 842449597 /nfs/dbraw/zinc/44/95/97/842449597.db2.gz LHNGKBJOQYDBMB-IGCXYCKISA-N 2 0 351.451 -0.684 20 0 FBADRP CNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001101171786 842449758 /nfs/dbraw/zinc/44/97/58/842449758.db2.gz LHNGKBJOQYDBMB-XNJGSVPQSA-N 2 0 351.451 -0.684 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2C[C@H]3C[NH+](CC(=O)NC(N)=O)C[C@@]3(C)C2)CC[N@@H+]1C ZINC001101243509 842461586 /nfs/dbraw/zinc/46/15/86/842461586.db2.gz IMZKBYNHPJCGHB-ZFRZLUBXSA-N 2 0 351.451 -0.698 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2C[C@H]3C[NH+](CCNS(C)(=O)=O)C[C@@]3(C)C2)CC[N@@H+]1C ZINC001101243610 842461977 /nfs/dbraw/zinc/46/19/77/842461977.db2.gz RQCHOHPHAVTIQB-ANQUJSFKSA-N 2 0 372.535 -0.344 20 0 FBADRP C[NH+](C)C1(C(=O)N2C[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@@]3(C)C2)CCC1 ZINC001101266737 842469523 /nfs/dbraw/zinc/46/95/23/842469523.db2.gz RZDUKNUOMVHSMU-WBMJQRKESA-N 2 0 351.451 -0.554 20 0 FBADRP C[NH+](C)[C@H](C(=O)N1C[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@@]2(C)C1)C1CC1 ZINC001101267725 842470090 /nfs/dbraw/zinc/47/00/90/842470090.db2.gz QEHUVQLGWJDCBW-IFIJOSMWSA-N 2 0 351.451 -0.698 20 0 FBADRP C[NH+](C)[C@@H](C(=O)N1C[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@@]2(C)C1)C1CC1 ZINC001101267726 842469752 /nfs/dbraw/zinc/46/97/52/842469752.db2.gz QEHUVQLGWJDCBW-MRRJBJDNSA-N 2 0 351.451 -0.698 20 0 FBADRP C[N@H+](CC(=O)N1C[C@H]2C[NH+](CC(=O)NC(N)=O)C[C@@]2(C)C1)C1CCC1 ZINC001101268593 842469445 /nfs/dbraw/zinc/46/94/45/842469445.db2.gz JXLFVSZVHYANFW-PXAZEXFGSA-N 2 0 351.451 -0.554 20 0 FBADRP CC(C)[C@@H](C(=O)N1C[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@@]2(C)C1)[NH+](C)C ZINC001101272408 842469666 /nfs/dbraw/zinc/46/96/66/842469666.db2.gz KYUHOQLRVBRTKB-IFIJOSMWSA-N 2 0 353.467 -0.452 20 0 FBADRP CC[C@H](C(=O)N1C[C@H]2C[N@H+](CC(=O)NC(=O)NC)C[C@@]2(C)C1)[NH+](C)C ZINC001101277537 842471510 /nfs/dbraw/zinc/47/15/10/842471510.db2.gz MIBAQGJKRXRCJY-XNJGSVPQSA-N 2 0 353.467 -0.438 20 0 FBADRP CC[C@H](C(=O)N1C[C@H]2C[N@H+](CCNS(C)(=O)=O)C[C@@]2(C)C1)[NH+](C)C ZINC001101277611 842470670 /nfs/dbraw/zinc/47/06/70/842470670.db2.gz PFMDHUZJBUBVOF-FMKPAKJESA-N 2 0 360.524 -0.344 20 0 FBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101279615 842470611 /nfs/dbraw/zinc/47/06/11/842470611.db2.gz RSTSZWBGBDTOQJ-IGCXYCKISA-N 2 0 351.451 -0.554 20 0 FBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101279616 842471115 /nfs/dbraw/zinc/47/11/15/842471115.db2.gz RSTSZWBGBDTOQJ-XNJGSVPQSA-N 2 0 351.451 -0.554 20 0 FBADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@H]2C[NH+](CC(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101284797 842472204 /nfs/dbraw/zinc/47/22/04/842472204.db2.gz AEWRVUUZHPCSAH-PXAZEXFGSA-N 2 0 353.467 -0.308 20 0 FBADRP C[NH+](C)CC1(C(=O)N2C[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@@]3(C)C2)CC1 ZINC001101342114 842481935 /nfs/dbraw/zinc/48/19/35/842481935.db2.gz ZTLLTRDTCINQML-WBMJQRKESA-N 2 0 351.451 -0.697 20 0 FBADRP CNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@]2(C)C1 ZINC001101344860 842480984 /nfs/dbraw/zinc/48/09/84/842480984.db2.gz IARBDKQHQORZQF-DYVFJYSZSA-N 2 0 353.467 -0.436 20 0 FBADRP C[NH+](C)CCCC(=O)N1C[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@@]2(C)C1 ZINC001101345003 842481401 /nfs/dbraw/zinc/48/14/01/842481401.db2.gz OVODPMFREGEMFM-GLJUWKHASA-N 2 0 350.463 -0.086 20 0 FBADRP C[NH+](C)CCCC(=O)N1C[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@@]2(C)C1 ZINC001101345004 842480935 /nfs/dbraw/zinc/48/09/35/842480935.db2.gz OVODPMFREGEMFM-LBTNJELSSA-N 2 0 350.463 -0.086 20 0 FBADRP C[NH+](C)CCCC(=O)N1C[C@H]2C[N@H+](CCNS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101345205 842483274 /nfs/dbraw/zinc/48/32/74/842483274.db2.gz YVERWERKKZTTNG-ZBFHGGJFSA-N 2 0 360.524 -0.342 20 0 FBADRP C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@]2(C)C1 ZINC001101345883 842482880 /nfs/dbraw/zinc/48/28/80/842482880.db2.gz MEMDFCJBUDQCFV-AHIWAGSCSA-N 2 0 353.467 -0.308 20 0 FBADRP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@]2(C)C1 ZINC001101345884 842483062 /nfs/dbraw/zinc/48/30/62/842483062.db2.gz MEMDFCJBUDQCFV-XNJGSVPQSA-N 2 0 353.467 -0.308 20 0 FBADRP C[NH+]1CCC(C(=O)N2C[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@@]3(C)C2)CC1 ZINC001101348937 842482721 /nfs/dbraw/zinc/48/27/21/842482721.db2.gz OJSDDIQFIHSTQE-DYVFJYSZSA-N 2 0 351.451 -0.697 20 0 FBADRP CCOCCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101351209 842484701 /nfs/dbraw/zinc/48/47/01/842484701.db2.gz XPXXUWRXHWZSOA-QAPCUYQASA-N 2 0 354.495 -0.129 20 0 FBADRP CCNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101351307 842485022 /nfs/dbraw/zinc/48/50/22/842485022.db2.gz CGWRWTSRPQGEPP-DYVFJYSZSA-N 2 0 353.467 -0.436 20 0 FBADRP C[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@@]2(C)C1 ZINC001101351477 842484564 /nfs/dbraw/zinc/48/45/64/842484564.db2.gz HBRZWRCHKZPFNX-DYVFJYSZSA-N 2 0 351.451 -0.730 20 0 FBADRP COCCOC[C@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101351547 842484503 /nfs/dbraw/zinc/48/45/03/842484503.db2.gz JZQKTZPAVHKMMH-NUJGCVRESA-N 2 0 357.495 -0.258 20 0 FBADRP COCCOC[C@@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101351548 842484269 /nfs/dbraw/zinc/48/42/69/842484269.db2.gz JZQKTZPAVHKMMH-RYRKJORJSA-N 2 0 357.495 -0.258 20 0 FBADRP COCCCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101351670 842484787 /nfs/dbraw/zinc/48/47/87/842484787.db2.gz KUZUPHIFDMENBJ-QAPCUYQASA-N 2 0 354.495 -0.129 20 0 FBADRP CC(=O)NCCOCC[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101351774 842485044 /nfs/dbraw/zinc/48/50/44/842485044.db2.gz MRPBWENUXDRXSK-AEFFLSMTSA-N 2 0 354.495 -0.129 20 0 FBADRP CN(CC[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1)S(C)(=O)=O ZINC001101352041 842484284 /nfs/dbraw/zinc/48/42/84/842484284.db2.gz UGABLJHOXSPVQA-ZBFHGGJFSA-N 2 0 360.524 -0.390 20 0 FBADRP C[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](CC(=O)N3CCOCC3)C[C@@]2(C)C1 ZINC001101352182 842484801 /nfs/dbraw/zinc/48/48/01/842484801.db2.gz VVIQLUQIUPVZAU-QAPCUYQASA-N 2 0 352.479 -0.423 20 0 FBADRP CCS(=O)(=O)NCC[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101352246 842484598 /nfs/dbraw/zinc/48/45/98/842484598.db2.gz YTTNHOXEDSEEHF-ZBFHGGJFSA-N 2 0 360.524 -0.342 20 0 FBADRP CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101352367 842484486 /nfs/dbraw/zinc/48/44/86/842484486.db2.gz CLFQGVNTTLYCEM-AHIWAGSCSA-N 2 0 353.467 -0.438 20 0 FBADRP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101352368 842484448 /nfs/dbraw/zinc/48/44/48/842484448.db2.gz CLFQGVNTTLYCEM-XNJGSVPQSA-N 2 0 353.467 -0.438 20 0 FBADRP CC(C)[C@H](C(=O)N1C[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@@]2(C)C1)[NH+](C)C ZINC001101352824 842484740 /nfs/dbraw/zinc/48/47/40/842484740.db2.gz KYUHOQLRVBRTKB-MRRJBJDNSA-N 2 0 353.467 -0.452 20 0 FBADRP C[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@@]2(C)C1 ZINC001101352829 836291797 /nfs/dbraw/zinc/29/17/97/836291797.db2.gz LHBPLDSVSZFBPX-KDOFPFPSSA-N 2 0 350.463 -0.133 20 0 FBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2C[NH+](CC(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101363623 842486046 /nfs/dbraw/zinc/48/60/46/842486046.db2.gz YXOSTCVGZMAHKS-AHIWAGSCSA-N 2 0 351.451 -0.554 20 0 FBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2C[NH+](CC(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101363624 842486934 /nfs/dbraw/zinc/48/69/34/842486934.db2.gz YXOSTCVGZMAHKS-XNJGSVPQSA-N 2 0 351.451 -0.554 20 0 FBADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@H]3C[NH+](CC(=O)NC(N)=O)C[C@@]3(C)C2)C1 ZINC001101363863 842485776 /nfs/dbraw/zinc/48/57/76/842485776.db2.gz CNUKYBZZDLYXEX-AHIWAGSCSA-N 2 0 351.451 -0.697 20 0 FBADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]3C[NH+](CC(=O)NC(N)=O)C[C@@]3(C)C2)C1 ZINC001101363864 842487025 /nfs/dbraw/zinc/48/70/25/842487025.db2.gz CNUKYBZZDLYXEX-XNJGSVPQSA-N 2 0 351.451 -0.697 20 0 FBADRP CC[C@@H](C(=O)N1C[C@H]2C[N@H+](CC(=O)NC(=O)NC)C[C@@]2(C)C1)[NH+](C)C ZINC001101365843 842486629 /nfs/dbraw/zinc/48/66/29/842486629.db2.gz MIBAQGJKRXRCJY-IGCXYCKISA-N 2 0 353.467 -0.438 20 0 FBADRP CC[C@@H](C(=O)N1C[C@H]2C[N@H+](CCNS(C)(=O)=O)C[C@@]2(C)C1)[NH+](C)C ZINC001101365910 836305833 /nfs/dbraw/zinc/30/58/33/836305833.db2.gz PFMDHUZJBUBVOF-YCPHGPKFSA-N 2 0 360.524 -0.344 20 0 FBADRP C[C@@H](COCC(=O)N1C[C@H]2C[N@H+](CC(N)=O)C[C@@]2(C)C1)[NH+]1CCCC1 ZINC001101369660 842485697 /nfs/dbraw/zinc/48/56/97/842485697.db2.gz GKVUFHATTPNEIV-DAYGRLMNSA-N 2 0 352.479 -0.247 20 0 FBADRP C[C@H](COCC(=O)N1C[C@H]2C[N@H+](CC(N)=O)C[C@@]2(C)C1)[NH+]1CCCC1 ZINC001101369661 842486174 /nfs/dbraw/zinc/48/61/74/842486174.db2.gz GKVUFHATTPNEIV-RKVPGOIHSA-N 2 0 352.479 -0.247 20 0 FBADRP CC[NH+](CC)CC(=O)N1C[C@H]2C[N@H+](CC(=O)NC(=O)NC)C[C@@]2(C)C1 ZINC001101397810 842493944 /nfs/dbraw/zinc/49/39/44/842493944.db2.gz IPMLUZDYBQPWNK-DYVFJYSZSA-N 2 0 353.467 -0.436 20 0 FBADRP CC[NH+](CC)CC(=O)N1C[C@H]2C[N@H+](CCNS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101400015 842493659 /nfs/dbraw/zinc/49/36/59/842493659.db2.gz CIAPDTBFFJARSD-ZBFHGGJFSA-N 2 0 360.524 -0.342 20 0 FBADRP CC[NH+](CC)CC(=O)N1C[C@H]2C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101400198 842494175 /nfs/dbraw/zinc/49/41/75/842494175.db2.gz LFQGBJGKBXBQLX-AHIWAGSCSA-N 2 0 353.467 -0.308 20 0 FBADRP CC[NH+](CC)CC(=O)N1C[C@H]2C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101400199 842494202 /nfs/dbraw/zinc/49/42/02/842494202.db2.gz LFQGBJGKBXBQLX-XNJGSVPQSA-N 2 0 353.467 -0.308 20 0 FBADRP CC[NH+](CC)CC(=O)N1C[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@@]2(C)C1 ZINC001101400363 842493619 /nfs/dbraw/zinc/49/36/19/842493619.db2.gz SSNFYKZPETXRBA-GLJUWKHASA-N 2 0 350.463 -0.086 20 0 FBADRP CC[NH+](CC)CC(=O)N1C[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@@]2(C)C1 ZINC001101400364 842493529 /nfs/dbraw/zinc/49/35/29/842493529.db2.gz SSNFYKZPETXRBA-LBTNJELSSA-N 2 0 350.463 -0.086 20 0 FBADRP CC[N@H+](C)CCC(=O)N1C[C@H]2C[NH+]([C@@H](C)C(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101417134 842495576 /nfs/dbraw/zinc/49/55/76/842495576.db2.gz AXVYUYMEDJBQJA-AHIWAGSCSA-N 2 0 353.467 -0.308 20 0 FBADRP CC[N@H+](C)CCC(=O)N1C[C@H]2C[NH+]([C@H](C)C(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101417135 842495096 /nfs/dbraw/zinc/49/50/96/842495096.db2.gz AXVYUYMEDJBQJA-XNJGSVPQSA-N 2 0 353.467 -0.308 20 0 FBADRP CC[N@H+](C)CCC(=O)N1C[C@H]2C[NH+]([C@H]3CCC(=O)NC3=O)C[C@@]2(C)C1 ZINC001101418225 842495408 /nfs/dbraw/zinc/49/54/08/842495408.db2.gz GTMIRMJVFFNZHC-GLJUWKHASA-N 2 0 350.463 -0.086 20 0 FBADRP CC[N@H+](C)CCC(=O)N1C[C@H]2C[NH+]([C@@H]3CCC(=O)NC3=O)C[C@@]2(C)C1 ZINC001101418226 842495714 /nfs/dbraw/zinc/49/57/14/842495714.db2.gz GTMIRMJVFFNZHC-LBTNJELSSA-N 2 0 350.463 -0.086 20 0 FBADRP CC[N@H+](C)CCC(=O)N1C[C@H]2C[NH+](CC(=O)NC(=O)NC)C[C@@]2(C)C1 ZINC001101418453 842495610 /nfs/dbraw/zinc/49/56/10/842495610.db2.gz SDAQQIMKWUJAGK-DYVFJYSZSA-N 2 0 353.467 -0.436 20 0 FBADRP CC[N@H+](C)CCC(=O)N1C[C@H]2C[NH+](CCNS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101418582 842495525 /nfs/dbraw/zinc/49/55/25/842495525.db2.gz ZDNFCLVWYAPXIF-ZBFHGGJFSA-N 2 0 360.524 -0.342 20 0 FBADRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H]3C[NH+](CC(=O)NC(N)=O)C[C@@]3(C)C2)C1 ZINC001101429973 842497633 /nfs/dbraw/zinc/49/76/33/842497633.db2.gz JFKANCKFKFPZFL-AHIWAGSCSA-N 2 0 351.451 -0.697 20 0 FBADRP C[N@@H+]1CC[C@H](CC(=O)N2C[C@H]3C[NH+](CC(=O)NC(N)=O)C[C@@]3(C)C2)C1 ZINC001101429974 842497195 /nfs/dbraw/zinc/49/71/95/842497195.db2.gz JFKANCKFKFPZFL-XNJGSVPQSA-N 2 0 351.451 -0.697 20 0 FBADRP C[C@]12CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]1C[N@H+](CCNS(C)(=O)=O)C2 ZINC001101431218 842497134 /nfs/dbraw/zinc/49/71/34/842497134.db2.gz FGHQZQQQKJIYNP-ZBFHGGJFSA-N 2 0 370.519 -0.588 20 0 FBADRP CC(C)NC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101431475 842497591 /nfs/dbraw/zinc/49/75/91/842497591.db2.gz POAGWDOUHHISEU-QAPCUYQASA-N 2 0 354.495 -0.131 20 0 FBADRP C[NH+](C)CCOCC(=O)N1C[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@@]2(C)C1 ZINC001101431489 842497657 /nfs/dbraw/zinc/49/76/57/842497657.db2.gz PXTCBENDFXWILQ-QAPCUYQASA-N 2 0 352.479 -0.423 20 0 FBADRP CCN(C)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101431543 842496593 /nfs/dbraw/zinc/49/65/93/842496593.db2.gz STNMKHOGQGFSLN-QAPCUYQASA-N 2 0 354.495 -0.177 20 0 FBADRP C[NH+](C)CCOCC(=O)N1C[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@@]2(C)C1 ZINC001101432096 842498540 /nfs/dbraw/zinc/49/85/40/842498540.db2.gz AQQUZALTARVIGL-RKVPGOIHSA-N 2 0 352.479 -0.377 20 0 FBADRP C[NH+](C)CCOCC(=O)N1C[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@@]2(C)C1 ZINC001101432097 842498005 /nfs/dbraw/zinc/49/80/05/842498005.db2.gz AQQUZALTARVIGL-VKJFTORMSA-N 2 0 352.479 -0.377 20 0 FBADRP C[NH+](C)CCOCC(=O)N1C[C@H]2C[N@H+](CCn3cncn3)C[C@@]2(C)C1 ZINC001101432162 842499097 /nfs/dbraw/zinc/49/90/97/842499097.db2.gz FAPXFADSLYBTQD-WBVHZDCISA-N 2 0 350.467 -0.363 20 0 FBADRP CN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)COCC[NH+](C)C)C[C@]3(C)C2)C1=O ZINC001101432188 842498491 /nfs/dbraw/zinc/49/84/91/842498491.db2.gz GHBDSIUUZMRMHA-RKVPGOIHSA-N 2 0 352.479 -0.424 20 0 FBADRP CN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)COCC[NH+](C)C)C[C@]3(C)C2)C1=O ZINC001101432189 842499085 /nfs/dbraw/zinc/49/90/85/842499085.db2.gz GHBDSIUUZMRMHA-VKJFTORMSA-N 2 0 352.479 -0.424 20 0 FBADRP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432364 842498352 /nfs/dbraw/zinc/49/83/52/842498352.db2.gz OPDFMNKPFKWRMV-DAYGRLMNSA-N 2 0 354.495 -0.178 20 0 FBADRP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432365 842499036 /nfs/dbraw/zinc/49/90/36/842499036.db2.gz OPDFMNKPFKWRMV-RKVPGOIHSA-N 2 0 354.495 -0.178 20 0 FBADRP CCCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432434 842498910 /nfs/dbraw/zinc/49/89/10/842498910.db2.gz RMOBRVZRRVAOAM-QAPCUYQASA-N 2 0 354.495 -0.129 20 0 FBADRP C[NH+](C)CCOCC(=O)N1C[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@@]2(C)C1 ZINC001101432764 842498206 /nfs/dbraw/zinc/49/82/06/842498206.db2.gz ZCWPLWOBTLJWEO-KDOFPFPSSA-N 2 0 352.479 -0.377 20 0 FBADRP C[NH+](C)CCCCC(=O)N1C[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101435581 842498790 /nfs/dbraw/zinc/49/87/90/842498790.db2.gz XQGYZBOQZDFIOY-DYVFJYSZSA-N 2 0 353.467 -0.307 20 0 FBADRP CCC[N@H+](C)CCC(=O)N1C[C@H]2C[NH+](CC(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101440217 842499048 /nfs/dbraw/zinc/49/90/48/842499048.db2.gz LFRGMAZWXVKVKL-DYVFJYSZSA-N 2 0 353.467 -0.307 20 0 FBADRP CCC[N@H+](C)CC(=O)N1C[C@H]2C[NH+](CCNS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101443591 842498572 /nfs/dbraw/zinc/49/85/72/842498572.db2.gz LLNDLHRWIFLWML-ZBFHGGJFSA-N 2 0 360.524 -0.342 20 0 FBADRP CCC[N@H+](C)CC(=O)N1C[C@H]2C[NH+]([C@H]3CCC(=O)NC3=O)C[C@@]2(C)C1 ZINC001101443688 842498858 /nfs/dbraw/zinc/49/88/58/842498858.db2.gz OFLXFPUOYLYVPH-GLJUWKHASA-N 2 0 350.463 -0.086 20 0 FBADRP CCC[N@H+](C)CC(=O)N1C[C@H]2C[NH+]([C@@H]3CCC(=O)NC3=O)C[C@@]2(C)C1 ZINC001101443689 842498617 /nfs/dbraw/zinc/49/86/17/842498617.db2.gz OFLXFPUOYLYVPH-LBTNJELSSA-N 2 0 350.463 -0.086 20 0 FBADRP CCC[N@H+](C)CC(=O)N1C[C@H]2C[NH+]([C@@H](C)C(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101443933 842498682 /nfs/dbraw/zinc/49/86/82/842498682.db2.gz QKHPKEJJBDCVPR-AHIWAGSCSA-N 2 0 353.467 -0.308 20 0 FBADRP CCC[N@H+](C)CC(=O)N1C[C@H]2C[NH+]([C@H](C)C(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101443938 842498158 /nfs/dbraw/zinc/49/81/58/842498158.db2.gz QKHPKEJJBDCVPR-XNJGSVPQSA-N 2 0 353.467 -0.308 20 0 FBADRP CCC[N@H+](C)CC(=O)N1C[C@H]2C[NH+](CC(=O)NC(=O)NC)C[C@@]2(C)C1 ZINC001101444031 842499006 /nfs/dbraw/zinc/49/90/06/842499006.db2.gz UTCORNSMTKYECK-DYVFJYSZSA-N 2 0 353.467 -0.436 20 0 FBADRP CNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101460544 842501299 /nfs/dbraw/zinc/50/12/99/842501299.db2.gz KPKSOKBHPRNFBQ-AHIWAGSCSA-N 2 0 351.451 -0.826 20 0 FBADRP CNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101460545 842502180 /nfs/dbraw/zinc/50/21/80/842502180.db2.gz KPKSOKBHPRNFBQ-XNJGSVPQSA-N 2 0 351.451 -0.826 20 0 FBADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3C[NH+](CCNS(C)(=O)=O)C[C@@]3(C)C2)C1 ZINC001101460839 842502001 /nfs/dbraw/zinc/50/20/01/842502001.db2.gz ZGJOCYYJXVHZAW-FMKPAKJESA-N 2 0 358.508 -0.732 20 0 FBADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3C[NH+](CCNS(C)(=O)=O)C[C@@]3(C)C2)C1 ZINC001101460840 842501356 /nfs/dbraw/zinc/50/13/56/842501356.db2.gz ZGJOCYYJXVHZAW-LZWOXQAQSA-N 2 0 358.508 -0.732 20 0 FBADRP C[C@]12CN(C(=O)C[NH+]3CCCC3)C[C@H]1C[N@H+](CCNS(C)(=O)=O)C2 ZINC001101461679 842501891 /nfs/dbraw/zinc/50/18/91/842501891.db2.gz OFWZDGSRPDWDNB-ZBFHGGJFSA-N 2 0 358.508 -0.588 20 0 FBADRP CNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101461760 842503597 /nfs/dbraw/zinc/50/35/97/842503597.db2.gz SEERDCFRMZJFER-DYVFJYSZSA-N 2 0 351.451 -0.682 20 0 FBADRP C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101461828 842503035 /nfs/dbraw/zinc/50/30/35/842503035.db2.gz VJYQBACGUAKJKZ-AHIWAGSCSA-N 2 0 351.451 -0.554 20 0 FBADRP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101461829 842503844 /nfs/dbraw/zinc/50/38/44/842503844.db2.gz VJYQBACGUAKJKZ-XNJGSVPQSA-N 2 0 351.451 -0.554 20 0 FBADRP CC(C)[N@H+](C)CC(=O)N1C[C@H]2C[NH+]([C@@H](C)C(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101476305 842509375 /nfs/dbraw/zinc/50/93/75/842509375.db2.gz NBBKYGFSZIJYPD-AHIWAGSCSA-N 2 0 353.467 -0.310 20 0 FBADRP CC(C)[N@H+](C)CC(=O)N1C[C@H]2C[NH+]([C@H](C)C(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101476306 842509707 /nfs/dbraw/zinc/50/97/07/842509707.db2.gz NBBKYGFSZIJYPD-XNJGSVPQSA-N 2 0 353.467 -0.310 20 0 FBADRP CC(C)[N@H+](C)CC(=O)N1C[C@H]2C[NH+]([C@H]3CCC(=O)NC3=O)C[C@@]2(C)C1 ZINC001101477350 842509328 /nfs/dbraw/zinc/50/93/28/842509328.db2.gz PMFVGNXQMHSVQU-GLJUWKHASA-N 2 0 350.463 -0.088 20 0 FBADRP CC(C)[N@H+](C)CC(=O)N1C[C@H]2C[NH+]([C@@H]3CCC(=O)NC3=O)C[C@@]2(C)C1 ZINC001101477351 842510002 /nfs/dbraw/zinc/51/00/02/842510002.db2.gz PMFVGNXQMHSVQU-LBTNJELSSA-N 2 0 350.463 -0.088 20 0 FBADRP CNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@]2(C)C1 ZINC001101477455 842509583 /nfs/dbraw/zinc/50/95/83/842509583.db2.gz VGTURJDIRXMVJW-DYVFJYSZSA-N 2 0 353.467 -0.438 20 0 FBADRP CC(C)[N@H+](C)CC(=O)N1C[C@H]2C[NH+](CCNS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101478316 842509643 /nfs/dbraw/zinc/50/96/43/842509643.db2.gz IWNWDOBLWAIWQO-ZBFHGGJFSA-N 2 0 360.524 -0.344 20 0 FBADRP CC(=O)NCCOCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001101815540 842533511 /nfs/dbraw/zinc/53/35/11/842533511.db2.gz KCDKOCVFDCZRER-DJIMGWMZSA-N 2 0 354.495 -0.083 20 0 FBADRP CC(=O)NCCOCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001101815541 842532469 /nfs/dbraw/zinc/53/24/69/842532469.db2.gz KCDKOCVFDCZRER-OIISXLGYSA-N 2 0 354.495 -0.083 20 0 FBADRP C[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001101815605 842532281 /nfs/dbraw/zinc/53/22/81/842532281.db2.gz MCYVFWAIJKVLEE-KFWWJZLASA-N 2 0 360.524 -0.344 20 0 FBADRP C[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001101815606 842533138 /nfs/dbraw/zinc/53/31/38/842533138.db2.gz MCYVFWAIJKVLEE-RBSFLKMASA-N 2 0 360.524 -0.344 20 0 FBADRP CCS(=O)(=O)NCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001101815722 842533484 /nfs/dbraw/zinc/53/34/84/842533484.db2.gz PWKYGHPSGLVBRS-KFWWJZLASA-N 2 0 360.524 -0.296 20 0 FBADRP CCS(=O)(=O)NCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001101815723 842532611 /nfs/dbraw/zinc/53/26/11/842532611.db2.gz PWKYGHPSGLVBRS-RBSFLKMASA-N 2 0 360.524 -0.296 20 0 FBADRP CCNC(=O)NC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001101819745 842534736 /nfs/dbraw/zinc/53/47/36/842534736.db2.gz SPTYHTAVTIDHEG-MCIONIFRSA-N 2 0 353.467 -0.390 20 0 FBADRP CCNC(=O)NC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001101819746 842534057 /nfs/dbraw/zinc/53/40/57/842534057.db2.gz SPTYHTAVTIDHEG-MGPQQGTHSA-N 2 0 353.467 -0.390 20 0 FBADRP CCOCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001101819789 842534359 /nfs/dbraw/zinc/53/43/59/842534359.db2.gz UMORTPRLECNGJI-BZUAXINKSA-N 2 0 354.495 -0.083 20 0 FBADRP CCOCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001101819790 842535352 /nfs/dbraw/zinc/53/53/52/842535352.db2.gz UMORTPRLECNGJI-OAGGEKHMSA-N 2 0 354.495 -0.083 20 0 FBADRP COCCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001101819909 842534407 /nfs/dbraw/zinc/53/44/07/842534407.db2.gz XLEMURMBXZUYSM-BZUAXINKSA-N 2 0 354.495 -0.083 20 0 FBADRP COCCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001101819910 842534572 /nfs/dbraw/zinc/53/45/72/842534572.db2.gz XLEMURMBXZUYSM-OAGGEKHMSA-N 2 0 354.495 -0.083 20 0 FBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1C ZINC001101958921 842556745 /nfs/dbraw/zinc/55/67/45/842556745.db2.gz XNCAHGMCAKLGAK-MCIONIFRSA-N 2 0 353.467 -0.262 20 0 FBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1C ZINC001101958922 842557210 /nfs/dbraw/zinc/55/72/10/842557210.db2.gz XNCAHGMCAKLGAK-MGPQQGTHSA-N 2 0 353.467 -0.262 20 0 FBADRP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001101976304 842560449 /nfs/dbraw/zinc/56/04/49/842560449.db2.gz WLEXTXRQWCFBQT-BNOWGMLFSA-N 2 0 351.451 -0.793 20 0 FBADRP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001101976305 842559390 /nfs/dbraw/zinc/55/93/90/842559390.db2.gz WLEXTXRQWCFBQT-MRVWCRGKSA-N 2 0 351.451 -0.793 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[NH+](CCNS(C)(=O)=O)C[C@H]2C)CC[N@@H+]1C ZINC001101982664 842561694 /nfs/dbraw/zinc/56/16/94/842561694.db2.gz CHDKKWWWDRBLHK-LVQVYYBASA-N 2 0 374.551 -0.050 20 0 FBADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@H]2C)CC[NH+]1C ZINC001101982806 842561389 /nfs/dbraw/zinc/56/13/89/842561389.db2.gz KDXLVIWNIVDDNO-KBUPBQIOSA-N 2 0 360.524 -0.440 20 0 FBADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]2C)CC[NH+]1C ZINC001101982845 842561214 /nfs/dbraw/zinc/56/12/14/842561214.db2.gz MOAMDKBODGIHNJ-KLHDSHLOSA-N 2 0 374.551 -0.098 20 0 FBADRP CNC(=O)NC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](C)C1 ZINC001101982873 842562437 /nfs/dbraw/zinc/56/24/37/842562437.db2.gz OWASVEOYWGZLLK-AAVRWANBSA-N 2 0 353.467 -0.534 20 0 FBADRP CCS(=O)(=O)NCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](C)C1 ZINC001101982918 842562245 /nfs/dbraw/zinc/56/22/45/842562245.db2.gz RSTJAYXYKXZZSM-KLHDSHLOSA-N 2 0 374.551 -0.050 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[NH+](CC(=O)NC(N)=O)C[C@H]2C)CC[N@@H+]1C ZINC001101982973 842562134 /nfs/dbraw/zinc/56/21/34/842562134.db2.gz VKVZHRXIUGPCOS-YIYPIFLZSA-N 2 0 353.467 -0.404 20 0 FBADRP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001102015463 842569004 /nfs/dbraw/zinc/56/90/04/842569004.db2.gz GOTYXWQTUKILNE-JHJVBQTASA-N 2 0 359.446 -0.455 20 0 FBADRP CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001102015464 842569709 /nfs/dbraw/zinc/56/97/09/842569709.db2.gz GOTYXWQTUKILNE-UPJWGTAASA-N 2 0 359.446 -0.455 20 0 FBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1C ZINC001102021631 842576280 /nfs/dbraw/zinc/57/62/80/842576280.db2.gz VEDYXMWZTVYFIZ-MCIONIFRSA-N 2 0 353.467 -0.260 20 0 FBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1C ZINC001102021632 842576566 /nfs/dbraw/zinc/57/65/66/842576566.db2.gz VEDYXMWZTVYFIZ-MGPQQGTHSA-N 2 0 353.467 -0.260 20 0 FBADRP C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](CNC(=O)C2([NH+](C)C)CCC2)[C@H](C)C1 ZINC001102045167 842580289 /nfs/dbraw/zinc/58/02/89/842580289.db2.gz UVULFXRQIUAKKM-FRRDWIJNSA-N 2 0 353.467 -0.262 20 0 FBADRP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](CNC(=O)C2([NH+](C)C)CCC2)[C@H](C)C1 ZINC001102045168 842579668 /nfs/dbraw/zinc/57/96/68/842579668.db2.gz UVULFXRQIUAKKM-JHJVBQTASA-N 2 0 353.467 -0.262 20 0 FBADRP CNC(=O)NC(=O)C[N@H+]1C[C@@H](CNC(=O)C2([NH+](C)C)CCC2)[C@H](C)C1 ZINC001102045876 842579811 /nfs/dbraw/zinc/57/98/11/842579811.db2.gz ALCHRNIHIBDCJQ-CHWSQXEVSA-N 2 0 353.467 -0.390 20 0 FBADRP C[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001102045970 842579353 /nfs/dbraw/zinc/57/93/53/842579353.db2.gz FOFYSLXVZMZLRR-MCIONIFRSA-N 2 0 350.463 -0.040 20 0 FBADRP C[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001102045971 842579833 /nfs/dbraw/zinc/57/98/33/842579833.db2.gz FOFYSLXVZMZLRR-MGPQQGTHSA-N 2 0 350.463 -0.040 20 0 FBADRP C[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001102047283 842579947 /nfs/dbraw/zinc/57/99/47/842579947.db2.gz ASNXSLGAZJUBMS-KYOSRNDESA-N 2 0 350.467 -0.367 20 0 FBADRP C[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001102047284 842580909 /nfs/dbraw/zinc/58/09/09/842580909.db2.gz ASNXSLGAZJUBMS-UXIGCNINSA-N 2 0 350.467 -0.367 20 0 FBADRP CNC(=O)NC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)[NH+](C)C)[C@H](C)C1 ZINC001102047510 842582208 /nfs/dbraw/zinc/58/22/08/842582208.db2.gz JMZUNRXVMDGPDK-KYOSRNDESA-N 2 0 353.467 -0.534 20 0 FBADRP CNC(=O)NC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)[NH+](C)C)[C@H](C)C1 ZINC001102047511 842581625 /nfs/dbraw/zinc/58/16/25/842581625.db2.gz JMZUNRXVMDGPDK-UXIGCNINSA-N 2 0 353.467 -0.534 20 0 FBADRP C[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001102047931 842581758 /nfs/dbraw/zinc/58/17/58/842581758.db2.gz YOBUGMZEUFHJBM-ZIAGYGMSSA-N 2 0 360.524 -0.296 20 0 FBADRP C[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001102048547 842582013 /nfs/dbraw/zinc/58/20/13/842582013.db2.gz GFKCNZQVBWFFCR-BPLDGKMQSA-N 2 0 360.524 -0.440 20 0 FBADRP C[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001102048548 842581569 /nfs/dbraw/zinc/58/15/69/842581569.db2.gz GFKCNZQVBWFFCR-YUELXQCFSA-N 2 0 360.524 -0.440 20 0 FBADRP C[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001102051686 842581380 /nfs/dbraw/zinc/58/13/80/842581380.db2.gz FXACYJSCFGIGDB-ZIAGYGMSSA-N 2 0 360.524 -0.296 20 0 FBADRP CNC(=O)NC(=O)C[N@H+]1C[C@@H](CNC(=O)C[NH+](C)C2CCC2)[C@H](C)C1 ZINC001102051694 842581684 /nfs/dbraw/zinc/58/16/84/842581684.db2.gz GQSFRFPJTRSVBN-CHWSQXEVSA-N 2 0 353.467 -0.390 20 0 FBADRP C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](CNC(=O)C[NH+](C)C2CCC2)[C@H](C)C1 ZINC001102051726 842581043 /nfs/dbraw/zinc/58/10/43/842581043.db2.gz ITTOSICCVOXJME-FRRDWIJNSA-N 2 0 353.467 -0.262 20 0 FBADRP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](CNC(=O)C[NH+](C)C2CCC2)[C@H](C)C1 ZINC001102051727 842582176 /nfs/dbraw/zinc/58/21/76/842582176.db2.gz ITTOSICCVOXJME-JHJVBQTASA-N 2 0 353.467 -0.262 20 0 FBADRP C[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001102051828 842581185 /nfs/dbraw/zinc/58/11/85/842581185.db2.gz OVWSLCZWBVDALS-NFAWXSAZSA-N 2 0 350.463 -0.040 20 0 FBADRP C[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001102051829 842581894 /nfs/dbraw/zinc/58/18/94/842581894.db2.gz OVWSLCZWBVDALS-UMVBOHGHSA-N 2 0 350.463 -0.040 20 0 FBADRP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001102059144 842583448 /nfs/dbraw/zinc/58/34/48/842583448.db2.gz CWNCHTOABYYOHP-MCIONIFRSA-N 2 0 353.467 -0.260 20 0 FBADRP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001102059145 842583590 /nfs/dbraw/zinc/58/35/90/842583590.db2.gz CWNCHTOABYYOHP-MGPQQGTHSA-N 2 0 353.467 -0.260 20 0 FBADRP CNC(=O)NC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[C@H](C)C1 ZINC001102070561 842585622 /nfs/dbraw/zinc/58/56/22/842585622.db2.gz NINYMZSQHMDCFV-NFAWXSAZSA-N 2 0 355.483 -0.288 20 0 FBADRP CC(C)[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C)[NH+](C)C ZINC001102071007 842585567 /nfs/dbraw/zinc/58/55/67/842585567.db2.gz ZHVNUPYSKZWAPJ-NFAWXSAZSA-N 2 0 352.483 -0.121 20 0 FBADRP CC(C)[C@@H](C(=O)NC[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1C)[NH+](C)C ZINC001102071303 842584589 /nfs/dbraw/zinc/58/45/89/842584589.db2.gz JNPRMQMDYITYII-KFWWJZLASA-N 2 0 362.540 -0.194 20 0 FBADRP CNC(=O)C[N@H+]1C[C@@H](CNC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC001102086014 842586953 /nfs/dbraw/zinc/58/69/53/842586953.db2.gz MVEDGDWHVQYYKX-HUUCEWRRSA-N 2 0 354.495 -0.225 20 0 FBADRP C[C@@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC001102086051 842586159 /nfs/dbraw/zinc/58/61/59/842586159.db2.gz OHDNDJYAGNITDX-QLFBSQMISA-N 2 0 354.495 -0.097 20 0 FBADRP C[C@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC001102086052 842587055 /nfs/dbraw/zinc/58/70/55/842587055.db2.gz OHDNDJYAGNITDX-RBSFLKMASA-N 2 0 354.495 -0.097 20 0 FBADRP CC[C@H](C(=O)NC[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1C)[NH+](C)C ZINC001102087899 842587357 /nfs/dbraw/zinc/58/73/57/842587357.db2.gz AMDOUJUVDMKQTK-MGPQQGTHSA-N 2 0 353.467 -0.438 20 0 FBADRP CC[C@H](C(=O)NC[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1C)[NH+](C)C ZINC001102087967 842586682 /nfs/dbraw/zinc/58/66/82/842586682.db2.gz FMDNQFMDOULXHF-RBSFLKMASA-N 2 0 362.540 -0.098 20 0 FBADRP CCNC(=O)NC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)[C@H](C)C1 ZINC001102087992 842586568 /nfs/dbraw/zinc/58/65/68/842586568.db2.gz GOPJKABVBGAIMW-MGPQQGTHSA-N 2 0 355.483 -0.144 20 0 FBADRP CC[C@H](C(=O)NC[C@@H]1C[N@H+](CCNS(=O)(=O)CC)C[C@H]1C)[NH+](C)C ZINC001102088460 842586936 /nfs/dbraw/zinc/58/69/36/842586936.db2.gz WKKLTCBHIPNRPA-RBSFLKMASA-N 2 0 362.540 -0.050 20 0 FBADRP CC[C@H](C(=O)NC[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1C)[NH+](C)C ZINC001102088491 842586830 /nfs/dbraw/zinc/58/68/30/842586830.db2.gz YALRSELWABODCY-BZUAXINKSA-N 2 0 354.495 -0.131 20 0 FBADRP CNC(=O)NC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)[C@H](C)C1 ZINC001102090989 842586345 /nfs/dbraw/zinc/58/63/45/842586345.db2.gz MUHKDNXNVMZCFN-MCIONIFRSA-N 2 0 353.467 -0.390 20 0 FBADRP CNC(=O)NC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)[C@H](C)C1 ZINC001102090990 842586650 /nfs/dbraw/zinc/58/66/50/842586650.db2.gz MUHKDNXNVMZCFN-MGPQQGTHSA-N 2 0 353.467 -0.390 20 0 FBADRP C[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001102091231 842588381 /nfs/dbraw/zinc/58/83/81/842588381.db2.gz YIACFKAIJQEAII-KFWWJZLASA-N 2 0 360.524 -0.296 20 0 FBADRP C[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001102091232 842588652 /nfs/dbraw/zinc/58/86/52/842588652.db2.gz YIACFKAIJQEAII-RBSFLKMASA-N 2 0 360.524 -0.296 20 0 FBADRP CC[N@H+](C)C(C)(C)C(=O)NC[C@@H]1C[NH+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001102101229 842591917 /nfs/dbraw/zinc/59/19/17/842591917.db2.gz STCSBKKJOIMGHW-FRRDWIJNSA-N 2 0 355.483 -0.016 20 0 FBADRP CC[N@H+](C)C(C)(C)C(=O)NC[C@@H]1C[NH+]([C@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001102101230 842590878 /nfs/dbraw/zinc/59/08/78/842590878.db2.gz STCSBKKJOIMGHW-JHJVBQTASA-N 2 0 355.483 -0.016 20 0 FBADRP CC[N@H+](C)C(C)(C)C(=O)NC[C@@H]1C[NH+](CCNS(C)(=O)=O)C[C@H]1C ZINC001102101247 842591111 /nfs/dbraw/zinc/59/11/11/842591111.db2.gz UKNKRGUTMCGTHB-ZIAGYGMSSA-N 2 0 362.540 -0.050 20 0 FBADRP CC[N@H+](C)C(C)(C)C(=O)NC[C@@H]1C[NH+](CC(=O)NC(=O)NC)C[C@H]1C ZINC001102104153 842591256 /nfs/dbraw/zinc/59/12/56/842591256.db2.gz IHLBIOMTQHWYCL-CHWSQXEVSA-N 2 0 355.483 -0.144 20 0 FBADRP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001102119411 842596012 /nfs/dbraw/zinc/59/60/12/842596012.db2.gz KNECNGVDAGAGAC-CHWSQXEVSA-N 2 0 351.451 -0.506 20 0 FBADRP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001102215732 842608954 /nfs/dbraw/zinc/60/89/54/842608954.db2.gz WMJSUABNLBMACN-CHWSQXEVSA-N 2 0 353.467 -0.260 20 0 FBADRP CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@H](C)C1 ZINC001102273476 842613784 /nfs/dbraw/zinc/61/37/84/842613784.db2.gz CMHLVRQKFRUFLU-BZUAXINKSA-N 2 0 354.495 -0.084 20 0 FBADRP CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@H](C)C1 ZINC001102273477 842613644 /nfs/dbraw/zinc/61/36/44/842613644.db2.gz CMHLVRQKFRUFLU-OAGGEKHMSA-N 2 0 354.495 -0.084 20 0 FBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](CCOCCO)C[C@H]2C)C1 ZINC001102273538 842612983 /nfs/dbraw/zinc/61/29/83/842612983.db2.gz FYUDEYLIPDCFBE-BRWVUGGUSA-N 2 0 357.495 -0.211 20 0 FBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](CCOCCO)C[C@H]2C)C1 ZINC001102273539 842613071 /nfs/dbraw/zinc/61/30/71/842613071.db2.gz FYUDEYLIPDCFBE-ZACQAIPSSA-N 2 0 357.495 -0.211 20 0 FBADRP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001102276431 842613349 /nfs/dbraw/zinc/61/33/49/842613349.db2.gz OOSLENXQFWGBGS-ZOBORPQBSA-N 2 0 353.467 -0.404 20 0 FBADRP C[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001102286880 842613301 /nfs/dbraw/zinc/61/33/01/842613301.db2.gz BEEATXQWNABNHZ-CHWSQXEVSA-N 2 0 350.467 -0.366 20 0 FBADRP CNC(=O)NC(=O)C[N@H+]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001102288604 842614819 /nfs/dbraw/zinc/61/48/19/842614819.db2.gz LYDVMHAFMZAJKF-CHWSQXEVSA-N 2 0 353.467 -0.532 20 0 FBADRP C[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001102289977 842614739 /nfs/dbraw/zinc/61/47/39/842614739.db2.gz VXMBQOKBVDFAFX-MCIONIFRSA-N 2 0 350.463 -0.183 20 0 FBADRP C[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001102289978 842614608 /nfs/dbraw/zinc/61/46/08/842614608.db2.gz VXMBQOKBVDFAFX-MGPQQGTHSA-N 2 0 350.463 -0.183 20 0 FBADRP C[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001102290406 842614945 /nfs/dbraw/zinc/61/49/45/842614945.db2.gz COYDGGDKZVRRMS-ZIAGYGMSSA-N 2 0 360.524 -0.439 20 0 FBADRP C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001102290511 842614909 /nfs/dbraw/zinc/61/49/09/842614909.db2.gz HUPOXBMXAHWMDX-FRRDWIJNSA-N 2 0 353.467 -0.404 20 0 FBADRP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001102290512 842615663 /nfs/dbraw/zinc/61/56/63/842615663.db2.gz HUPOXBMXAHWMDX-JHJVBQTASA-N 2 0 353.467 -0.404 20 0 FBADRP C[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102292282 842615469 /nfs/dbraw/zinc/61/54/69/842615469.db2.gz HKHFAZMQZQNJJU-HZPDHXFCSA-N 2 0 354.495 -0.129 20 0 FBADRP C[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102292410 842615604 /nfs/dbraw/zinc/61/56/04/842615604.db2.gz MAIHXFOODFZXPG-HUUCEWRRSA-N 2 0 362.540 -0.096 20 0 FBADRP CCNC(=O)NC(=O)C[N@H+]1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102292422 842615120 /nfs/dbraw/zinc/61/51/20/842615120.db2.gz MRDKZZCLPJCGLO-ZIAGYGMSSA-N 2 0 355.483 -0.142 20 0 FBADRP CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102294041 842615354 /nfs/dbraw/zinc/61/53/54/842615354.db2.gz FFJLEPGTGGAQRZ-HZSPNIEDSA-N 2 0 355.483 -0.144 20 0 FBADRP CNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102294042 842615430 /nfs/dbraw/zinc/61/54/30/842615430.db2.gz FFJLEPGTGGAQRZ-MGPQQGTHSA-N 2 0 355.483 -0.144 20 0 FBADRP C[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102294257 842615102 /nfs/dbraw/zinc/61/51/02/842615102.db2.gz QCDNBILEBREQIH-ZIAGYGMSSA-N 2 0 353.467 -0.436 20 0 FBADRP CCS(=O)(=O)NCC[N@H+]1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102294462 842614758 /nfs/dbraw/zinc/61/47/58/842614758.db2.gz ZISPGWFNONLQCF-HUUCEWRRSA-N 2 0 362.540 -0.048 20 0 FBADRP CNC(=O)NC(=O)C[N@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102312715 842618149 /nfs/dbraw/zinc/61/81/49/842618149.db2.gz JLFKOQJOSBCMHW-TZMCWYRMSA-N 2 0 353.467 -0.532 20 0 FBADRP C[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001102312746 842618220 /nfs/dbraw/zinc/61/82/20/842618220.db2.gz LEGJNZZSVRCHSG-UKRRQHHQSA-N 2 0 360.524 -0.439 20 0 FBADRP CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102312774 842617894 /nfs/dbraw/zinc/61/78/94/842617894.db2.gz MWKGGIGCMBMXGY-HZSPNIEDSA-N 2 0 355.483 -0.144 20 0 FBADRP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102312775 842618173 /nfs/dbraw/zinc/61/81/73/842618173.db2.gz MWKGGIGCMBMXGY-MGPQQGTHSA-N 2 0 355.483 -0.144 20 0 FBADRP C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102312945 842617963 /nfs/dbraw/zinc/61/79/63/842617963.db2.gz VUNYTFXKNOXJNA-MBNYWOFBSA-N 2 0 353.467 -0.404 20 0 FBADRP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102312946 842618353 /nfs/dbraw/zinc/61/83/53/842618353.db2.gz VUNYTFXKNOXJNA-YRGRVCCFSA-N 2 0 353.467 -0.404 20 0 FBADRP C[C@@H]1C[N@H+](CC(=O)NC2CCOCC2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102314376 842618371 /nfs/dbraw/zinc/61/83/71/842618371.db2.gz DWOYDXYRBNYUPX-HUUCEWRRSA-N 2 0 354.495 -0.083 20 0 FBADRP C[C@@H]1C[N@H+](CC(=O)NC[C@H]2CCCO2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102318669 842618503 /nfs/dbraw/zinc/61/85/03/842618503.db2.gz DTSVOQQKBYTRFB-BZUAXINKSA-N 2 0 354.495 -0.083 20 0 FBADRP C[C@@H]1C[N@H+](CC(=O)NC[C@@H]2CCCO2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102318670 842617765 /nfs/dbraw/zinc/61/77/65/842617765.db2.gz DTSVOQQKBYTRFB-OAGGEKHMSA-N 2 0 354.495 -0.083 20 0 FBADRP CCCNC(=O)NC(=O)C[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102318758 842617626 /nfs/dbraw/zinc/61/76/26/842617626.db2.gz IRICCPMZZCKQTD-ZIAGYGMSSA-N 2 0 355.483 -0.142 20 0 FBADRP CCS(=O)(=O)NCCC[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102318774 842617673 /nfs/dbraw/zinc/61/76/73/842617673.db2.gz JHHJGSUSFMXPNG-HUUCEWRRSA-N 2 0 362.540 -0.048 20 0 FBADRP C[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102318944 842617941 /nfs/dbraw/zinc/61/79/41/842617941.db2.gz RGZIKHRJJWGDPF-HUUCEWRRSA-N 2 0 360.524 -0.342 20 0 FBADRP C[C@@H]1C[N@H+](CC(=O)NC(=O)NC2CC2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102318964 842618181 /nfs/dbraw/zinc/61/81/81/842618181.db2.gz SGBYVJDYAKELHA-CHWSQXEVSA-N 2 0 353.467 -0.390 20 0 FBADRP C[C@@H]1C[N@H+](C[C@H](O)CN2CCCC2=O)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102319045 842618134 /nfs/dbraw/zinc/61/81/34/842618134.db2.gz WMSGEUCXIRILMP-OAGGEKHMSA-N 2 0 354.495 -0.395 20 0 FBADRP C[C@@H]1C[N@H+](CCCS(=O)(=O)N(C)C)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102320562 842617931 /nfs/dbraw/zinc/61/79/31/842617931.db2.gz IMRHVYLKQPJWCI-HUUCEWRRSA-N 2 0 362.540 -0.096 20 0 FBADRP C[C@@H]1C[N@H+](CC(=O)NC[C@H]2CCOC2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102320579 842618421 /nfs/dbraw/zinc/61/84/21/842618421.db2.gz JHGVYRQJIQPQHZ-BZUAXINKSA-N 2 0 354.495 -0.225 20 0 FBADRP C[C@@H]1C[N@H+](CC(=O)NC[C@@H]2CCOC2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102320580 842617910 /nfs/dbraw/zinc/61/79/10/842617910.db2.gz JHGVYRQJIQPQHZ-OWCLPIDISA-N 2 0 354.495 -0.225 20 0 FBADRP C[C@@H]1C[N@H+](CCCN2C(=O)CNC2=O)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102320763 842618204 /nfs/dbraw/zinc/61/82/04/842618204.db2.gz RSZPFGPXHODIIF-ZIAGYGMSSA-N 2 0 353.467 -0.436 20 0 FBADRP C[C@@H]1C[N@H+](CC(=O)N2CCO[C@H](C)C2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102320903 842618046 /nfs/dbraw/zinc/61/80/46/842618046.db2.gz YOKAZHJJWOETIW-BZUAXINKSA-N 2 0 354.495 -0.131 20 0 FBADRP C[C@@H]1C[N@H+](CC(=O)N2CCO[C@@H](C)C2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102320904 842617480 /nfs/dbraw/zinc/61/74/80/842617480.db2.gz YOKAZHJJWOETIW-OWCLPIDISA-N 2 0 354.495 -0.131 20 0 FBADRP CC(C)[C@H](C(=O)NC[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1C)[NH+](C)C ZINC001102330222 842619058 /nfs/dbraw/zinc/61/90/58/842619058.db2.gz JNPRMQMDYITYII-RBSFLKMASA-N 2 0 362.540 -0.194 20 0 FBADRP CNC(=O)NC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](C)C1 ZINC001102330290 842619151 /nfs/dbraw/zinc/61/91/51/842619151.db2.gz NINYMZSQHMDCFV-UMVBOHGHSA-N 2 0 355.483 -0.288 20 0 FBADRP CC(C)[C@H](C(=O)NC[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C)[NH+](C)C ZINC001102337929 842620110 /nfs/dbraw/zinc/62/01/10/842620110.db2.gz ZHVNUPYSKZWAPJ-UMVBOHGHSA-N 2 0 352.483 -0.121 20 0 FBADRP CC[C@@H](C(=O)NC[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C)[NH+](CC)CC ZINC001102358077 842620900 /nfs/dbraw/zinc/62/09/00/842620900.db2.gz VVZUIUKIIANPQI-MCIONIFRSA-N 2 0 355.483 -0.014 20 0 FBADRP CC[C@H](C(=O)NC[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C)[NH+](CC)CC ZINC001102358078 842622086 /nfs/dbraw/zinc/62/20/86/842622086.db2.gz VVZUIUKIIANPQI-MGPQQGTHSA-N 2 0 355.483 -0.014 20 0 FBADRP CNC(=O)NC(=O)C[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCC[C@@H]2C)[C@H](C)C1 ZINC001102366636 842621319 /nfs/dbraw/zinc/62/13/19/842621319.db2.gz MCDBYPFFQPZZNQ-HZSPNIEDSA-N 2 0 353.467 -0.390 20 0 FBADRP CNC(=O)NC(=O)C[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCC[C@H]2C)[C@H](C)C1 ZINC001102366637 842621408 /nfs/dbraw/zinc/62/14/08/842621408.db2.gz MCDBYPFFQPZZNQ-MGPQQGTHSA-N 2 0 353.467 -0.390 20 0 FBADRP C[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001102368254 842621483 /nfs/dbraw/zinc/62/14/83/842621483.db2.gz MYAVURLGSBFMNG-QLFBSQMISA-N 2 0 360.524 -0.296 20 0 FBADRP C[C@@H]1CCC[NH+]1CC(=O)NC[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1C ZINC001102368255 842621047 /nfs/dbraw/zinc/62/10/47/842621047.db2.gz MYAVURLGSBFMNG-RBSFLKMASA-N 2 0 360.524 -0.296 20 0 FBADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2C[NH+](CCNS(C)(=O)=O)C[C@H]2C)C1 ZINC001102369882 842621514 /nfs/dbraw/zinc/62/15/14/842621514.db2.gz JNZRKRPFIBCKRS-RBSFLKMASA-N 2 0 360.524 -0.439 20 0 FBADRP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2C[NH+](CCNS(C)(=O)=O)C[C@H]2C)C1 ZINC001102369883 842621449 /nfs/dbraw/zinc/62/14/49/842621449.db2.gz JNZRKRPFIBCKRS-RRFJBIMHSA-N 2 0 360.524 -0.439 20 0 FBADRP CNC(=O)NC(=O)C[N@H+]1C[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)[C@H](C)C1 ZINC001102370322 842624068 /nfs/dbraw/zinc/62/40/68/842624068.db2.gz WYGYSNWTPQKJIS-BFHYXJOUSA-N 2 0 353.467 -0.532 20 0 FBADRP CNC(=O)NC(=O)C[N@H+]1C[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102370323 842622583 /nfs/dbraw/zinc/62/25/83/842622583.db2.gz WYGYSNWTPQKJIS-MGPQQGTHSA-N 2 0 353.467 -0.532 20 0 FBADRP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001102375265 842623385 /nfs/dbraw/zinc/62/33/85/842623385.db2.gz AKTUSBLIFXEAHB-CHWSQXEVSA-N 2 0 355.483 -0.157 20 0 FBADRP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001102375378 842623682 /nfs/dbraw/zinc/62/36/82/842623682.db2.gz FQCCPAVKJPYHPH-CHWSQXEVSA-N 2 0 353.467 -0.403 20 0 FBADRP CC[C@@H](C(=O)NC[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1C)[NH+](C)C ZINC001102377747 842622961 /nfs/dbraw/zinc/62/29/61/842622961.db2.gz FMDNQFMDOULXHF-KFWWJZLASA-N 2 0 362.540 -0.098 20 0 FBADRP CCNC(=O)NC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)[C@H](C)C1 ZINC001102377852 842622730 /nfs/dbraw/zinc/62/27/30/842622730.db2.gz GOPJKABVBGAIMW-MCIONIFRSA-N 2 0 355.483 -0.144 20 0 FBADRP CC[C@@H](C(=O)NC[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1C)[NH+](C)C ZINC001102378468 842622705 /nfs/dbraw/zinc/62/27/05/842622705.db2.gz YALRSELWABODCY-OAGGEKHMSA-N 2 0 354.495 -0.131 20 0 FBADRP CC[C@@H](C(=O)NC[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1C)[NH+](C)C ZINC001102381754 842623042 /nfs/dbraw/zinc/62/30/42/842623042.db2.gz AMDOUJUVDMKQTK-MCIONIFRSA-N 2 0 353.467 -0.438 20 0 FBADRP CC[C@@H](C(=O)NC[C@@H]1C[N@H+](CCNS(=O)(=O)CC)C[C@H]1C)[NH+](C)C ZINC001102382269 842623616 /nfs/dbraw/zinc/62/36/16/842623616.db2.gz WKKLTCBHIPNRPA-KFWWJZLASA-N 2 0 362.540 -0.050 20 0 FBADRP CNC(=O)C[N@H+]1C[C@@H](CNC(=O)COC[C@@H](C)[NH+]2CCCC2)[C@H](C)C1 ZINC001102385051 842623361 /nfs/dbraw/zinc/62/33/61/842623361.db2.gz PMKRTWMRIRZXJA-BZUAXINKSA-N 2 0 354.495 -0.083 20 0 FBADRP CNC(=O)C[N@H+]1C[C@@H](CNC(=O)COC[C@H](C)[NH+]2CCCC2)[C@H](C)C1 ZINC001102385052 842623149 /nfs/dbraw/zinc/62/31/49/842623149.db2.gz PMKRTWMRIRZXJA-OWCLPIDISA-N 2 0 354.495 -0.083 20 0 FBADRP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001102434011 842631191 /nfs/dbraw/zinc/63/11/91/842631191.db2.gz LAVYKVVHKUDCDY-TZMCWYRMSA-N 2 0 353.467 -0.403 20 0 FBADRP CCNC(=O)NC(=O)C[N@H+]1C[C@@H](CNC(=O)C[NH+](CC)CC)[C@H](C)C1 ZINC001102473532 842640355 /nfs/dbraw/zinc/64/03/55/842640355.db2.gz DUGNNTFJJPADKB-ZIAGYGMSSA-N 2 0 355.483 -0.142 20 0 FBADRP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1C ZINC001102473837 842640820 /nfs/dbraw/zinc/64/08/20/842640820.db2.gz SNVFKRXWPDQLRK-HZPDHXFCSA-N 2 0 354.495 -0.129 20 0 FBADRP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1C ZINC001102475399 842640796 /nfs/dbraw/zinc/64/07/96/842640796.db2.gz MYDLMDVCMGPFIW-HUUCEWRRSA-N 2 0 362.540 -0.096 20 0 FBADRP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001102475585 842640929 /nfs/dbraw/zinc/64/09/29/842640929.db2.gz UXPQEEFQKVBVIZ-HZSPNIEDSA-N 2 0 355.483 -0.144 20 0 FBADRP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001102475586 842640247 /nfs/dbraw/zinc/64/02/47/842640247.db2.gz UXPQEEFQKVBVIZ-MGPQQGTHSA-N 2 0 355.483 -0.144 20 0 FBADRP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@H+](CCNS(=O)(=O)CC)C[C@H]1C ZINC001102475627 842639903 /nfs/dbraw/zinc/63/99/03/842639903.db2.gz XCRDHRCDXJOESM-HUUCEWRRSA-N 2 0 362.540 -0.048 20 0 FBADRP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1C ZINC001102475680 842640997 /nfs/dbraw/zinc/64/09/97/842640997.db2.gz ZPYCAJPXVMGDFV-ZIAGYGMSSA-N 2 0 353.467 -0.436 20 0 FBADRP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001102480033 842642269 /nfs/dbraw/zinc/64/22/69/842642269.db2.gz UEWZTHHILZQURP-ZIAGYGMSSA-N 2 0 353.467 -0.403 20 0 FBADRP CNC(=O)[C@H](C)[N@H+]1C[C@@H](CNC(=O)COC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102486764 842643784 /nfs/dbraw/zinc/64/37/84/842643784.db2.gz UPLZYSFKCKGBFU-QLFBSQMISA-N 2 0 354.495 -0.084 20 0 FBADRP CNC(=O)[C@@H](C)[N@H+]1C[C@@H](CNC(=O)COC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102486765 842643382 /nfs/dbraw/zinc/64/33/82/842643382.db2.gz UPLZYSFKCKGBFU-RBSFLKMASA-N 2 0 354.495 -0.084 20 0 FBADRP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001102486883 842644270 /nfs/dbraw/zinc/64/42/70/842644270.db2.gz YZEXRQLJMXRQIB-HZPDHXFCSA-N 2 0 357.495 -0.210 20 0 FBADRP C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001102488712 842643884 /nfs/dbraw/zinc/64/38/84/842643884.db2.gz GABFSKVOCXANHQ-FMKPAKJESA-N 2 0 352.479 -0.330 20 0 FBADRP C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001102488713 842644279 /nfs/dbraw/zinc/64/42/79/842644279.db2.gz GABFSKVOCXANHQ-IIAWOOMASA-N 2 0 352.479 -0.330 20 0 FBADRP CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)COC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102488868 842644139 /nfs/dbraw/zinc/64/41/39/842644139.db2.gz LGLCFRUWTGAHFE-HUUCEWRRSA-N 2 0 354.495 -0.083 20 0 FBADRP C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001102488979 842643747 /nfs/dbraw/zinc/64/37/47/842643747.db2.gz OXVNNYGKACKPCB-HUUCEWRRSA-N 2 0 354.495 -0.131 20 0 FBADRP COC[C@H](O)C[N@H+]1C[C@@H](CNC(=O)COC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102489176 842643839 /nfs/dbraw/zinc/64/38/39/842643839.db2.gz WNTWEMWIYWYQGN-BZUAXINKSA-N 2 0 357.495 -0.211 20 0 FBADRP COC[C@@H](O)C[N@H+]1C[C@@H](CNC(=O)COC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102489177 842643500 /nfs/dbraw/zinc/64/35/00/842643500.db2.gz WNTWEMWIYWYQGN-OAGGEKHMSA-N 2 0 357.495 -0.211 20 0 FBADRP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](CCN(C)S(C)(=O)=O)C[C@H]1C ZINC001102496135 842646384 /nfs/dbraw/zinc/64/63/84/842646384.db2.gz GIZIMCDOPQAKGS-HUUCEWRRSA-N 2 0 362.540 -0.096 20 0 FBADRP CCNC(=O)NC(=O)C[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)CC)[C@H](C)C1 ZINC001102496348 842647213 /nfs/dbraw/zinc/64/72/13/842647213.db2.gz QXXROOQZKSCDNJ-ZIAGYGMSSA-N 2 0 355.483 -0.142 20 0 FBADRP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@H]1C ZINC001102496355 842646338 /nfs/dbraw/zinc/64/63/38/842646338.db2.gz RCRMIUJAPZGUBK-HZPDHXFCSA-N 2 0 354.495 -0.129 20 0 FBADRP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+]([C@@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001102497175 842646848 /nfs/dbraw/zinc/64/68/48/842646848.db2.gz DSZOKRBEKLWXFH-HZSPNIEDSA-N 2 0 355.483 -0.144 20 0 FBADRP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+]([C@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001102497176 842647310 /nfs/dbraw/zinc/64/73/10/842647310.db2.gz DSZOKRBEKLWXFH-MGPQQGTHSA-N 2 0 355.483 -0.144 20 0 FBADRP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@H]1C ZINC001102497226 842647082 /nfs/dbraw/zinc/64/70/82/842647082.db2.gz HUGZQHWCYMYMIC-ZIAGYGMSSA-N 2 0 353.467 -0.436 20 0 FBADRP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](CCNS(=O)(=O)CC)C[C@H]1C ZINC001102497422 842646531 /nfs/dbraw/zinc/64/65/31/842646531.db2.gz SASLXIJHBOZIBC-HUUCEWRRSA-N 2 0 362.540 -0.048 20 0 FBADRP C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102511372 842651819 /nfs/dbraw/zinc/65/18/19/842651819.db2.gz UQEUUNATBPEZMS-HUUCEWRRSA-N 2 0 354.495 -0.131 20 0 FBADRP C[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102511400 842651196 /nfs/dbraw/zinc/65/11/96/842651196.db2.gz VSXABRLSLWKQPZ-GDBMZVCRSA-N 2 0 354.495 -0.225 20 0 FBADRP C[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102511413 842651261 /nfs/dbraw/zinc/65/12/61/842651261.db2.gz WJAQINHVPPPTHF-HZPDHXFCSA-N 2 0 354.495 -0.129 20 0 FBADRP C[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102513292 842651939 /nfs/dbraw/zinc/65/19/39/842651939.db2.gz DHIDVGIZAIGCAV-GDBMZVCRSA-N 2 0 354.495 -0.225 20 0 FBADRP C[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102513346 842651028 /nfs/dbraw/zinc/65/10/28/842651028.db2.gz GUFISPMWHRRVDR-BZUAXINKSA-N 2 0 354.495 -0.131 20 0 FBADRP C[C@@H]1C[N@@H+]([C@H]2CCCN(C)C2=O)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102513347 842651149 /nfs/dbraw/zinc/65/11/49/842651149.db2.gz GUFISPMWHRRVDR-OAGGEKHMSA-N 2 0 354.495 -0.131 20 0 FBADRP C[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102513366 842652077 /nfs/dbraw/zinc/65/20/77/842652077.db2.gz HRJYRCANKLBNFK-HZPDHXFCSA-N 2 0 354.495 -0.129 20 0 FBADRP C[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102513586 842651540 /nfs/dbraw/zinc/65/15/40/842651540.db2.gz RWLIIXJOSLOHJC-MCIONIFRSA-N 2 0 354.451 -0.946 20 0 FBADRP C[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102513587 842651608 /nfs/dbraw/zinc/65/16/08/842651608.db2.gz RWLIIXJOSLOHJC-MGPQQGTHSA-N 2 0 354.451 -0.946 20 0 FBADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102513602 842652039 /nfs/dbraw/zinc/65/20/39/842652039.db2.gz SFVOCEAGDKTDTH-HUUCEWRRSA-N 2 0 355.483 -0.726 20 0 FBADRP CCN1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)C1=O ZINC001102513611 842651240 /nfs/dbraw/zinc/65/12/40/842651240.db2.gz SYGJJTWLILWXMS-BZUAXINKSA-N 2 0 354.495 -0.131 20 0 FBADRP CCN1CC[C@H]([N@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)C1=O ZINC001102513612 842652114 /nfs/dbraw/zinc/65/21/14/842652114.db2.gz SYGJJTWLILWXMS-OAGGEKHMSA-N 2 0 354.495 -0.131 20 0 FBADRP C[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102513740 842652022 /nfs/dbraw/zinc/65/20/22/842652022.db2.gz ZSQCLAPJEVTZIV-HUUCEWRRSA-N 2 0 363.524 -0.317 20 0 FBADRP C[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001102514071 842651883 /nfs/dbraw/zinc/65/18/83/842651883.db2.gz LNORSGIKKVUBHU-HZSPNIEDSA-N 2 0 350.467 -0.366 20 0 FBADRP C[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001102514072 842653484 /nfs/dbraw/zinc/65/34/84/842653484.db2.gz LNORSGIKKVUBHU-MGPQQGTHSA-N 2 0 350.467 -0.366 20 0 FBADRP C[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001102514198 842653338 /nfs/dbraw/zinc/65/33/38/842653338.db2.gz QHFRWKUPXWYBCX-ZIAGYGMSSA-N 2 0 358.508 -0.685 20 0 FBADRP C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001102514203 842653546 /nfs/dbraw/zinc/65/35/46/842653546.db2.gz QJJGYBLQVGXYNZ-FRRDWIJNSA-N 2 0 351.451 -0.650 20 0 FBADRP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001102514204 842653634 /nfs/dbraw/zinc/65/36/34/842653634.db2.gz QJJGYBLQVGXYNZ-JHJVBQTASA-N 2 0 351.451 -0.650 20 0 FBADRP C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102514332 842653657 /nfs/dbraw/zinc/65/36/57/842653657.db2.gz UKHGVVOFIQXEOI-QLFBSQMISA-N 2 0 354.495 -0.084 20 0 FBADRP C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102514333 842652901 /nfs/dbraw/zinc/65/29/01/842652901.db2.gz UKHGVVOFIQXEOI-RBSFLKMASA-N 2 0 354.495 -0.084 20 0 FBADRP CNC(=O)NC(=O)C[N@H+]1C[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102514497 842652856 /nfs/dbraw/zinc/65/28/56/842652856.db2.gz ZAAKFBSNEUGZPV-HZSPNIEDSA-N 2 0 353.467 -0.532 20 0 FBADRP CNC(=O)NC(=O)C[N@H+]1C[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102514498 842653740 /nfs/dbraw/zinc/65/37/40/842653740.db2.gz ZAAKFBSNEUGZPV-MGPQQGTHSA-N 2 0 353.467 -0.532 20 0 FBADRP C[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001102514586 842653961 /nfs/dbraw/zinc/65/39/61/842653961.db2.gz DASYLIIJTDBPNU-QLFBSQMISA-N 2 0 360.524 -0.439 20 0 FBADRP C[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001102514587 842653136 /nfs/dbraw/zinc/65/31/36/842653136.db2.gz DASYLIIJTDBPNU-RBSFLKMASA-N 2 0 360.524 -0.439 20 0 FBADRP CNC(=O)NC(=O)C[N@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001102515153 842653250 /nfs/dbraw/zinc/65/32/50/842653250.db2.gz GJGNOAZWKOAUHC-CHWSQXEVSA-N 2 0 351.451 -0.778 20 0 FBADRP C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](CNC(=O)CCCC[NH+](C)C)[C@H](C)C1 ZINC001102520383 842652782 /nfs/dbraw/zinc/65/27/82/842652782.db2.gz IISAUGLYWPGUFT-HZSPNIEDSA-N 2 0 355.483 -0.014 20 0 FBADRP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](CNC(=O)CCCC[NH+](C)C)[C@H](C)C1 ZINC001102520384 842652828 /nfs/dbraw/zinc/65/28/28/842652828.db2.gz IISAUGLYWPGUFT-MGPQQGTHSA-N 2 0 355.483 -0.014 20 0 FBADRP C[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001102520579 842652753 /nfs/dbraw/zinc/65/27/53/842652753.db2.gz QBWAUKQHYIBFKJ-HUUCEWRRSA-N 2 0 362.540 -0.048 20 0 FBADRP CNC(=O)NC(=O)C[N@H+]1C[C@@H](CNC(=O)CCCC[NH+](C)C)[C@H](C)C1 ZINC001102520852 842653272 /nfs/dbraw/zinc/65/32/72/842653272.db2.gz DXPFQWKDOKEHLT-ZIAGYGMSSA-N 2 0 355.483 -0.142 20 0 FBADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001102523810 842654670 /nfs/dbraw/zinc/65/46/70/842654670.db2.gz KHPQXFFHWMUWHG-HZSPNIEDSA-N 2 0 355.483 -0.014 20 0 FBADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+]([C@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001102523811 842654594 /nfs/dbraw/zinc/65/45/94/842654594.db2.gz KHPQXFFHWMUWHG-MGPQQGTHSA-N 2 0 355.483 -0.014 20 0 FBADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](CCNS(C)(=O)=O)C[C@H]1C ZINC001102524772 842655251 /nfs/dbraw/zinc/65/52/51/842655251.db2.gz VNZIFBCJLMKZJA-HUUCEWRRSA-N 2 0 362.540 -0.048 20 0 FBADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](CC(=O)NC(=O)NC)C[C@H]1C ZINC001102524801 842654643 /nfs/dbraw/zinc/65/46/43/842654643.db2.gz XCKYXQBJGPTUIJ-ZIAGYGMSSA-N 2 0 355.483 -0.142 20 0 FBADRP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)NC(=O)NCC)C[C@H]1C ZINC001102524904 842654866 /nfs/dbraw/zinc/65/48/66/842654866.db2.gz CKKFMUQKTUDFHY-ZIAGYGMSSA-N 2 0 355.483 -0.142 20 0 FBADRP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CCN(C)S(C)(=O)=O)C[C@H]1C ZINC001102524906 842655217 /nfs/dbraw/zinc/65/52/17/842655217.db2.gz CNHMQGJYZGTODL-HUUCEWRRSA-N 2 0 362.540 -0.096 20 0 FBADRP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CCNS(=O)(=O)CC)C[C@H]1C ZINC001102525069 842655581 /nfs/dbraw/zinc/65/55/81/842655581.db2.gz KCNRHLSAGJNSMH-HUUCEWRRSA-N 2 0 362.540 -0.048 20 0 FBADRP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@H]1C ZINC001102525170 842654728 /nfs/dbraw/zinc/65/47/28/842654728.db2.gz OCLPMOLGEPJKMQ-HZPDHXFCSA-N 2 0 354.495 -0.129 20 0 FBADRP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@H]1C ZINC001102525380 842654567 /nfs/dbraw/zinc/65/45/67/842654567.db2.gz ZSRMTTVTCKHOQP-ZIAGYGMSSA-N 2 0 353.467 -0.436 20 0 FBADRP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+]([C@@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001102525632 842655521 /nfs/dbraw/zinc/65/55/21/842655521.db2.gz MGGYQKFCVDSCHY-HZSPNIEDSA-N 2 0 355.483 -0.144 20 0 FBADRP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+]([C@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001102525633 842654994 /nfs/dbraw/zinc/65/49/94/842654994.db2.gz MGGYQKFCVDSCHY-MGPQQGTHSA-N 2 0 355.483 -0.144 20 0 FBADRP CCNC(=O)NC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102578030 842664119 /nfs/dbraw/zinc/66/41/19/842664119.db2.gz IELZWTQWCNIEMK-HZSPNIEDSA-N 2 0 353.467 -0.532 20 0 FBADRP CCNC(=O)NC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102578031 842664228 /nfs/dbraw/zinc/66/42/28/842664228.db2.gz IELZWTQWCNIEMK-MGPQQGTHSA-N 2 0 353.467 -0.532 20 0 FBADRP CC(=O)NCCOCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102578086 842664271 /nfs/dbraw/zinc/66/42/71/842664271.db2.gz KLOAJFVTHNLCRU-DJIMGWMZSA-N 2 0 354.495 -0.225 20 0 FBADRP CC(=O)NCCOCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102578087 842665182 /nfs/dbraw/zinc/66/51/82/842665182.db2.gz KLOAJFVTHNLCRU-HYVNUMGLSA-N 2 0 354.495 -0.225 20 0 FBADRP C[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001102578164 842666207 /nfs/dbraw/zinc/66/62/07/842666207.db2.gz OQDUIKYQWAIVSH-QLFBSQMISA-N 2 0 360.524 -0.486 20 0 FBADRP C[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001102578165 842665387 /nfs/dbraw/zinc/66/53/87/842665387.db2.gz OQDUIKYQWAIVSH-RBSFLKMASA-N 2 0 360.524 -0.486 20 0 FBADRP CCS(=O)(=O)NCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102578230 842666326 /nfs/dbraw/zinc/66/63/26/842666326.db2.gz RGRAFHCAIZBCPT-QLFBSQMISA-N 2 0 360.524 -0.439 20 0 FBADRP CCS(=O)(=O)NCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102578231 842665282 /nfs/dbraw/zinc/66/52/82/842665282.db2.gz RGRAFHCAIZBCPT-RBSFLKMASA-N 2 0 360.524 -0.439 20 0 FBADRP CCOCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102578316 842666361 /nfs/dbraw/zinc/66/63/61/842666361.db2.gz VSEARJURFHHHFZ-BZUAXINKSA-N 2 0 354.495 -0.225 20 0 FBADRP CCOCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102578317 842666155 /nfs/dbraw/zinc/66/61/55/842666155.db2.gz VSEARJURFHHHFZ-OWCLPIDISA-N 2 0 354.495 -0.225 20 0 FBADRP COCCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102578395 842665121 /nfs/dbraw/zinc/66/51/21/842665121.db2.gz ZXCNWDYKBULENC-BZUAXINKSA-N 2 0 354.495 -0.225 20 0 FBADRP COCCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102578396 842665336 /nfs/dbraw/zinc/66/53/36/842665336.db2.gz ZXCNWDYKBULENC-OWCLPIDISA-N 2 0 354.495 -0.225 20 0 FBADRP C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102578977 842666306 /nfs/dbraw/zinc/66/63/06/842666306.db2.gz CGPJPDILZGEXJW-HUUCEWRRSA-N 2 0 350.463 -0.085 20 0 FBADRP CCS(=O)(=O)NCC[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102579127 842665907 /nfs/dbraw/zinc/66/59/07/842665907.db2.gz JEQUQQNNYMNCFV-HUUCEWRRSA-N 2 0 360.524 -0.294 20 0 FBADRP CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102579335 842665310 /nfs/dbraw/zinc/66/53/10/842665310.db2.gz SIIRODQOWMSFOS-HZSPNIEDSA-N 2 0 353.467 -0.390 20 0 FBADRP CNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102579336 842665620 /nfs/dbraw/zinc/66/56/20/842665620.db2.gz SIIRODQOWMSFOS-MGPQQGTHSA-N 2 0 353.467 -0.390 20 0 FBADRP CC(=O)NCCOCC[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102579562 842665071 /nfs/dbraw/zinc/66/50/71/842665071.db2.gz DVZQXRDTAKVIKH-NVXWUHKLSA-N 2 0 354.495 -0.081 20 0 FBADRP C[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102579570 842665254 /nfs/dbraw/zinc/66/52/54/842665254.db2.gz FEVCTVZXLNAJPD-HUUCEWRRSA-N 2 0 360.524 -0.342 20 0 FBADRP CCNC(=O)NC(=O)C[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102579603 842666259 /nfs/dbraw/zinc/66/62/59/842666259.db2.gz GRILJGWREOOAEY-ZIAGYGMSSA-N 2 0 353.467 -0.388 20 0 FBADRP C[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102579629 842665708 /nfs/dbraw/zinc/66/57/08/842665708.db2.gz HQJGLJJQBYUMCR-HZPDHXFCSA-N 2 0 352.479 -0.375 20 0 FBADRP COCCOC[C@H](O)C[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102579841 842665228 /nfs/dbraw/zinc/66/52/28/842665228.db2.gz SDBOWIUWSFCVEE-BRWVUGGUSA-N 2 0 357.495 -0.210 20 0 FBADRP COCCOC[C@@H](O)C[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102579842 842665462 /nfs/dbraw/zinc/66/54/62/842665462.db2.gz SDBOWIUWSFCVEE-ZACQAIPSSA-N 2 0 357.495 -0.210 20 0 FBADRP COCCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102579898 842665805 /nfs/dbraw/zinc/66/58/05/842665805.db2.gz WDBKWEYPLGBJFA-HZPDHXFCSA-N 2 0 354.495 -0.081 20 0 FBADRP CCOCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102579914 842665419 /nfs/dbraw/zinc/66/54/19/842665419.db2.gz WZCSDILSLDAGIU-HZPDHXFCSA-N 2 0 354.495 -0.081 20 0 FBADRP C[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102580090 842665754 /nfs/dbraw/zinc/66/57/54/842665754.db2.gz FNVFFKNFKFHXAC-ZIAGYGMSSA-N 2 0 351.451 -0.682 20 0 FBADRP CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H](C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC001102580642 842665541 /nfs/dbraw/zinc/66/55/41/842665541.db2.gz FZADTUJBQLPNSZ-BZUAXINKSA-N 2 0 354.495 -0.225 20 0 FBADRP CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC001102580643 842665860 /nfs/dbraw/zinc/66/58/60/842665860.db2.gz FZADTUJBQLPNSZ-OWCLPIDISA-N 2 0 354.495 -0.225 20 0 FBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@H+](CCOCCO)C[C@H]1C ZINC001102580930 842666014 /nfs/dbraw/zinc/66/60/14/842666014.db2.gz RGDNCFNZFCSAMT-BRWVUGGUSA-N 2 0 357.495 -0.352 20 0 FBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@H+](CCOCCO)C[C@H]1C ZINC001102580931 842666112 /nfs/dbraw/zinc/66/61/12/842666112.db2.gz RGDNCFNZFCSAMT-IXDOHACOSA-N 2 0 357.495 -0.352 20 0 FBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1C ZINC001102581100 842666064 /nfs/dbraw/zinc/66/60/64/842666064.db2.gz ZMBKCKBJVZSAJK-BZUAXINKSA-N 2 0 354.495 -0.273 20 0 FBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1C ZINC001102581101 842665586 /nfs/dbraw/zinc/66/55/86/842665586.db2.gz ZMBKCKBJVZSAJK-OWCLPIDISA-N 2 0 354.495 -0.273 20 0 FBADRP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001102596351 842672305 /nfs/dbraw/zinc/67/23/05/842672305.db2.gz AEZBXARBWCHRBG-ZIAGYGMSSA-N 2 0 353.467 -0.259 20 0 FBADRP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001102599316 842673348 /nfs/dbraw/zinc/67/33/48/842673348.db2.gz YEIBTFCAOXUYAR-ZIAGYGMSSA-N 2 0 353.467 -0.259 20 0 FBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1C ZINC001102599910 842675549 /nfs/dbraw/zinc/67/55/49/842675549.db2.gz CWQUDKDKQVBLQQ-MCIONIFRSA-N 2 0 353.467 -0.260 20 0 FBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1C ZINC001102599911 842675440 /nfs/dbraw/zinc/67/54/40/842675440.db2.gz CWQUDKDKQVBLQQ-MGPQQGTHSA-N 2 0 353.467 -0.260 20 0 FBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CCN(C)S(C)(=O)=O)C[C@H]1C ZINC001102600477 842674773 /nfs/dbraw/zinc/67/47/73/842674773.db2.gz HHWKNNGLFNAXHF-HUUCEWRRSA-N 2 0 362.540 -0.098 20 0 FBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@H]1C ZINC001102600971 842675246 /nfs/dbraw/zinc/67/52/46/842675246.db2.gz FKQVTOZTKAHTQY-HZPDHXFCSA-N 2 0 354.495 -0.131 20 0 FBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@H]1C ZINC001102601055 842675399 /nfs/dbraw/zinc/67/53/99/842675399.db2.gz IBNOIBWQDCDGTE-ZIAGYGMSSA-N 2 0 353.467 -0.438 20 0 FBADRP CCS(=O)(=O)NCC[N@H+]1C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C1 ZINC001102601061 842675599 /nfs/dbraw/zinc/67/55/99/842675599.db2.gz ILAHXHHRMMVKNK-HUUCEWRRSA-N 2 0 362.540 -0.050 20 0 FBADRP CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C1 ZINC001102601326 842675005 /nfs/dbraw/zinc/67/50/05/842675005.db2.gz XRNLZUGVJFEZMY-HZSPNIEDSA-N 2 0 355.483 -0.145 20 0 FBADRP CNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C1 ZINC001102601327 842674682 /nfs/dbraw/zinc/67/46/82/842674682.db2.gz XRNLZUGVJFEZMY-MGPQQGTHSA-N 2 0 355.483 -0.145 20 0 FBADRP CCNC(=O)NC(=O)C[N@H+]1C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C1 ZINC001102601336 842675479 /nfs/dbraw/zinc/67/54/79/842675479.db2.gz YKLOMFUFISSXMW-ZIAGYGMSSA-N 2 0 355.483 -0.144 20 0 FBADRP C[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001102780506 842690710 /nfs/dbraw/zinc/69/07/10/842690710.db2.gz DFVXJEMLWXAKLB-KFWWJZLASA-N 2 0 360.524 -0.296 20 0 FBADRP C[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1CCNC(=O)[C@H]1CCC[NH+]1C ZINC001102780507 842690100 /nfs/dbraw/zinc/69/01/00/842690100.db2.gz DFVXJEMLWXAKLB-RBSFLKMASA-N 2 0 360.524 -0.296 20 0 FBADRP CNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001102782273 842690515 /nfs/dbraw/zinc/69/05/15/842690515.db2.gz JMFCEJDSULRVNE-MCIONIFRSA-N 2 0 353.467 -0.390 20 0 FBADRP CNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001102782274 842691022 /nfs/dbraw/zinc/69/10/22/842691022.db2.gz JMFCEJDSULRVNE-MGPQQGTHSA-N 2 0 353.467 -0.390 20 0 FBADRP C[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001102782543 842690750 /nfs/dbraw/zinc/69/07/50/842690750.db2.gz NRDYIICTJLLXAC-MCIONIFRSA-N 2 0 350.467 -0.223 20 0 FBADRP C[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CCNC(=O)[C@H]1CCC[NH+]1C ZINC001102782545 842689957 /nfs/dbraw/zinc/68/99/57/842689957.db2.gz NRDYIICTJLLXAC-MGPQQGTHSA-N 2 0 350.467 -0.223 20 0 FBADRP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001103000186 842706389 /nfs/dbraw/zinc/70/63/89/842706389.db2.gz WKFWFMMSOJELFW-ZIAGYGMSSA-N 2 0 350.467 -0.382 20 0 FBADRP C[C@@H]1[C@H](C(=O)NCC[C@@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]2C)CC[NH+]1C ZINC001103005259 842706231 /nfs/dbraw/zinc/70/62/31/842706231.db2.gz ZUXYLRLKWBVEPZ-AAVRWANBSA-N 2 0 353.467 -0.404 20 0 FBADRP C[C@@H]1[C@H](C(=O)NCC[C@@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@H]2C)CC[NH+]1C ZINC001103007792 842706371 /nfs/dbraw/zinc/70/63/71/842706371.db2.gz XFMFKVSCHJRLKH-KLHDSHLOSA-N 2 0 374.551 -0.050 20 0 FBADRP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)C1([NH+](C)C)CCC1 ZINC001103083977 842713560 /nfs/dbraw/zinc/71/35/60/842713560.db2.gz RKHOEFAHLVAITD-CHWSQXEVSA-N 2 0 353.467 -0.260 20 0 FBADRP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001103087672 842714094 /nfs/dbraw/zinc/71/40/94/842714094.db2.gz LCIUVUKBDHQQDS-KYOSRNDESA-N 2 0 353.467 -0.404 20 0 FBADRP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001103087674 842713827 /nfs/dbraw/zinc/71/38/27/842713827.db2.gz LCIUVUKBDHQQDS-UXIGCNINSA-N 2 0 353.467 -0.404 20 0 FBADRP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)C[NH+](C)C1CCC1 ZINC001103089828 842713938 /nfs/dbraw/zinc/71/39/38/842713938.db2.gz CEGKFRYEBFHYEZ-CHWSQXEVSA-N 2 0 353.467 -0.260 20 0 FBADRP CC(C)[C@@H](C(=O)NCC[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C)[NH+](C)C ZINC001103111860 842715246 /nfs/dbraw/zinc/71/52/46/842715246.db2.gz RIZAXHZHEQHILP-NFAWXSAZSA-N 2 0 355.483 -0.158 20 0 FBADRP CC[C@H](C(=O)NCC[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1C)[NH+](C)C ZINC001103139836 842715682 /nfs/dbraw/zinc/71/56/82/842715682.db2.gz ABHYGRQPGRRAKY-RBSFLKMASA-N 2 0 362.540 -0.050 20 0 FBADRP CC[C@H](C(=O)NCC[C@@H]1C[N@H+](CC(=O)NC(=O)NC)C[C@H]1C)[NH+](C)C ZINC001103140169 842715933 /nfs/dbraw/zinc/71/59/33/842715933.db2.gz QOMMYWZNBQHSMW-MGPQQGTHSA-N 2 0 355.483 -0.144 20 0 FBADRP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001103142799 842716333 /nfs/dbraw/zinc/71/63/33/842716333.db2.gz BTNLTDWMEVRMJF-HUUCEWRRSA-N 2 0 354.495 -0.096 20 0 FBADRP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001103147846 842716362 /nfs/dbraw/zinc/71/63/62/842716362.db2.gz CLSRLPLPBIESQC-MCIONIFRSA-N 2 0 353.467 -0.260 20 0 FBADRP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001103147847 842714998 /nfs/dbraw/zinc/71/49/98/842714998.db2.gz CLSRLPLPBIESQC-MGPQQGTHSA-N 2 0 353.467 -0.260 20 0 FBADRP CC[N@H+](C)C(C)(C)C(=O)NCC[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1C ZINC001103156598 842719330 /nfs/dbraw/zinc/71/93/30/842719330.db2.gz MTVMSYVPKJRSMT-CHWSQXEVSA-N 2 0 355.483 -0.014 20 0 FBADRP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CCNC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001103249480 842725725 /nfs/dbraw/zinc/72/57/25/842725725.db2.gz LJEYCSIULXYIKX-ILLDSPSKSA-N 2 0 350.463 -0.591 20 0 FBADRP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CCNC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001103249481 842725456 /nfs/dbraw/zinc/72/54/56/842725456.db2.gz LJEYCSIULXYIKX-PGJZFTLKSA-N 2 0 350.463 -0.591 20 0 FBADRP CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001103365261 842729597 /nfs/dbraw/zinc/72/95/97/842729597.db2.gz VXFHWVXUILVQOC-BZUAXINKSA-N 2 0 354.495 -0.084 20 0 FBADRP CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001103365262 842730283 /nfs/dbraw/zinc/73/02/83/842730283.db2.gz VXFHWVXUILVQOC-OAGGEKHMSA-N 2 0 354.495 -0.084 20 0 FBADRP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001103374993 842731818 /nfs/dbraw/zinc/73/18/18/842731818.db2.gz UMPRAKMWUOYQRL-CHWSQXEVSA-N 2 0 353.467 -0.403 20 0 FBADRP CNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001103378691 842730991 /nfs/dbraw/zinc/73/09/91/842730991.db2.gz FOGWDUNSDSWSBS-ZIAGYGMSSA-N 2 0 355.483 -0.142 20 0 FBADRP C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001103380254 842731582 /nfs/dbraw/zinc/73/15/82/842731582.db2.gz LTFJUKVGUJNZCO-HZSPNIEDSA-N 2 0 355.483 -0.014 20 0 FBADRP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001103380255 842731343 /nfs/dbraw/zinc/73/13/43/842731343.db2.gz LTFJUKVGUJNZCO-MGPQQGTHSA-N 2 0 355.483 -0.014 20 0 FBADRP C[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1CCNC(=O)CCC[NH+](C)C ZINC001103380339 842730815 /nfs/dbraw/zinc/73/08/15/842730815.db2.gz QXVSBNWSADWZDE-HUUCEWRRSA-N 2 0 362.540 -0.048 20 0 FBADRP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)C1CC[NH+](C)CC1 ZINC001103395633 842732537 /nfs/dbraw/zinc/73/25/37/842732537.db2.gz DHNYMYFKOYWMDI-TZMCWYRMSA-N 2 0 353.467 -0.403 20 0 FBADRP C[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103396864 842732575 /nfs/dbraw/zinc/73/25/75/842732575.db2.gz NEGFZPSDBISHIG-HZPDHXFCSA-N 2 0 354.495 -0.129 20 0 FBADRP CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103397080 842733198 /nfs/dbraw/zinc/73/31/98/842733198.db2.gz YLBJDJMLNQYQHW-ZIAGYGMSSA-N 2 0 355.483 -0.142 20 0 FBADRP C[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103398250 842733319 /nfs/dbraw/zinc/73/33/19/842733319.db2.gz JTMRNDZVDKQWRQ-HUUCEWRRSA-N 2 0 362.540 -0.096 20 0 FBADRP CCS(=O)(=O)NCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103398287 842733155 /nfs/dbraw/zinc/73/31/55/842733155.db2.gz LLWSXQDYTXKPFS-HUUCEWRRSA-N 2 0 362.540 -0.048 20 0 FBADRP C[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103398326 842734996 /nfs/dbraw/zinc/73/49/96/842734996.db2.gz NXQLGTLISFFHPF-ZIAGYGMSSA-N 2 0 353.467 -0.436 20 0 FBADRP CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103398518 842734786 /nfs/dbraw/zinc/73/47/86/842734786.db2.gz WJVWDYYYZYPMCB-HZSPNIEDSA-N 2 0 355.483 -0.144 20 0 FBADRP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103398519 842734370 /nfs/dbraw/zinc/73/43/70/842734370.db2.gz WJVWDYYYZYPMCB-MGPQQGTHSA-N 2 0 355.483 -0.144 20 0 FBADRP CC(C)[C@H](C(=O)NCC[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C)[NH+](C)C ZINC001103407743 842734103 /nfs/dbraw/zinc/73/41/03/842734103.db2.gz RIZAXHZHEQHILP-UMVBOHGHSA-N 2 0 355.483 -0.158 20 0 FBADRP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)C[NH+]1CCC[C@@H]1C ZINC001103433610 842734047 /nfs/dbraw/zinc/73/40/47/842734047.db2.gz JSEUCHKANXNHPZ-HZSPNIEDSA-N 2 0 353.467 -0.260 20 0 FBADRP C[C@@H]1CCC[NH+]1CC(=O)NCC[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001103433611 842734608 /nfs/dbraw/zinc/73/46/08/842734608.db2.gz JSEUCHKANXNHPZ-MGPQQGTHSA-N 2 0 353.467 -0.260 20 0 FBADRP C[C@H]1CC[N@H+](CC(=O)NCC[C@@H]2C[NH+](CC(=O)NC(N)=O)C[C@H]2C)C1 ZINC001103436326 842735224 /nfs/dbraw/zinc/73/52/24/842735224.db2.gz TXACKTGAAANIDW-BFHYXJOUSA-N 2 0 353.467 -0.403 20 0 FBADRP C[C@@H]1CC[N@H+](CC(=O)NCC[C@@H]2C[NH+](CC(=O)NC(N)=O)C[C@H]2C)C1 ZINC001103436327 842735196 /nfs/dbraw/zinc/73/51/96/842735196.db2.gz TXACKTGAAANIDW-MGPQQGTHSA-N 2 0 353.467 -0.403 20 0 FBADRP CC[C@@H](C(=O)NCC[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1C)[NH+](C)C ZINC001103443566 842736259 /nfs/dbraw/zinc/73/62/59/842736259.db2.gz ABHYGRQPGRRAKY-KFWWJZLASA-N 2 0 362.540 -0.050 20 0 FBADRP CC[C@@H](C(=O)NCC[C@@H]1C[N@H+](CC(=O)NC(=O)NC)C[C@H]1C)[NH+](C)C ZINC001103444941 842736505 /nfs/dbraw/zinc/73/65/05/842736505.db2.gz QOMMYWZNBQHSMW-MCIONIFRSA-N 2 0 355.483 -0.144 20 0 FBADRP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001103520277 842739673 /nfs/dbraw/zinc/73/96/73/842739673.db2.gz LTMARXLYZVEUAL-ZIAGYGMSSA-N 2 0 350.467 -0.382 20 0 FBADRP CC[NH+](CC)CC(=O)NCC[C@@H]1C[N@H+](CC(=O)NC(=O)NC)C[C@H]1C ZINC001103550370 842743903 /nfs/dbraw/zinc/74/39/03/842743903.db2.gz MKYLFBSABLMYLK-ZIAGYGMSSA-N 2 0 355.483 -0.142 20 0 FBADRP CC[NH+](CC)CC(=O)NCC[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1C ZINC001103550393 842742765 /nfs/dbraw/zinc/74/27/65/842742765.db2.gz NNBWAZPIWGUJRJ-HUUCEWRRSA-N 2 0 362.540 -0.048 20 0 FBADRP CC[NH+](CC)CC(=O)NCC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001103550590 842743385 /nfs/dbraw/zinc/74/33/85/842743385.db2.gz YALITXMHBGLDDM-HZSPNIEDSA-N 2 0 355.483 -0.014 20 0 FBADRP CC[NH+](CC)CC(=O)NCC[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001103550591 842743192 /nfs/dbraw/zinc/74/31/92/842743192.db2.gz YALITXMHBGLDDM-MGPQQGTHSA-N 2 0 355.483 -0.014 20 0 FBADRP CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001103584540 842744826 /nfs/dbraw/zinc/74/48/26/842744826.db2.gz YVWQOJAGCMIXQA-HUUCEWRRSA-N 2 0 354.495 -0.083 20 0 FBADRP CC[N@H+](C)CCC(=O)NCC[C@@H]1C[NH+](CCNS(C)(=O)=O)C[C@H]1C ZINC001103612525 842745086 /nfs/dbraw/zinc/74/50/86/842745086.db2.gz GYRLDUQYHBNWIZ-HUUCEWRRSA-N 2 0 362.540 -0.048 20 0 FBADRP CC[N@H+](C)CCC(=O)NCC[C@@H]1C[NH+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001103612644 842744889 /nfs/dbraw/zinc/74/48/89/842744889.db2.gz NLTCMKJMEBMUIO-HZSPNIEDSA-N 2 0 355.483 -0.014 20 0 FBADRP CC[N@H+](C)CCC(=O)NCC[C@@H]1C[NH+]([C@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001103612645 842745510 /nfs/dbraw/zinc/74/55/10/842745510.db2.gz NLTCMKJMEBMUIO-MGPQQGTHSA-N 2 0 355.483 -0.014 20 0 FBADRP CC[N@H+](C)CCC(=O)NCC[C@@H]1C[NH+](CC(=O)NC(=O)NC)C[C@H]1C ZINC001103612844 842745126 /nfs/dbraw/zinc/74/51/26/842745126.db2.gz XMHIYORUGGQORP-ZIAGYGMSSA-N 2 0 355.483 -0.142 20 0 FBADRP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001103641746 842747074 /nfs/dbraw/zinc/74/70/74/842747074.db2.gz BCTSYHBRNMETPV-HZSPNIEDSA-N 2 0 353.467 -0.403 20 0 FBADRP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001103641747 842746362 /nfs/dbraw/zinc/74/63/62/842746362.db2.gz BCTSYHBRNMETPV-MGPQQGTHSA-N 2 0 353.467 -0.403 20 0 FBADRP C[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1CCNC(=O)COCC[NH+](C)C ZINC001103641755 842746145 /nfs/dbraw/zinc/74/61/45/842746145.db2.gz BGPOAYXQQVBLMW-BZUAXINKSA-N 2 0 354.495 -0.083 20 0 FBADRP C[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1CCNC(=O)COCC[NH+](C)C ZINC001103641756 842746105 /nfs/dbraw/zinc/74/61/05/842746105.db2.gz BGPOAYXQQVBLMW-OAGGEKHMSA-N 2 0 354.495 -0.083 20 0 FBADRP C[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1CCNC(=O)COCC[NH+](C)C ZINC001103641842 842746434 /nfs/dbraw/zinc/74/64/34/842746434.db2.gz GINWFFNGDOPQQZ-HUUCEWRRSA-N 2 0 363.524 -0.317 20 0 FBADRP C[C@@H]1C[N@H+](Cc2cnnn2C)C[C@H]1CCNC(=O)COCC[NH+](C)C ZINC001103641882 842746994 /nfs/dbraw/zinc/74/69/94/842746994.db2.gz HYWFNPNFMKCARD-HUUCEWRRSA-N 2 0 352.483 -0.033 20 0 FBADRP C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1CCNC(=O)COCC[NH+](C)C ZINC001103641955 842748068 /nfs/dbraw/zinc/74/80/68/842748068.db2.gz KJRIUHNARXLXPN-HUUCEWRRSA-N 2 0 354.495 -0.083 20 0 FBADRP C[C@@H]1C[N@H+](Cc2cn(C)nn2)C[C@H]1CCNC(=O)COCC[NH+](C)C ZINC001103642072 842747591 /nfs/dbraw/zinc/74/75/91/842747591.db2.gz PSWSDCZPAYEWJW-HUUCEWRRSA-N 2 0 352.483 -0.033 20 0 FBADRP C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1CCNC(=O)COCC[NH+](C)C ZINC001103642303 842747691 /nfs/dbraw/zinc/74/76/91/842747691.db2.gz ZGYQDNYZFQMJMS-HZPDHXFCSA-N 2 0 354.495 -0.129 20 0 FBADRP C[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1CCNC(=O)COCC[NH+](C)C ZINC001103643122 842748012 /nfs/dbraw/zinc/74/80/12/842748012.db2.gz DPQCYMOPAZKSCF-BZUAXINKSA-N 2 0 354.495 -0.131 20 0 FBADRP C[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1CCNC(=O)COCC[NH+](C)C ZINC001103643123 842748197 /nfs/dbraw/zinc/74/81/97/842748197.db2.gz DPQCYMOPAZKSCF-OAGGEKHMSA-N 2 0 354.495 -0.131 20 0 FBADRP C[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1CCNC(=O)COCC[NH+](C)C ZINC001103643427 842747919 /nfs/dbraw/zinc/74/79/19/842747919.db2.gz JHQPSUZUUOVVBF-HZPDHXFCSA-N 2 0 352.483 -0.070 20 0 FBADRP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)C12CC[NH+](CC1)C2 ZINC001103647043 842748153 /nfs/dbraw/zinc/74/81/53/842748153.db2.gz RLODVEIJBGCGMS-CHWSQXEVSA-N 2 0 351.451 -0.649 20 0 FBADRP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)CCCC[NH+](C)C ZINC001103655087 842747941 /nfs/dbraw/zinc/74/79/41/842747941.db2.gz OQQOUOLDLUGYBY-ZIAGYGMSSA-N 2 0 355.483 -0.013 20 0 FBADRP CCC[N@H+](C)CCC(=O)NCC[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1C ZINC001103662712 842748645 /nfs/dbraw/zinc/74/86/45/842748645.db2.gz MQOFRBOJRJUDLI-ZIAGYGMSSA-N 2 0 355.483 -0.013 20 0 FBADRP CCC[N@H+](C)CC(=O)NCC[C@@H]1C[NH+](CC(=O)NC(=O)NC)C[C@H]1C ZINC001103663807 842748343 /nfs/dbraw/zinc/74/83/43/842748343.db2.gz VOXAPGOXEDDUTE-ZIAGYGMSSA-N 2 0 355.483 -0.142 20 0 FBADRP CCC[N@H+](C)CC(=O)NCC[C@@H]1C[NH+](CCNS(C)(=O)=O)C[C@H]1C ZINC001103664770 842748433 /nfs/dbraw/zinc/74/84/33/842748433.db2.gz VPWUSDQXZGFZPF-HUUCEWRRSA-N 2 0 362.540 -0.048 20 0 FBADRP CCC[N@H+](C)CC(=O)NCC[C@@H]1C[NH+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001103665791 842747961 /nfs/dbraw/zinc/74/79/61/842747961.db2.gz UJQXCXLGYMDDBI-HZSPNIEDSA-N 2 0 355.483 -0.014 20 0 FBADRP CCC[N@H+](C)CC(=O)NCC[C@@H]1C[NH+]([C@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001103665792 842748488 /nfs/dbraw/zinc/74/84/88/842748488.db2.gz UJQXCXLGYMDDBI-MGPQQGTHSA-N 2 0 355.483 -0.014 20 0 FBADRP CNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001103718747 842751370 /nfs/dbraw/zinc/75/13/70/842751370.db2.gz DAULUFAKRAIUOH-MCIONIFRSA-N 2 0 353.467 -0.532 20 0 FBADRP CNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001103718748 842753186 /nfs/dbraw/zinc/75/31/86/842753186.db2.gz DAULUFAKRAIUOH-MGPQQGTHSA-N 2 0 353.467 -0.532 20 0 FBADRP C[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001103719171 842752694 /nfs/dbraw/zinc/75/26/94/842752694.db2.gz SYTBVWSEWXKZSU-MCIONIFRSA-N 2 0 350.467 -0.366 20 0 FBADRP C[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001103719172 842753648 /nfs/dbraw/zinc/75/36/48/842753648.db2.gz SYTBVWSEWXKZSU-MGPQQGTHSA-N 2 0 350.467 -0.366 20 0 FBADRP C[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001103721488 842753388 /nfs/dbraw/zinc/75/33/88/842753388.db2.gz UXWYKNUOYYBLAZ-KFWWJZLASA-N 2 0 360.524 -0.439 20 0 FBADRP C[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001103721489 842752307 /nfs/dbraw/zinc/75/23/07/842752307.db2.gz UXWYKNUOYYBLAZ-RBSFLKMASA-N 2 0 360.524 -0.439 20 0 FBADRP CNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001103722468 842752618 /nfs/dbraw/zinc/75/26/18/842752618.db2.gz OKGUKIMMRMSWER-ZIAGYGMSSA-N 2 0 353.467 -0.388 20 0 FBADRP C[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CCNC(=O)C[NH+]1CCCC1 ZINC001103722625 842753437 /nfs/dbraw/zinc/75/34/37/842753437.db2.gz XDTKJRLRXJDRKK-ZIAGYGMSSA-N 2 0 350.467 -0.222 20 0 FBADRP C[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1CCNC(=O)C[NH+]1CCCC1 ZINC001103722654 842753312 /nfs/dbraw/zinc/75/33/12/842753312.db2.gz YHCDFWRTAPGNHR-KFWWJZLASA-N 2 0 350.463 -0.038 20 0 FBADRP C[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1CCNC(=O)C[NH+]1CCCC1 ZINC001103722655 842752419 /nfs/dbraw/zinc/75/24/19/842752419.db2.gz YHCDFWRTAPGNHR-RBSFLKMASA-N 2 0 350.463 -0.038 20 0 FBADRP C[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1CCNC(=O)C[NH+]1CCCC1 ZINC001103723240 842752545 /nfs/dbraw/zinc/75/25/45/842752545.db2.gz AGOZQOPRULRADY-HUUCEWRRSA-N 2 0 360.524 -0.294 20 0 FBADRP C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001103723538 842752859 /nfs/dbraw/zinc/75/28/59/842752859.db2.gz PEKQYASENIRPOX-HZSPNIEDSA-N 2 0 353.467 -0.260 20 0 FBADRP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001103723539 842752897 /nfs/dbraw/zinc/75/28/97/842752897.db2.gz PEKQYASENIRPOX-MGPQQGTHSA-N 2 0 353.467 -0.260 20 0 FBADRP CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001103724693 842752636 /nfs/dbraw/zinc/75/26/36/842752636.db2.gz PMWYUHMHPGCCPS-BZUAXINKSA-N 2 0 354.495 -0.225 20 0 FBADRP CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001103724694 842752285 /nfs/dbraw/zinc/75/22/85/842752285.db2.gz PMWYUHMHPGCCPS-OWCLPIDISA-N 2 0 354.495 -0.225 20 0 FBADRP CNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)C(C)C)C1 ZINC001103755339 842758620 /nfs/dbraw/zinc/75/86/20/842758620.db2.gz CROCXZXCXWCYEX-ZIAGYGMSSA-N 2 0 355.483 -0.144 20 0 FBADRP CC(C)[N@H+](C)CC(=O)NCC[C@@H]1C[NH+](CCNS(C)(=O)=O)C[C@H]1C ZINC001103755513 842757829 /nfs/dbraw/zinc/75/78/29/842757829.db2.gz KBKXYGYVMALUTH-HUUCEWRRSA-N 2 0 362.540 -0.050 20 0 FBADRP CC(C)[N@H+](C)CC(=O)NCC[C@@H]1C[NH+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001103755882 842758585 /nfs/dbraw/zinc/75/85/85/842758585.db2.gz SFWNIQMKRSCLKY-HZSPNIEDSA-N 2 0 355.483 -0.016 20 0 FBADRP CC(C)[N@H+](C)CC(=O)NCC[C@@H]1C[NH+]([C@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001103755983 842758243 /nfs/dbraw/zinc/75/82/43/842758243.db2.gz SFWNIQMKRSCLKY-MGPQQGTHSA-N 2 0 355.483 -0.016 20 0 FBADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1CC[NH2+]CCNS(C)(=O)=O ZINC001103999493 842766390 /nfs/dbraw/zinc/76/63/90/842766390.db2.gz AOEDHCBNHHTZBS-KFWWJZLASA-N 2 0 360.524 -0.296 20 0 FBADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1CC[NH2+]CCNS(C)(=O)=O ZINC001103999494 842766501 /nfs/dbraw/zinc/76/65/01/842766501.db2.gz AOEDHCBNHHTZBS-RBSFLKMASA-N 2 0 360.524 -0.296 20 0 FBADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1CC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001103999530 842766467 /nfs/dbraw/zinc/76/64/67/842766467.db2.gz BQYPIDRWLOAXBG-MCIONIFRSA-N 2 0 350.467 -0.223 20 0 FBADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1CC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001103999531 842766158 /nfs/dbraw/zinc/76/61/58/842766158.db2.gz BQYPIDRWLOAXBG-MGPQQGTHSA-N 2 0 350.467 -0.223 20 0 FBADRP CNC(=O)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001103999620 842766553 /nfs/dbraw/zinc/76/65/53/842766553.db2.gz FJGYNQHHYKNFKB-MCIONIFRSA-N 2 0 353.467 -0.390 20 0 FBADRP CNC(=O)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001103999621 842766574 /nfs/dbraw/zinc/76/65/74/842766574.db2.gz FJGYNQHHYKNFKB-MGPQQGTHSA-N 2 0 353.467 -0.390 20 0 FBADRP C[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1CC[NH2+]CC(N)=O ZINC001104209885 842776776 /nfs/dbraw/zinc/77/67/76/842776776.db2.gz ZTCMERXCMNQMFB-ZIAGYGMSSA-N 2 0 350.467 -0.382 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(N)=O)C2)CC[N@@H+]1C ZINC001104210827 842776356 /nfs/dbraw/zinc/77/63/56/842776356.db2.gz CUZXAQAOYGEVED-AAVRWANBSA-N 2 0 353.467 -0.404 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCNS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001104212349 842776808 /nfs/dbraw/zinc/77/68/08/842776808.db2.gz CRQCKQLLXQLORC-KLHDSHLOSA-N 2 0 374.551 -0.050 20 0 FBADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1CC[NH2+]CC(=O)NC(N)=O ZINC001104287655 835997250 /nfs/dbraw/zinc/99/72/50/835997250.db2.gz JJASYPLTTXQOTC-CHWSQXEVSA-N 2 0 353.467 -0.260 20 0 FBADRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1CC[NH2+]CC(=O)NC(N)=O ZINC001104290861 835998806 /nfs/dbraw/zinc/99/88/06/835998806.db2.gz GQKORFKWQWKQOM-KYOSRNDESA-N 2 0 353.467 -0.404 20 0 FBADRP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1CC[NH2+]CC(=O)NC(N)=O ZINC001104290862 835998990 /nfs/dbraw/zinc/99/89/90/835998990.db2.gz GQKORFKWQWKQOM-UXIGCNINSA-N 2 0 353.467 -0.404 20 0 FBADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1CC[NH2+]CC(=O)NC(N)=O ZINC001104294354 835999645 /nfs/dbraw/zinc/99/96/45/835999645.db2.gz KYGXMMOUFVSMCU-CHWSQXEVSA-N 2 0 353.467 -0.260 20 0 FBADRP CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(N)=O)C1)[NH+](C)C ZINC001104319139 836004523 /nfs/dbraw/zinc/00/45/23/836004523.db2.gz FGTURVUICDDQRJ-NFAWXSAZSA-N 2 0 355.483 -0.158 20 0 FBADRP C[C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1CC[NH2+]CC(N)=O ZINC001104350792 836009329 /nfs/dbraw/zinc/00/93/29/836009329.db2.gz KNUMMSLGPMMPTK-HUUCEWRRSA-N 2 0 354.495 -0.096 20 0 FBADRP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1CC[NH2+]CC(N)=O ZINC001104433493 836028815 /nfs/dbraw/zinc/02/88/15/836028815.db2.gz GQKYLVPQONLYNK-ILLDSPSKSA-N 2 0 350.463 -0.591 20 0 FBADRP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1CC[NH2+]CC(N)=O ZINC001104433494 836028645 /nfs/dbraw/zinc/02/86/45/836028645.db2.gz GQKYLVPQONLYNK-PGJZFTLKSA-N 2 0 350.463 -0.591 20 0 FBADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1CC[NH2+]CC(=O)NC(N)=O ZINC001104594693 836049142 /nfs/dbraw/zinc/04/91/42/836049142.db2.gz DUUWCWCJQCCYDK-CHWSQXEVSA-N 2 0 353.467 -0.403 20 0 FBADRP C[C@H]([NH2+]CC[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C)C(=O)NC(N)=O ZINC001104599039 836048847 /nfs/dbraw/zinc/04/88/47/836048847.db2.gz JQDJUYJMNBNTLA-HZSPNIEDSA-N 2 0 355.483 -0.014 20 0 FBADRP C[C@@H]([NH2+]CC[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C)C(=O)NC(N)=O ZINC001104599040 836049215 /nfs/dbraw/zinc/04/92/15/836049215.db2.gz JQDJUYJMNBNTLA-MGPQQGTHSA-N 2 0 355.483 -0.014 20 0 FBADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1CC[NH2+]CCNS(C)(=O)=O ZINC001104599170 836048909 /nfs/dbraw/zinc/04/89/09/836048909.db2.gz JXLCIRJILIRWSX-HUUCEWRRSA-N 2 0 362.540 -0.048 20 0 FBADRP CNC(=O)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001104600032 836050274 /nfs/dbraw/zinc/05/02/74/836050274.db2.gz QIMOCVKHSQAQOM-ZIAGYGMSSA-N 2 0 355.483 -0.142 20 0 FBADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1CC[NH2+]CC(=O)NC(N)=O ZINC001104621507 836050780 /nfs/dbraw/zinc/05/07/80/836050780.db2.gz DXWSDAZLUGRVFA-TZMCWYRMSA-N 2 0 353.467 -0.403 20 0 FBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CC[NH2+]CCN(C)S(C)(=O)=O ZINC001104621573 836051044 /nfs/dbraw/zinc/05/10/44/836051044.db2.gz HDHQMFIOTIIKEH-HUUCEWRRSA-N 2 0 362.540 -0.096 20 0 FBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CC[NH2+]CC(=O)N1CCOCC1 ZINC001104622391 836050870 /nfs/dbraw/zinc/05/08/70/836050870.db2.gz VOQMIKVNLBMFBB-HZPDHXFCSA-N 2 0 354.495 -0.129 20 0 FBADRP CCNC(=O)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001104622438 836050826 /nfs/dbraw/zinc/05/08/26/836050826.db2.gz XGJYPGWIXQHAHY-ZIAGYGMSSA-N 2 0 355.483 -0.142 20 0 FBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001104625285 836051281 /nfs/dbraw/zinc/05/12/81/836051281.db2.gz DPJLDDMHYNAUQO-HZSPNIEDSA-N 2 0 355.483 -0.144 20 0 FBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001104625286 836050852 /nfs/dbraw/zinc/05/08/52/836050852.db2.gz DPJLDDMHYNAUQO-MGPQQGTHSA-N 2 0 355.483 -0.144 20 0 FBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CC[NH2+]CCN1C(=O)CNC1=O ZINC001104625426 836051244 /nfs/dbraw/zinc/05/12/44/836051244.db2.gz MBDVRCCIQUOZBT-ZIAGYGMSSA-N 2 0 353.467 -0.436 20 0 FBADRP CCS(=O)(=O)NCC[NH2+]CC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001104625427 836051323 /nfs/dbraw/zinc/05/13/23/836051323.db2.gz MCUWVHCRZHVYDS-HUUCEWRRSA-N 2 0 362.540 -0.048 20 0 FBADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1CC[NH2+]CC(=O)NC(N)=O ZINC001104676521 836053019 /nfs/dbraw/zinc/05/30/19/836053019.db2.gz NWYTWYYGMOMMLD-HZSPNIEDSA-N 2 0 353.467 -0.260 20 0 FBADRP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(N)=O)C1 ZINC001104676522 836053093 /nfs/dbraw/zinc/05/30/93/836053093.db2.gz NWYTWYYGMOMMLD-MGPQQGTHSA-N 2 0 353.467 -0.260 20 0 FBADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001104680460 836053436 /nfs/dbraw/zinc/05/34/36/836053436.db2.gz QXMFKHDDSMENDI-BFHYXJOUSA-N 2 0 353.467 -0.403 20 0 FBADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001104680462 836053545 /nfs/dbraw/zinc/05/35/45/836053545.db2.gz QXMFKHDDSMENDI-MGPQQGTHSA-N 2 0 353.467 -0.403 20 0 FBADRP CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(=O)NC)C1)[NH+](C)C ZINC001104690562 836053225 /nfs/dbraw/zinc/05/32/25/836053225.db2.gz HVPPIHYGLLNPHK-MCIONIFRSA-N 2 0 355.483 -0.144 20 0 FBADRP CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCNS(C)(=O)=O)C1)[NH+](C)C ZINC001104691852 836052828 /nfs/dbraw/zinc/05/28/28/836052828.db2.gz YEARJYNRFYFXKC-KFWWJZLASA-N 2 0 362.540 -0.050 20 0 FBADRP C[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1CC[NH2+]CC(N)=O ZINC001104782324 836063854 /nfs/dbraw/zinc/06/38/54/836063854.db2.gz UTYHOSNBGZXMPM-ZIAGYGMSSA-N 2 0 350.467 -0.382 20 0 FBADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(=O)NC)C1 ZINC001104810029 836066641 /nfs/dbraw/zinc/06/66/41/836066641.db2.gz WOPNVOMQNZEYKS-ZIAGYGMSSA-N 2 0 355.483 -0.142 20 0 FBADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001104811625 836066768 /nfs/dbraw/zinc/06/67/68/836066768.db2.gz DXFQBZNBILNBRO-HZSPNIEDSA-N 2 0 355.483 -0.014 20 0 FBADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001104811626 836066989 /nfs/dbraw/zinc/06/69/89/836066989.db2.gz DXFQBZNBILNBRO-MGPQQGTHSA-N 2 0 355.483 -0.014 20 0 FBADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCNS(C)(=O)=O)C1 ZINC001104813136 836066709 /nfs/dbraw/zinc/06/67/09/836066709.db2.gz ZPOLQUWZROXICI-HUUCEWRRSA-N 2 0 362.540 -0.048 20 0 FBADRP CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001104846753 836068338 /nfs/dbraw/zinc/06/83/38/836068338.db2.gz IMWIWIOQMODJES-HUUCEWRRSA-N 2 0 354.495 -0.083 20 0 FBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(=O)NC)C1 ZINC001104872618 836069457 /nfs/dbraw/zinc/06/94/57/836069457.db2.gz QMVVOQREKQJAOZ-ZIAGYGMSSA-N 2 0 355.483 -0.142 20 0 FBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001104874084 836068608 /nfs/dbraw/zinc/06/86/08/836068608.db2.gz OLJGDYLJBKMJQA-HZSPNIEDSA-N 2 0 355.483 -0.014 20 0 FBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001104874085 836069025 /nfs/dbraw/zinc/06/90/25/836069025.db2.gz OLJGDYLJBKMJQA-MGPQQGTHSA-N 2 0 355.483 -0.014 20 0 FBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCNS(C)(=O)=O)C1 ZINC001104874249 836068955 /nfs/dbraw/zinc/06/89/55/836068955.db2.gz QNLRXFQADNRRJM-HUUCEWRRSA-N 2 0 362.540 -0.048 20 0 FBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1CC[NH2+]Cc1cnn(C)n1 ZINC001104907927 836071431 /nfs/dbraw/zinc/07/14/31/836071431.db2.gz ACKVUOMOACMDEI-HUUCEWRRSA-N 2 0 352.483 -0.033 20 0 FBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1CC[NH2+][C@@H]1CCCNC1=O ZINC001104907953 836071062 /nfs/dbraw/zinc/07/10/62/836071062.db2.gz BRIVGYVEGKOVOS-BZUAXINKSA-N 2 0 354.495 -0.083 20 0 FBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1CC[NH2+][C@H]1CCCNC1=O ZINC001104907954 836071257 /nfs/dbraw/zinc/07/12/57/836071257.db2.gz BRIVGYVEGKOVOS-OAGGEKHMSA-N 2 0 354.495 -0.083 20 0 FBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1CC[NH2+]CCS(C)(=O)=O ZINC001104908002 836071122 /nfs/dbraw/zinc/07/11/22/836071122.db2.gz DODRAAFQHKQRGW-HUUCEWRRSA-N 2 0 363.524 -0.317 20 0 FBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1CC[NH2+]Cc1nncn1C ZINC001104908022 836070847 /nfs/dbraw/zinc/07/08/47/836070847.db2.gz FOZJQPAGMQDECY-HUUCEWRRSA-N 2 0 352.483 -0.033 20 0 FBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1CC[NH2+]Cc1nnnn1C ZINC001104908058 836071042 /nfs/dbraw/zinc/07/10/42/836071042.db2.gz HJPJGWOQGXDAJA-ZIAGYGMSSA-N 2 0 353.471 -0.638 20 0 FBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1CC[NH2+]Cc1cn(C)nn1 ZINC001104908201 836071224 /nfs/dbraw/zinc/07/12/24/836071224.db2.gz NIRFNDGSANARJY-HUUCEWRRSA-N 2 0 352.483 -0.033 20 0 FBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1CC[NH2+]CCn1cncn1 ZINC001104908221 836070936 /nfs/dbraw/zinc/07/09/36/836070936.db2.gz NWKPTCCKKINXNO-HZPDHXFCSA-N 2 0 352.483 -0.070 20 0 FBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1CC[NH2+]Cc1ncnn1C ZINC001104908240 836071186 /nfs/dbraw/zinc/07/11/86/836071186.db2.gz OJPKUJGYXYJIOD-HUUCEWRRSA-N 2 0 352.483 -0.033 20 0 FBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1CC[NH2+]CC(=O)NC1CC1 ZINC001104908274 836071268 /nfs/dbraw/zinc/07/12/68/836071268.db2.gz PNMIMHNCZLVZNN-HUUCEWRRSA-N 2 0 354.495 -0.083 20 0 FBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1CC[NH2+]CC(=O)N1CCC1 ZINC001104908334 836071141 /nfs/dbraw/zinc/07/11/41/836071141.db2.gz RXVAQHCWRVCACU-HZPDHXFCSA-N 2 0 354.495 -0.129 20 0 FBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1CC[NH2+]Cc1cnnn1C ZINC001104908391 836071206 /nfs/dbraw/zinc/07/12/06/836071206.db2.gz VCBANBKLQGLVAX-HUUCEWRRSA-N 2 0 352.483 -0.033 20 0 FBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1CC[NH2+][C@@H]1CCN(C)C1=O ZINC001104908422 836071103 /nfs/dbraw/zinc/07/11/03/836071103.db2.gz WKMKNXHEWKDWMJ-BZUAXINKSA-N 2 0 354.495 -0.131 20 0 FBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1CC[NH2+][C@H]1CCN(C)C1=O ZINC001104908423 836070719 /nfs/dbraw/zinc/07/07/19/836070719.db2.gz WKMKNXHEWKDWMJ-OAGGEKHMSA-N 2 0 354.495 -0.131 20 0 FBADRP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1CC[NH2+]CC(=O)NC(N)=O ZINC001104908486 836071012 /nfs/dbraw/zinc/07/10/12/836071012.db2.gz YXCLUSIZTTVGRC-HZSPNIEDSA-N 2 0 353.467 -0.403 20 0 FBADRP C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1CC[NH2+]CC(=O)NC(N)=O ZINC001104908487 836071280 /nfs/dbraw/zinc/07/12/80/836071280.db2.gz YXCLUSIZTTVGRC-MGPQQGTHSA-N 2 0 353.467 -0.403 20 0 FBADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1CC[NH2+]CC(=O)NC(N)=O ZINC001104912119 836070898 /nfs/dbraw/zinc/07/08/98/836070898.db2.gz LVQXTFZYMUPGSK-CHWSQXEVSA-N 2 0 351.451 -0.649 20 0 FBADRP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1CC[NH2+]CC(=O)NC(N)=O ZINC001104925027 836070946 /nfs/dbraw/zinc/07/09/46/836070946.db2.gz XXRAORTVECFXPR-ZIAGYGMSSA-N 2 0 355.483 -0.013 20 0 FBADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(N)=O)C1 ZINC001104932693 836072375 /nfs/dbraw/zinc/07/23/75/836072375.db2.gz HUEZIXHKKFDZBT-ZIAGYGMSSA-N 2 0 355.483 -0.013 20 0 FBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCNS(C)(=O)=O)C1 ZINC001104937804 836071737 /nfs/dbraw/zinc/07/17/37/836071737.db2.gz HZHOCSCCSOZFFK-HUUCEWRRSA-N 2 0 362.540 -0.048 20 0 FBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(=O)NC)C1 ZINC001104937858 836071698 /nfs/dbraw/zinc/07/16/98/836071698.db2.gz JSVMWXJFNHRCBR-ZIAGYGMSSA-N 2 0 355.483 -0.142 20 0 FBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001104939508 836071831 /nfs/dbraw/zinc/07/18/31/836071831.db2.gz SVGSGRKDWQFTTN-HZSPNIEDSA-N 2 0 355.483 -0.014 20 0 FBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001104939509 836071663 /nfs/dbraw/zinc/07/16/63/836071663.db2.gz SVGSGRKDWQFTTN-MGPQQGTHSA-N 2 0 355.483 -0.014 20 0 FBADRP CNC(=O)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001105007615 836074934 /nfs/dbraw/zinc/07/49/34/836074934.db2.gz CLAMCSRQDMFSBM-MCIONIFRSA-N 2 0 353.467 -0.532 20 0 FBADRP CNC(=O)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001105007620 836075234 /nfs/dbraw/zinc/07/52/34/836075234.db2.gz CLAMCSRQDMFSBM-MGPQQGTHSA-N 2 0 353.467 -0.532 20 0 FBADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1CC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001105008162 836075293 /nfs/dbraw/zinc/07/52/93/836075293.db2.gz SIXULYOOQPLPIE-MCIONIFRSA-N 2 0 350.467 -0.366 20 0 FBADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1CC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001105008163 836075350 /nfs/dbraw/zinc/07/53/50/836075350.db2.gz SIXULYOOQPLPIE-MGPQQGTHSA-N 2 0 350.467 -0.366 20 0 FBADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1CC[NH2+]CCNS(C)(=O)=O ZINC001105010723 836075158 /nfs/dbraw/zinc/07/51/58/836075158.db2.gz WWJAVOPIXRNSLG-KFWWJZLASA-N 2 0 360.524 -0.439 20 0 FBADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1CC[NH2+]CCNS(C)(=O)=O ZINC001105010724 836074651 /nfs/dbraw/zinc/07/46/51/836074651.db2.gz WWJAVOPIXRNSLG-RBSFLKMASA-N 2 0 360.524 -0.439 20 0 FBADRP Cc1nccn1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(N)=O)C1 ZINC001105013898 836075088 /nfs/dbraw/zinc/07/50/88/836075088.db2.gz ZXRXKRMQEMWAQM-DGCLKSJQSA-N 2 0 350.423 -0.539 20 0 FBADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1CC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001105014221 836076149 /nfs/dbraw/zinc/07/61/49/836076149.db2.gz HOEYNNMONMYGSH-ZIAGYGMSSA-N 2 0 350.467 -0.222 20 0 FBADRP CNC(=O)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001105014246 836076129 /nfs/dbraw/zinc/07/61/29/836076129.db2.gz IOPNSJRBTQWDLU-ZIAGYGMSSA-N 2 0 353.467 -0.388 20 0 FBADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1CC[NH2+]CCNS(C)(=O)=O ZINC001105014393 836075767 /nfs/dbraw/zinc/07/57/67/836075767.db2.gz NUUPHYMMDBMYMT-HUUCEWRRSA-N 2 0 360.524 -0.294 20 0 FBADRP CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001105016817 836075928 /nfs/dbraw/zinc/07/59/28/836075928.db2.gz BHRZKXDCRPILMG-BZUAXINKSA-N 2 0 354.495 -0.225 20 0 FBADRP CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001105016818 836076003 /nfs/dbraw/zinc/07/60/03/836076003.db2.gz BHRZKXDCRPILMG-OWCLPIDISA-N 2 0 354.495 -0.225 20 0 FBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001105067396 836080048 /nfs/dbraw/zinc/08/00/48/836080048.db2.gz YVKCBJVNNORMMS-HZSPNIEDSA-N 2 0 355.483 -0.016 20 0 FBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001105067397 836079627 /nfs/dbraw/zinc/07/96/27/836079627.db2.gz YVKCBJVNNORMMS-MGPQQGTHSA-N 2 0 355.483 -0.016 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N2CC(n3cc(C[NH2+]CCCO)nn3)C2)CC[N@@H+]1C ZINC001105244225 836083311 /nfs/dbraw/zinc/08/33/11/836083311.db2.gz RENRTVKOBKFCFO-JKSUJKDBSA-N 2 0 350.467 -0.136 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N2CC(n3cc(C[NH2+]C[C@@H](C)O)nn3)C2)CC[N@@H+]1C ZINC001105244466 836083140 /nfs/dbraw/zinc/08/31/40/836083140.db2.gz YKQDKICYIYUXCJ-UHOFOFEASA-N 2 0 350.467 -0.138 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N2CC(n3cc(C[NH2+]C[C@H](C)O)nn3)C2)CC[N@@H+]1C ZINC001105244467 836083246 /nfs/dbraw/zinc/08/32/46/836083246.db2.gz YKQDKICYIYUXCJ-VBNZEHGJSA-N 2 0 350.467 -0.138 20 0 FBADRP CC(C)[C@H]1N(C(=O)CCC[NH+](C)C)C[C@]12C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2 ZINC001105651890 836519350 /nfs/dbraw/zinc/51/93/50/836519350.db2.gz JSZMBOJQHUPEJV-DTDBQYNISA-N 2 0 354.495 -0.220 20 0 FBADRP CC(C)[C@H]1N(C(=O)CCC[NH+](C)C)C[C@@]12C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2 ZINC001105651891 836519368 /nfs/dbraw/zinc/51/93/68/836519368.db2.gz JSZMBOJQHUPEJV-DTTOXWODSA-N 2 0 354.495 -0.220 20 0 FBADRP CC(C)[C@@H]1N(C(=O)CCC[NH+](C)C)C[C@@]12C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2 ZINC001105651892 836519115 /nfs/dbraw/zinc/51/91/15/836519115.db2.gz JSZMBOJQHUPEJV-KJWYOANISA-N 2 0 354.495 -0.220 20 0 FBADRP CC(C)[C@@H]1N(C(=O)CCC[NH+](C)C)C[C@]12C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2 ZINC001105651893 836519002 /nfs/dbraw/zinc/51/90/02/836519002.db2.gz JSZMBOJQHUPEJV-KNCCTNLNSA-N 2 0 354.495 -0.220 20 0 FBADRP CNC(=O)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC[NH+](C)C)[C@@H]2C(C)C)C[C@H]1O ZINC001105658262 836522995 /nfs/dbraw/zinc/52/29/95/836522995.db2.gz DRZYZXYBFAOYTC-DTDBQYNISA-N 2 0 354.495 -0.350 20 0 FBADRP CNC(=O)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CC[NH+](C)C)[C@@H]2C(C)C)C[C@H]1O ZINC001105658265 836522736 /nfs/dbraw/zinc/52/27/36/836522736.db2.gz DRZYZXYBFAOYTC-DTTOXWODSA-N 2 0 354.495 -0.350 20 0 FBADRP CNC(=O)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CC[NH+](C)C)[C@H]2C(C)C)C[C@H]1O ZINC001105658267 836522282 /nfs/dbraw/zinc/52/22/82/836522282.db2.gz DRZYZXYBFAOYTC-KJWYOANISA-N 2 0 354.495 -0.350 20 0 FBADRP CNC(=O)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC[NH+](C)C)[C@H]2C(C)C)C[C@H]1O ZINC001105658269 836522510 /nfs/dbraw/zinc/52/25/10/836522510.db2.gz DRZYZXYBFAOYTC-KNCCTNLNSA-N 2 0 354.495 -0.350 20 0 FBADRP CC[NH+](CC)CC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2)[C@H]1C(C)C ZINC001105661381 836523754 /nfs/dbraw/zinc/52/37/54/836523754.db2.gz IHIWAZXUFZDRAE-DTDBQYNISA-N 2 0 354.495 -0.220 20 0 FBADRP CC[NH+](CC)CC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2)[C@H]1C(C)C ZINC001105661382 836523730 /nfs/dbraw/zinc/52/37/30/836523730.db2.gz IHIWAZXUFZDRAE-DTTOXWODSA-N 2 0 354.495 -0.220 20 0 FBADRP CC[NH+](CC)CC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2)[C@@H]1C(C)C ZINC001105661383 836523481 /nfs/dbraw/zinc/52/34/81/836523481.db2.gz IHIWAZXUFZDRAE-KJWYOANISA-N 2 0 354.495 -0.220 20 0 FBADRP CC[NH+](CC)CC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2)[C@@H]1C(C)C ZINC001105661384 836523834 /nfs/dbraw/zinc/52/38/34/836523834.db2.gz IHIWAZXUFZDRAE-KNCCTNLNSA-N 2 0 354.495 -0.220 20 0 FBADRP CC[N@H+](C)CCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2)[C@H]1C(C)C ZINC001105666924 836527831 /nfs/dbraw/zinc/52/78/31/836527831.db2.gz LEGHSUVRQVRYTO-DTDBQYNISA-N 2 0 354.495 -0.220 20 0 FBADRP CC[N@H+](C)CCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2)[C@H]1C(C)C ZINC001105666925 836527350 /nfs/dbraw/zinc/52/73/50/836527350.db2.gz LEGHSUVRQVRYTO-DTTOXWODSA-N 2 0 354.495 -0.220 20 0 FBADRP CC[N@H+](C)CCC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2)[C@@H]1C(C)C ZINC001105666926 836527448 /nfs/dbraw/zinc/52/74/48/836527448.db2.gz LEGHSUVRQVRYTO-KJWYOANISA-N 2 0 354.495 -0.220 20 0 FBADRP CC[N@H+](C)CCC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2)[C@@H]1C(C)C ZINC001105666927 836527761 /nfs/dbraw/zinc/52/77/61/836527761.db2.gz LEGHSUVRQVRYTO-KNCCTNLNSA-N 2 0 354.495 -0.220 20 0 FBADRP CC(C)[C@H]1N(C(=O)COCC[NH+](C)C)C[C@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001105667212 836529628 /nfs/dbraw/zinc/52/96/28/836529628.db2.gz PLXDILREYNDVHO-AHCXZYCDSA-N 2 0 357.495 -0.477 20 0 FBADRP CC(C)[C@H]1N(C(=O)COCC[NH+](C)C)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001105667213 836529280 /nfs/dbraw/zinc/52/92/80/836529280.db2.gz PLXDILREYNDVHO-JOCBIADPSA-N 2 0 357.495 -0.477 20 0 FBADRP CC(C)[C@@H]1N(C(=O)COCC[NH+](C)C)C[C@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001105667214 836529761 /nfs/dbraw/zinc/52/97/61/836529761.db2.gz PLXDILREYNDVHO-LMSBXDPUSA-N 2 0 357.495 -0.477 20 0 FBADRP CC(C)[C@@H]1N(C(=O)COCC[NH+](C)C)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001105667215 836529734 /nfs/dbraw/zinc/52/97/34/836529734.db2.gz PLXDILREYNDVHO-XYVMCAHJSA-N 2 0 357.495 -0.477 20 0 FBADRP CCC[N@H+](C)CC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2)[C@H]1C(C)C ZINC001105669480 836531562 /nfs/dbraw/zinc/53/15/62/836531562.db2.gz SCKGKAJHZVNOPX-DTDBQYNISA-N 2 0 354.495 -0.220 20 0 FBADRP CCC[N@H+](C)CC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2)[C@H]1C(C)C ZINC001105669481 836531373 /nfs/dbraw/zinc/53/13/73/836531373.db2.gz SCKGKAJHZVNOPX-DTTOXWODSA-N 2 0 354.495 -0.220 20 0 FBADRP CCC[N@H+](C)CC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2)[C@@H]1C(C)C ZINC001105669482 836531172 /nfs/dbraw/zinc/53/11/72/836531172.db2.gz SCKGKAJHZVNOPX-KJWYOANISA-N 2 0 354.495 -0.220 20 0 FBADRP CCC[N@H+](C)CC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2)[C@@H]1C(C)C ZINC001105669483 836531441 /nfs/dbraw/zinc/53/14/41/836531441.db2.gz SCKGKAJHZVNOPX-KNCCTNLNSA-N 2 0 354.495 -0.220 20 0 FBADRP CC(C)[C@H]1N(C(=O)C[N@H+](C)C(C)C)C[C@]12C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2 ZINC001105676825 836540231 /nfs/dbraw/zinc/54/02/31/836540231.db2.gz ZCYQXXCCXCYDLQ-DTDBQYNISA-N 2 0 354.495 -0.222 20 0 FBADRP CC(C)[C@H]1N(C(=O)C[N@H+](C)C(C)C)C[C@@]12C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2 ZINC001105676826 836540378 /nfs/dbraw/zinc/54/03/78/836540378.db2.gz ZCYQXXCCXCYDLQ-DTTOXWODSA-N 2 0 354.495 -0.222 20 0 FBADRP CC(C)[C@@H]1N(C(=O)C[N@H+](C)C(C)C)C[C@@]12C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2 ZINC001105676827 836540257 /nfs/dbraw/zinc/54/02/57/836540257.db2.gz ZCYQXXCCXCYDLQ-KJWYOANISA-N 2 0 354.495 -0.222 20 0 FBADRP CC(C)[C@@H]1N(C(=O)C[N@H+](C)C(C)C)C[C@]12C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2 ZINC001105676828 836540349 /nfs/dbraw/zinc/54/03/49/836540349.db2.gz ZCYQXXCCXCYDLQ-KNCCTNLNSA-N 2 0 354.495 -0.222 20 0 FBADRP CC(=O)NCCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001105941694 836902212 /nfs/dbraw/zinc/90/22/12/836902212.db2.gz IHVBOIOPTJNQIK-DJIMGWMZSA-N 2 0 354.495 -0.083 20 0 FBADRP CC(=O)NCCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001105941695 836902283 /nfs/dbraw/zinc/90/22/83/836902283.db2.gz IHVBOIOPTJNQIK-OIISXLGYSA-N 2 0 354.495 -0.083 20 0 FBADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001105942014 836902592 /nfs/dbraw/zinc/90/25/92/836902592.db2.gz USXAPIXESXNXME-MCIONIFRSA-N 2 0 351.451 -0.684 20 0 FBADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001105942015 836901950 /nfs/dbraw/zinc/90/19/50/836901950.db2.gz USXAPIXESXNXME-MGPQQGTHSA-N 2 0 351.451 -0.684 20 0 FBADRP CCS(=O)(=O)NCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001105942090 836902016 /nfs/dbraw/zinc/90/20/16/836902016.db2.gz XVBLBEUTPPSWDR-KFWWJZLASA-N 2 0 360.524 -0.296 20 0 FBADRP CCS(=O)(=O)NCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001105942091 836902386 /nfs/dbraw/zinc/90/23/86/836902386.db2.gz XVBLBEUTPPSWDR-RBSFLKMASA-N 2 0 360.524 -0.296 20 0 FBADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CCN1C(=O)CCC1=O ZINC001105945374 836901815 /nfs/dbraw/zinc/90/18/15/836901815.db2.gz VHVQYBPLCMWGFE-KFWWJZLASA-N 2 0 350.463 -0.086 20 0 FBADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CCN1C(=O)CCC1=O ZINC001105945375 836902542 /nfs/dbraw/zinc/90/25/42/836902542.db2.gz VHVQYBPLCMWGFE-RBSFLKMASA-N 2 0 350.463 -0.086 20 0 FBADRP CCOCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001105945430 836902419 /nfs/dbraw/zinc/90/24/19/836902419.db2.gz XMFOYIPGTRCZDE-BZUAXINKSA-N 2 0 354.495 -0.083 20 0 FBADRP CCOCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001105945431 836902573 /nfs/dbraw/zinc/90/25/73/836902573.db2.gz XMFOYIPGTRCZDE-OAGGEKHMSA-N 2 0 354.495 -0.083 20 0 FBADRP CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001105945463 836902530 /nfs/dbraw/zinc/90/25/30/836902530.db2.gz YHRULSNQEKXTDL-MCIONIFRSA-N 2 0 353.467 -0.390 20 0 FBADRP CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001105945464 836901657 /nfs/dbraw/zinc/90/16/57/836901657.db2.gz YHRULSNQEKXTDL-MGPQQGTHSA-N 2 0 353.467 -0.390 20 0 FBADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CC(=O)N1CCOCC1 ZINC001105945871 836902167 /nfs/dbraw/zinc/90/21/67/836902167.db2.gz GZIGFIVYRSUELE-BZUAXINKSA-N 2 0 352.479 -0.377 20 0 FBADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CC(=O)N1CCOCC1 ZINC001105945872 836901889 /nfs/dbraw/zinc/90/18/89/836901889.db2.gz GZIGFIVYRSUELE-OAGGEKHMSA-N 2 0 352.479 -0.377 20 0 FBADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CCN(C)S(C)(=O)=O ZINC001105946058 836901851 /nfs/dbraw/zinc/90/18/51/836901851.db2.gz KAVBKNWGEYHRRR-KFWWJZLASA-N 2 0 360.524 -0.344 20 0 FBADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CCN(C)S(C)(=O)=O ZINC001105946059 836902310 /nfs/dbraw/zinc/90/23/10/836902310.db2.gz KAVBKNWGEYHRRR-RBSFLKMASA-N 2 0 360.524 -0.344 20 0 FBADRP COCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001105946406 836902557 /nfs/dbraw/zinc/90/25/57/836902557.db2.gz SNATVXSZEIHQCT-BZUAXINKSA-N 2 0 354.495 -0.083 20 0 FBADRP COCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001105946407 836901789 /nfs/dbraw/zinc/90/17/89/836901789.db2.gz SNATVXSZEIHQCT-OAGGEKHMSA-N 2 0 354.495 -0.083 20 0 FBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001106112020 836966788 /nfs/dbraw/zinc/96/67/88/836966788.db2.gz VQMZTBBDVFIZRX-MCIONIFRSA-N 2 0 353.467 -0.262 20 0 FBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001106112021 836966922 /nfs/dbraw/zinc/96/69/22/836966922.db2.gz VQMZTBBDVFIZRX-MGPQQGTHSA-N 2 0 353.467 -0.262 20 0 FBADRP C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106143254 837018356 /nfs/dbraw/zinc/01/83/56/837018356.db2.gz ZZSNSTCPGCCKOM-BNOWGMLFSA-N 2 0 351.451 -0.793 20 0 FBADRP C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106143255 837018402 /nfs/dbraw/zinc/01/84/02/837018402.db2.gz ZZSNSTCPGCCKOM-MRVWCRGKSA-N 2 0 351.451 -0.793 20 0 FBADRP C[C@H]([NH2+]C[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C)C(N)=O ZINC001106145554 837020076 /nfs/dbraw/zinc/02/00/76/837020076.db2.gz AZPTZCVJRYCNMM-HZSPNIEDSA-N 2 0 350.467 -0.384 20 0 FBADRP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C)C(N)=O ZINC001106145555 837020289 /nfs/dbraw/zinc/02/02/89/837020289.db2.gz AZPTZCVJRYCNMM-MGPQQGTHSA-N 2 0 350.467 -0.384 20 0 FBADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C ZINC001106145768 837020256 /nfs/dbraw/zinc/02/02/56/837020256.db2.gz GHITZNIVPWNBCN-ZIAGYGMSSA-N 2 0 350.467 -0.512 20 0 FBADRP CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC001106148013 837020564 /nfs/dbraw/zinc/02/05/64/837020564.db2.gz BQKGECQPKQCJAE-AAVRWANBSA-N 2 0 353.467 -0.534 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2C[C@@H](C[NH2+]CCN(C)S(C)(=O)=O)[C@H](C)C2)CC[N@@H+]1C ZINC001106149325 837020805 /nfs/dbraw/zinc/02/08/05/837020805.db2.gz GCJDXURNHHNKBO-KLHDSHLOSA-N 2 0 374.551 -0.098 20 0 FBADRP CCS(=O)(=O)NCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC001106149394 837021182 /nfs/dbraw/zinc/02/11/82/837021182.db2.gz IGQHPKPQJDRIIE-KLHDSHLOSA-N 2 0 374.551 -0.050 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2C[C@@H](C[NH2+]CCNS(C)(=O)=O)[C@H](C)C2)CC[N@@H+]1C ZINC001106149774 837020974 /nfs/dbraw/zinc/02/09/74/837020974.db2.gz REAILJWFDZTSKW-KBUPBQIOSA-N 2 0 360.524 -0.440 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C2)CC[N@@H+]1C ZINC001106150889 837021032 /nfs/dbraw/zinc/02/10/32/837021032.db2.gz GCLAZFIOCZALIM-YIYPIFLZSA-N 2 0 353.467 -0.404 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C[NH2+]CCNS(C)(=O)=O)[C@H](C)C2)CC[N@@H+]1C ZINC001106152439 837021795 /nfs/dbraw/zinc/02/17/95/837021795.db2.gz UYEOKPXKMWDEHH-LVQVYYBASA-N 2 0 374.551 -0.050 20 0 FBADRP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001106198453 837040606 /nfs/dbraw/zinc/04/06/06/837040606.db2.gz BEBZINICFJDGNN-JHJVBQTASA-N 2 0 359.446 -0.455 20 0 FBADRP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001106198454 837040593 /nfs/dbraw/zinc/04/05/93/837040593.db2.gz BEBZINICFJDGNN-UPJWGTAASA-N 2 0 359.446 -0.455 20 0 FBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001106211000 837045305 /nfs/dbraw/zinc/04/53/05/837045305.db2.gz LXPLLNVFNWGBGY-MCIONIFRSA-N 2 0 353.467 -0.260 20 0 FBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001106211001 837045461 /nfs/dbraw/zinc/04/54/61/837045461.db2.gz LXPLLNVFNWGBGY-MGPQQGTHSA-N 2 0 353.467 -0.260 20 0 FBADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C[C@H]1C[NH2+]CC(N)=O ZINC001106246720 837050734 /nfs/dbraw/zinc/05/07/34/837050734.db2.gz PXXOIMNCHPGMHA-FMKPAKJESA-N 2 0 352.479 -0.201 20 0 FBADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C[C@H]1C[NH2+]CC(N)=O ZINC001106246721 837050893 /nfs/dbraw/zinc/05/08/93/837050893.db2.gz PXXOIMNCHPGMHA-IIAWOOMASA-N 2 0 352.479 -0.201 20 0 FBADRP CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001106246998 837050599 /nfs/dbraw/zinc/05/05/99/837050599.db2.gz UAXBFULYKYHWGE-CHWSQXEVSA-N 2 0 353.467 -0.390 20 0 FBADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001106247352 837051200 /nfs/dbraw/zinc/05/12/00/837051200.db2.gz YACQTZSCWHAEQQ-ZIAGYGMSSA-N 2 0 360.524 -0.296 20 0 FBADRP C[C@H]([NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C)C(=O)NC(N)=O ZINC001106248674 837051119 /nfs/dbraw/zinc/05/11/19/837051119.db2.gz VJDXBSYNOZXYCV-FRRDWIJNSA-N 2 0 353.467 -0.262 20 0 FBADRP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C)C(=O)NC(N)=O ZINC001106248675 837052039 /nfs/dbraw/zinc/05/20/39/837052039.db2.gz VJDXBSYNOZXYCV-JHJVBQTASA-N 2 0 353.467 -0.262 20 0 FBADRP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001106249958 837052002 /nfs/dbraw/zinc/05/20/02/837052002.db2.gz UYNZDGGOHOWNFQ-BPLDGKMQSA-N 2 0 360.524 -0.440 20 0 FBADRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001106249962 837051697 /nfs/dbraw/zinc/05/16/97/837051697.db2.gz UYNZDGGOHOWNFQ-YUELXQCFSA-N 2 0 360.524 -0.440 20 0 FBADRP CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001106250016 837052315 /nfs/dbraw/zinc/05/23/15/837052315.db2.gz VZAYQEJGCNXRHB-KYOSRNDESA-N 2 0 353.467 -0.534 20 0 FBADRP CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001106250017 837051531 /nfs/dbraw/zinc/05/15/31/837051531.db2.gz VZAYQEJGCNXRHB-UXIGCNINSA-N 2 0 353.467 -0.534 20 0 FBADRP CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001106255580 837051563 /nfs/dbraw/zinc/05/15/63/837051563.db2.gz YPRZHRRLEZJCOP-CHWSQXEVSA-N 2 0 353.467 -0.390 20 0 FBADRP C[C@H]([NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C)C(=O)NC(N)=O ZINC001106255775 837051609 /nfs/dbraw/zinc/05/16/09/837051609.db2.gz IOBPGWIVMNZBRK-FRRDWIJNSA-N 2 0 353.467 -0.262 20 0 FBADRP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C)C(=O)NC(N)=O ZINC001106255776 837052081 /nfs/dbraw/zinc/05/20/81/837052081.db2.gz IOBPGWIVMNZBRK-JHJVBQTASA-N 2 0 353.467 -0.262 20 0 FBADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001106256107 837051938 /nfs/dbraw/zinc/05/19/38/837051938.db2.gz YJZUMCJFJHDSAT-ZIAGYGMSSA-N 2 0 360.524 -0.296 20 0 FBADRP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106271798 837054939 /nfs/dbraw/zinc/05/49/39/837054939.db2.gz LYRAXSXRGQESIR-MCIONIFRSA-N 2 0 353.467 -0.260 20 0 FBADRP C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106271800 837055373 /nfs/dbraw/zinc/05/53/73/837055373.db2.gz LYRAXSXRGQESIR-MGPQQGTHSA-N 2 0 353.467 -0.260 20 0 FBADRP CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001106282079 837058760 /nfs/dbraw/zinc/05/87/60/837058760.db2.gz SNEDRBZCKPZNOZ-NFAWXSAZSA-N 2 0 355.483 -0.288 20 0 FBADRP CC(C)[C@@H](C(=O)N1C[C@@H](C[NH2+]CCNS(C)(=O)=O)[C@H](C)C1)[NH+](C)C ZINC001106282123 837059853 /nfs/dbraw/zinc/05/98/53/837059853.db2.gz UZORIYDMSMJBCG-KFWWJZLASA-N 2 0 362.540 -0.194 20 0 FBADRP CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C ZINC001106309034 837062560 /nfs/dbraw/zinc/06/25/60/837062560.db2.gz MRUJUVRUYTUWTH-MGPQQGTHSA-N 2 0 355.483 -0.144 20 0 FBADRP CC[C@H](C(=O)N1C[C@@H](C[NH2+]CCN2C(=O)CNC2=O)[C@H](C)C1)[NH+](C)C ZINC001106312610 837062828 /nfs/dbraw/zinc/06/28/28/837062828.db2.gz KPSORMMJYSKSNX-MGPQQGTHSA-N 2 0 353.467 -0.438 20 0 FBADRP CC[C@H](C(=O)N1C[C@@H](C[NH2+]CCN(C)S(C)(=O)=O)[C@H](C)C1)[NH+](C)C ZINC001106312747 837062769 /nfs/dbraw/zinc/06/27/69/837062769.db2.gz NCLCAAWABLTCDF-RBSFLKMASA-N 2 0 362.540 -0.098 20 0 FBADRP CC[C@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCOCC2)[C@H](C)C1)[NH+](C)C ZINC001106313051 837063062 /nfs/dbraw/zinc/06/30/62/837063062.db2.gz ULZJXMBYWMAJTI-BZUAXINKSA-N 2 0 354.495 -0.131 20 0 FBADRP CC[C@H](C(=O)N1C[C@@H](C[NH2+]CCNS(=O)(=O)CC)[C@H](C)C1)[NH+](C)C ZINC001106313328 837063359 /nfs/dbraw/zinc/06/33/59/837063359.db2.gz WYSRZRWSMWIUHQ-RBSFLKMASA-N 2 0 362.540 -0.050 20 0 FBADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1C ZINC001106316154 837063377 /nfs/dbraw/zinc/06/33/77/837063377.db2.gz GMWBYJJWHVQVPK-HUUCEWRRSA-N 2 0 354.495 -0.225 20 0 FBADRP C[C@H]([NH2+]C[C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1C)C(N)=O ZINC001106316360 837063499 /nfs/dbraw/zinc/06/34/99/837063499.db2.gz RHHSSHJKURITIT-QLFBSQMISA-N 2 0 354.495 -0.097 20 0 FBADRP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1C)C(N)=O ZINC001106316361 837063003 /nfs/dbraw/zinc/06/30/03/837063003.db2.gz RHHSSHJKURITIT-RBSFLKMASA-N 2 0 354.495 -0.097 20 0 FBADRP CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001106322104 837064276 /nfs/dbraw/zinc/06/42/76/837064276.db2.gz JTNLNXYALPNFMO-MCIONIFRSA-N 2 0 353.467 -0.390 20 0 FBADRP CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001106322105 837064082 /nfs/dbraw/zinc/06/40/82/837064082.db2.gz JTNLNXYALPNFMO-MGPQQGTHSA-N 2 0 353.467 -0.390 20 0 FBADRP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001106322690 837062961 /nfs/dbraw/zinc/06/29/61/837062961.db2.gz QRIQJOOWBCQXOJ-KFWWJZLASA-N 2 0 360.524 -0.296 20 0 FBADRP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001106322691 837063515 /nfs/dbraw/zinc/06/35/15/837063515.db2.gz QRIQJOOWBCQXOJ-RBSFLKMASA-N 2 0 360.524 -0.296 20 0 FBADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)[C@H](C)C1 ZINC001106336365 837065866 /nfs/dbraw/zinc/06/58/66/837065866.db2.gz KILDGWHYOSDABH-FRRDWIJNSA-N 2 0 355.483 -0.016 20 0 FBADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NC(N)=O)[C@H](C)C1 ZINC001106336366 837066005 /nfs/dbraw/zinc/06/60/05/837066005.db2.gz KILDGWHYOSDABH-JHJVBQTASA-N 2 0 355.483 -0.016 20 0 FBADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CCNS(C)(=O)=O)[C@H](C)C1 ZINC001106336556 837066264 /nfs/dbraw/zinc/06/62/64/837066264.db2.gz UCIUWHDEXOGTIO-ZIAGYGMSSA-N 2 0 362.540 -0.050 20 0 FBADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NC)[C@H](C)C1 ZINC001106340413 837065789 /nfs/dbraw/zinc/06/57/89/837065789.db2.gz WVSKJQQFCBQHPQ-CHWSQXEVSA-N 2 0 355.483 -0.144 20 0 FBADRP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106371405 837068990 /nfs/dbraw/zinc/06/89/90/837068990.db2.gz YVWSOWXBSQHGRE-CHWSQXEVSA-N 2 0 351.451 -0.506 20 0 FBADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001106455261 837074844 /nfs/dbraw/zinc/07/48/44/837074844.db2.gz JBZNMDOMGDIWFC-ILLDSPSKSA-N 2 0 350.463 -0.720 20 0 FBADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001106455262 837074587 /nfs/dbraw/zinc/07/45/87/837074587.db2.gz JBZNMDOMGDIWFC-PGJZFTLKSA-N 2 0 350.463 -0.720 20 0 FBADRP C[C@@H]1CN(C(=O)[C@@H]2COCCN2CC2CCC2)C[C@H]1C[NH2+]CC(N)=O ZINC001106474213 837075880 /nfs/dbraw/zinc/07/58/80/837075880.db2.gz IEVRTOPGJAOFPX-BMFZPTHFSA-N 2 0 352.479 -0.343 20 0 FBADRP C[C@@H]1CN(C(=O)[C@H]2COCCN2CC2CCC2)C[C@H]1C[NH2+]CC(N)=O ZINC001106474216 837075390 /nfs/dbraw/zinc/07/53/90/837075390.db2.gz IEVRTOPGJAOFPX-FVQBIDKESA-N 2 0 352.479 -0.343 20 0 FBADRP CCCCN1CCOC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NC)[C@H](C)C1 ZINC001106474596 837075731 /nfs/dbraw/zinc/07/57/31/837075731.db2.gz OOJSKVNJFYCOIZ-BZUAXINKSA-N 2 0 354.495 -0.083 20 0 FBADRP CCCCN1CCOC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NC)[C@H](C)C1 ZINC001106474597 837076051 /nfs/dbraw/zinc/07/60/51/837076051.db2.gz OOJSKVNJFYCOIZ-OAGGEKHMSA-N 2 0 354.495 -0.083 20 0 FBADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106515789 837079968 /nfs/dbraw/zinc/07/99/68/837079968.db2.gz CXWGTKHCAGQELW-CHWSQXEVSA-N 2 0 353.467 -0.260 20 0 FBADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106581739 837084551 /nfs/dbraw/zinc/08/45/51/837084551.db2.gz MIBJYPANUZGFSO-ZOBORPQBSA-N 2 0 353.467 -0.404 20 0 FBADRP CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001106591697 837085409 /nfs/dbraw/zinc/08/54/09/837085409.db2.gz KFGQLYIVMGOHDN-CHWSQXEVSA-N 2 0 353.467 -0.532 20 0 FBADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C[NH2+][C@H]1CCC(=O)NC1=O ZINC001106592901 837084987 /nfs/dbraw/zinc/08/49/87/837084987.db2.gz YAPCJJOUWCRZLG-MCIONIFRSA-N 2 0 350.463 -0.183 20 0 FBADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001106592905 837085337 /nfs/dbraw/zinc/08/53/37/837085337.db2.gz YAPCJJOUWCRZLG-MGPQQGTHSA-N 2 0 350.463 -0.183 20 0 FBADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001106593065 837085384 /nfs/dbraw/zinc/08/53/84/837085384.db2.gz ZBZLDOBARWMGTR-CHWSQXEVSA-N 2 0 350.467 -0.366 20 0 FBADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001106593593 837085204 /nfs/dbraw/zinc/08/52/04/837085204.db2.gz GBVCBFRJHHPQMC-ZIAGYGMSSA-N 2 0 360.524 -0.439 20 0 FBADRP C[C@H]([NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C)C(=O)NC(N)=O ZINC001106594542 837085931 /nfs/dbraw/zinc/08/59/31/837085931.db2.gz UYPMVHNSPISNCY-FRRDWIJNSA-N 2 0 353.467 -0.404 20 0 FBADRP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C)C(=O)NC(N)=O ZINC001106594543 837086018 /nfs/dbraw/zinc/08/60/18/837086018.db2.gz UYPMVHNSPISNCY-JHJVBQTASA-N 2 0 353.467 -0.404 20 0 FBADRP CCS(=O)(=O)NCC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001106599410 837085873 /nfs/dbraw/zinc/08/58/73/837085873.db2.gz GWZXDAVNBGCESB-HUUCEWRRSA-N 2 0 362.540 -0.048 20 0 FBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001106599413 837086128 /nfs/dbraw/zinc/08/61/28/837086128.db2.gz HBVZWMNUWLSLEN-HZSPNIEDSA-N 2 0 355.483 -0.144 20 0 FBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001106599414 837086403 /nfs/dbraw/zinc/08/64/03/837086403.db2.gz HBVZWMNUWLSLEN-MGPQQGTHSA-N 2 0 355.483 -0.144 20 0 FBADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C[NH2+]CC(=O)N1CCOCC1 ZINC001106599449 837085777 /nfs/dbraw/zinc/08/57/77/837085777.db2.gz ILNCFOAOPIZACN-HZPDHXFCSA-N 2 0 354.495 -0.129 20 0 FBADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001106599582 837086091 /nfs/dbraw/zinc/08/60/91/837086091.db2.gz NDDHUWNJTHJUIF-ZIAGYGMSSA-N 2 0 353.467 -0.436 20 0 FBADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C[NH2+]CCN(C)S(C)(=O)=O ZINC001106599929 837085853 /nfs/dbraw/zinc/08/58/53/837085853.db2.gz QNMBGGNUSAGKHX-HUUCEWRRSA-N 2 0 362.540 -0.096 20 0 FBADRP CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001106599961 837086437 /nfs/dbraw/zinc/08/64/37/837086437.db2.gz QUAKWUJQXMGNTC-ZIAGYGMSSA-N 2 0 355.483 -0.142 20 0 FBADRP CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001106621365 837088693 /nfs/dbraw/zinc/08/86/93/837088693.db2.gz HMTVJHDOZBLVKX-TZMCWYRMSA-N 2 0 353.467 -0.532 20 0 FBADRP C[C@H]([NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C)C(=O)NC(N)=O ZINC001106621482 837089280 /nfs/dbraw/zinc/08/92/80/837089280.db2.gz NFQQWORACHQJBG-MBNYWOFBSA-N 2 0 353.467 -0.404 20 0 FBADRP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C)C(=O)NC(N)=O ZINC001106621483 837089104 /nfs/dbraw/zinc/08/91/04/837089104.db2.gz NFQQWORACHQJBG-YRGRVCCFSA-N 2 0 353.467 -0.404 20 0 FBADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001106621643 837089232 /nfs/dbraw/zinc/08/92/32/837089232.db2.gz WRYKTMZKFXDOLU-UKRRQHHQSA-N 2 0 360.524 -0.439 20 0 FBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001106622480 837089454 /nfs/dbraw/zinc/08/94/54/837089454.db2.gz AOLRCZKWWXONJV-CHWSQXEVSA-N 2 0 353.467 -0.390 20 0 FBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001106622503 837089201 /nfs/dbraw/zinc/08/92/01/837089201.db2.gz BNLCFGYRXAHFSU-HZSPNIEDSA-N 2 0 355.483 -0.144 20 0 FBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001106622504 837089024 /nfs/dbraw/zinc/08/90/24/837089024.db2.gz BNLCFGYRXAHFSU-MGPQQGTHSA-N 2 0 355.483 -0.144 20 0 FBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]CC(=O)NC1CCOCC1 ZINC001106622556 837089466 /nfs/dbraw/zinc/08/94/66/837089466.db2.gz FDAUTZUANSPMJA-HUUCEWRRSA-N 2 0 354.495 -0.083 20 0 FBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]Cc1nnc2n1CCOC2 ZINC001106622838 837088808 /nfs/dbraw/zinc/08/88/08/837088808.db2.gz SSOHRFRGBRIBQZ-ZIAGYGMSSA-N 2 0 350.467 -0.056 20 0 FBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001106622869 837088769 /nfs/dbraw/zinc/08/87/69/837088769.db2.gz URSDNJNWVLLAHR-BZUAXINKSA-N 2 0 354.495 -0.083 20 0 FBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001106622870 837089309 /nfs/dbraw/zinc/08/93/09/837089309.db2.gz URSDNJNWVLLAHR-OAGGEKHMSA-N 2 0 354.495 -0.083 20 0 FBADRP CCCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001106622883 837089084 /nfs/dbraw/zinc/08/90/84/837089084.db2.gz VPMMLODLTBERLF-ZIAGYGMSSA-N 2 0 355.483 -0.142 20 0 FBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]C[C@H](O)CN1CCCC1=O ZINC001106626338 837089042 /nfs/dbraw/zinc/08/90/42/837089042.db2.gz CKAQGGLWNXQNMY-OAGGEKHMSA-N 2 0 354.495 -0.395 20 0 FBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001106626786 837089078 /nfs/dbraw/zinc/08/90/78/837089078.db2.gz LIBOLYVWDIYQEU-BZUAXINKSA-N 2 0 354.495 -0.131 20 0 FBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001106626787 837088853 /nfs/dbraw/zinc/08/88/53/837088853.db2.gz LIBOLYVWDIYQEU-OWCLPIDISA-N 2 0 354.495 -0.131 20 0 FBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]CCN1CCCS1(=O)=O ZINC001106627145 837088753 /nfs/dbraw/zinc/08/87/53/837088753.db2.gz VBZOFYOROQDWPA-HUUCEWRRSA-N 2 0 360.524 -0.342 20 0 FBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]CCCN1C(=O)CNC1=O ZINC001106627183 837089553 /nfs/dbraw/zinc/08/95/53/837089553.db2.gz WFCTVZNACJDQGA-ZIAGYGMSSA-N 2 0 353.467 -0.436 20 0 FBADRP CCS(=O)(=O)NCCC[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001106627234 837088998 /nfs/dbraw/zinc/08/89/98/837088998.db2.gz YMIJAUFVGDSINK-HUUCEWRRSA-N 2 0 362.540 -0.048 20 0 FBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]CCCS(=O)(=O)N(C)C ZINC001106627260 837089095 /nfs/dbraw/zinc/08/90/95/837089095.db2.gz ZIPJGBNOLWENFI-HUUCEWRRSA-N 2 0 362.540 -0.096 20 0 FBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001106628543 837088976 /nfs/dbraw/zinc/08/89/76/837088976.db2.gz PBBQHYMUIDIZEC-BZUAXINKSA-N 2 0 354.495 -0.225 20 0 FBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001106628544 837089371 /nfs/dbraw/zinc/08/93/71/837089371.db2.gz PBBQHYMUIDIZEC-OWCLPIDISA-N 2 0 354.495 -0.225 20 0 FBADRP CC(C)[C@H](C(=O)N1C[C@@H](C[NH2+]CCNS(C)(=O)=O)[C@H](C)C1)[NH+](C)C ZINC001106633789 837089005 /nfs/dbraw/zinc/08/90/05/837089005.db2.gz UZORIYDMSMJBCG-RBSFLKMASA-N 2 0 362.540 -0.194 20 0 FBADRP CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001106635033 837089953 /nfs/dbraw/zinc/08/99/53/837089953.db2.gz SNEDRBZCKPZNOZ-UMVBOHGHSA-N 2 0 355.483 -0.288 20 0 FBADRP CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1)[NH+](CC)CC ZINC001106660222 837091279 /nfs/dbraw/zinc/09/12/79/837091279.db2.gz GUTZAIZJNJABCE-MCIONIFRSA-N 2 0 355.483 -0.014 20 0 FBADRP CC[C@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1)[NH+](CC)CC ZINC001106660223 837091514 /nfs/dbraw/zinc/09/15/14/837091514.db2.gz GUTZAIZJNJABCE-MGPQQGTHSA-N 2 0 355.483 -0.014 20 0 FBADRP CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001106665341 837092703 /nfs/dbraw/zinc/09/27/03/837092703.db2.gz TVSDYYAFILNKAR-HZSPNIEDSA-N 2 0 353.467 -0.390 20 0 FBADRP CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C ZINC001106665342 837092201 /nfs/dbraw/zinc/09/22/01/837092201.db2.gz TVSDYYAFILNKAR-MGPQQGTHSA-N 2 0 353.467 -0.390 20 0 FBADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001106665487 837092126 /nfs/dbraw/zinc/09/21/26/837092126.db2.gz YVBIJFLVPJQNCA-QLFBSQMISA-N 2 0 360.524 -0.296 20 0 FBADRP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H](C[NH2+]CCNS(C)(=O)=O)[C@H](C)C1 ZINC001106665488 837092034 /nfs/dbraw/zinc/09/20/34/837092034.db2.gz YVBIJFLVPJQNCA-RBSFLKMASA-N 2 0 360.524 -0.296 20 0 FBADRP CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001106666480 837092626 /nfs/dbraw/zinc/09/26/26/837092626.db2.gz MBUUOEIHJHUWST-BFHYXJOUSA-N 2 0 353.467 -0.532 20 0 FBADRP CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001106666481 837092278 /nfs/dbraw/zinc/09/22/78/837092278.db2.gz MBUUOEIHJHUWST-MGPQQGTHSA-N 2 0 353.467 -0.532 20 0 FBADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C[NH2+]CCNS(C)(=O)=O)[C@H](C)C2)C1 ZINC001106666916 837091979 /nfs/dbraw/zinc/09/19/79/837091979.db2.gz ZSRMSBWTJAYUQT-RBSFLKMASA-N 2 0 360.524 -0.439 20 0 FBADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](C[NH2+]CCNS(C)(=O)=O)[C@H](C)C2)C1 ZINC001106666917 837092320 /nfs/dbraw/zinc/09/23/20/837092320.db2.gz ZSRMSBWTJAYUQT-RRFJBIMHSA-N 2 0 360.524 -0.439 20 0 FBADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106668854 837092567 /nfs/dbraw/zinc/09/25/67/837092567.db2.gz QRMRVXFLZLYSMY-CHWSQXEVSA-N 2 0 353.467 -0.403 20 0 FBADRP C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106672596 837093653 /nfs/dbraw/zinc/09/36/53/837093653.db2.gz FXZCAWOZXPXVRO-CHWSQXEVSA-N 2 0 355.483 -0.157 20 0 FBADRP CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CCN2C(=O)CNC2=O)[C@H](C)C1)[NH+](C)C ZINC001106673777 837093069 /nfs/dbraw/zinc/09/30/69/837093069.db2.gz KPSORMMJYSKSNX-MCIONIFRSA-N 2 0 353.467 -0.438 20 0 FBADRP CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C ZINC001106673812 837093468 /nfs/dbraw/zinc/09/34/68/837093468.db2.gz MRUJUVRUYTUWTH-MCIONIFRSA-N 2 0 355.483 -0.144 20 0 FBADRP CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CCN(C)S(C)(=O)=O)[C@H](C)C1)[NH+](C)C ZINC001106673826 837093805 /nfs/dbraw/zinc/09/38/05/837093805.db2.gz NCLCAAWABLTCDF-KFWWJZLASA-N 2 0 362.540 -0.098 20 0 FBADRP CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCOCC2)[C@H](C)C1)[NH+](C)C ZINC001106674398 837093618 /nfs/dbraw/zinc/09/36/18/837093618.db2.gz ULZJXMBYWMAJTI-OAGGEKHMSA-N 2 0 354.495 -0.131 20 0 FBADRP CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CCNS(=O)(=O)CC)[C@H](C)C1)[NH+](C)C ZINC001106674475 837093750 /nfs/dbraw/zinc/09/37/50/837093750.db2.gz WYSRZRWSMWIUHQ-KFWWJZLASA-N 2 0 362.540 -0.050 20 0 FBADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)COC[C@@H](C)[NH+]2CCCC2)C[C@H]1C ZINC001106680963 837093825 /nfs/dbraw/zinc/09/38/25/837093825.db2.gz OMQJAOJGZYMORI-BZUAXINKSA-N 2 0 354.495 -0.083 20 0 FBADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)COC[C@H](C)[NH+]2CCCC2)C[C@H]1C ZINC001106680964 837093904 /nfs/dbraw/zinc/09/39/04/837093904.db2.gz OMQJAOJGZYMORI-OWCLPIDISA-N 2 0 354.495 -0.083 20 0 FBADRP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106729452 837105119 /nfs/dbraw/zinc/10/51/19/837105119.db2.gz REIKAQKZPMIYTR-TZMCWYRMSA-N 2 0 353.467 -0.403 20 0 FBADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1C ZINC001106751227 837108934 /nfs/dbraw/zinc/10/89/34/837108934.db2.gz AHJQDXVASQNIDQ-ZIAGYGMSSA-N 2 0 350.467 -0.512 20 0 FBADRP C[C@H]([NH2+]C[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1C)C(N)=O ZINC001106751658 837110102 /nfs/dbraw/zinc/11/01/02/837110102.db2.gz LBOKQMPSAHNKDX-HZSPNIEDSA-N 2 0 350.467 -0.384 20 0 FBADRP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1C)C(N)=O ZINC001106751659 837109549 /nfs/dbraw/zinc/10/95/49/837109549.db2.gz LBOKQMPSAHNKDX-MGPQQGTHSA-N 2 0 350.467 -0.384 20 0 FBADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCCCN2CCOCC2)C[C@H]1C ZINC001106765885 837111684 /nfs/dbraw/zinc/11/16/84/837111684.db2.gz YAEBKWVBYLQKQP-HZPDHXFCSA-N 2 0 354.495 -0.081 20 0 FBADRP C[C@@H]1CN(C(=O)CCN2CCOCC2)C[C@H]1C[NH2+]CC(=O)NC1CC1 ZINC001106766211 837111655 /nfs/dbraw/zinc/11/16/55/837111655.db2.gz DHENWPMYHHCQMO-HUUCEWRRSA-N 2 0 352.479 -0.329 20 0 FBADRP CCN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CCN2CCOCC2)C[C@H]1C ZINC001106766221 837112109 /nfs/dbraw/zinc/11/21/09/837112109.db2.gz DQOVVZPXTYLRJV-HZPDHXFCSA-N 2 0 354.495 -0.129 20 0 FBADRP C[C@@H]1CN(C(=O)CCN2CCOCC2)C[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001106766229 837111947 /nfs/dbraw/zinc/11/19/47/837111947.db2.gz DVWFROFJHVCXPA-HZPDHXFCSA-N 2 0 352.479 -0.375 20 0 FBADRP CC(C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCN2CCOCC2)C[C@H]1C ZINC001106766241 837112128 /nfs/dbraw/zinc/11/21/28/837112128.db2.gz FVMADLKJYFWTCV-HZPDHXFCSA-N 2 0 354.495 -0.083 20 0 FBADRP CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCN2CCOCC2)C[C@H]1C ZINC001106766444 837112043 /nfs/dbraw/zinc/11/20/43/837112043.db2.gz JWLVIGREKMUVGK-HZPDHXFCSA-N 2 0 354.495 -0.081 20 0 FBADRP C[C@@H]1CN(C(=O)CCN2CCOCC2)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001106766865 837112289 /nfs/dbraw/zinc/11/22/89/837112289.db2.gz VEWAKPYPBUFCGU-HUUCEWRRSA-N 2 0 361.508 -0.563 20 0 FBADRP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CCN2CCOCC2)C[C@H]1C)C(=O)N(C)C ZINC001106767568 837112353 /nfs/dbraw/zinc/11/23/53/837112353.db2.gz INQMURDPCGRFJS-BZUAXINKSA-N 2 0 354.495 -0.131 20 0 FBADRP C[C@H]([NH2+]C[C@@H]1CN(C(=O)CCN2CCOCC2)C[C@H]1C)C(=O)N(C)C ZINC001106767569 837111720 /nfs/dbraw/zinc/11/17/20/837111720.db2.gz INQMURDPCGRFJS-OWCLPIDISA-N 2 0 354.495 -0.131 20 0 FBADRP C[C@@H]1CN(C(=O)CCN2CCOCC2)C[C@H]1C[NH2+]CCn1cncn1 ZINC001106767882 837111557 /nfs/dbraw/zinc/11/15/57/837111557.db2.gz YGWDXSURSRDRKL-HZPDHXFCSA-N 2 0 350.467 -0.316 20 0 FBADRP CC[NH+](CC)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCOCC2)[C@H](C)C1 ZINC001106779343 837113282 /nfs/dbraw/zinc/11/32/82/837113282.db2.gz KARQRYBTIVXUJV-HZPDHXFCSA-N 2 0 354.495 -0.129 20 0 FBADRP CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001106779344 837112998 /nfs/dbraw/zinc/11/29/98/837112998.db2.gz KDBOKCSYAVEQPL-ZIAGYGMSSA-N 2 0 355.483 -0.142 20 0 FBADRP CC[NH+](CC)CC(=O)N1C[C@@H](C[NH2+]CCN(C)S(C)(=O)=O)[C@H](C)C1 ZINC001106783514 837114337 /nfs/dbraw/zinc/11/43/37/837114337.db2.gz RZXTZFRQHPMRRI-HUUCEWRRSA-N 2 0 362.540 -0.096 20 0 FBADRP CC[NH+](CC)CC(=O)N1C[C@@H](C[NH2+]CCN2C(=O)CNC2=O)[C@H](C)C1 ZINC001106784298 837114490 /nfs/dbraw/zinc/11/44/90/837114490.db2.gz GDPKYOSEWPWABJ-ZIAGYGMSSA-N 2 0 353.467 -0.436 20 0 FBADRP CC[NH+](CC)CC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NC(=O)NC)[C@H](C)C1 ZINC001106784393 837114133 /nfs/dbraw/zinc/11/41/33/837114133.db2.gz IMHVGAAJHDCOQJ-HZSPNIEDSA-N 2 0 355.483 -0.144 20 0 FBADRP CC[NH+](CC)CC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NC(=O)NC)[C@H](C)C1 ZINC001106784396 837114264 /nfs/dbraw/zinc/11/42/64/837114264.db2.gz IMHVGAAJHDCOQJ-MGPQQGTHSA-N 2 0 355.483 -0.144 20 0 FBADRP CC[NH+](CC)CC(=O)N1C[C@@H](C[NH2+]CCNS(=O)(=O)CC)[C@H](C)C1 ZINC001106785179 837115251 /nfs/dbraw/zinc/11/52/51/837115251.db2.gz YTCASXPZTBDVBB-HUUCEWRRSA-N 2 0 362.540 -0.048 20 0 FBADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106797781 837116475 /nfs/dbraw/zinc/11/64/75/837116475.db2.gz VSQVIUBHRQAZEW-ZIAGYGMSSA-N 2 0 353.467 -0.403 20 0 FBADRP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001106807775 837117649 /nfs/dbraw/zinc/11/76/49/837117649.db2.gz BJSQBQUGPSMDAK-HUUCEWRRSA-N 2 0 354.495 -0.083 20 0 FBADRP CNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001106807958 837117685 /nfs/dbraw/zinc/11/76/85/837117685.db2.gz GPMDUCJBTWRIOK-QLFBSQMISA-N 2 0 354.495 -0.084 20 0 FBADRP CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001106807959 837117742 /nfs/dbraw/zinc/11/77/42/837117742.db2.gz GPMDUCJBTWRIOK-RBSFLKMASA-N 2 0 354.495 -0.084 20 0 FBADRP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C[NH2+]CCOCCO ZINC001106808003 837117622 /nfs/dbraw/zinc/11/76/22/837117622.db2.gz IABPQPRSKPPCDY-HZPDHXFCSA-N 2 0 357.495 -0.210 20 0 FBADRP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001106808329 837117306 /nfs/dbraw/zinc/11/73/06/837117306.db2.gz OVNKNRMEMUNQOL-HUUCEWRRSA-N 2 0 354.495 -0.131 20 0 FBADRP COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001106808916 837117383 /nfs/dbraw/zinc/11/73/83/837117383.db2.gz XQGQKDSCCXDKRP-BZUAXINKSA-N 2 0 357.495 -0.211 20 0 FBADRP COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001106808917 837117746 /nfs/dbraw/zinc/11/77/46/837117746.db2.gz XQGQKDSCCXDKRP-OAGGEKHMSA-N 2 0 357.495 -0.211 20 0 FBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NC(=O)NC)[C@H](C)C1 ZINC001106839661 837124072 /nfs/dbraw/zinc/12/40/72/837124072.db2.gz NBIKOJOWLSTSLX-HZSPNIEDSA-N 2 0 355.483 -0.144 20 0 FBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NC(=O)NC)[C@H](C)C1 ZINC001106839662 837124085 /nfs/dbraw/zinc/12/40/85/837124085.db2.gz NBIKOJOWLSTSLX-MGPQQGTHSA-N 2 0 355.483 -0.144 20 0 FBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CCN2C(=O)CNC2=O)[C@H](C)C1 ZINC001106839793 837125199 /nfs/dbraw/zinc/12/51/99/837125199.db2.gz OHZSWGXZNWQPKH-ZIAGYGMSSA-N 2 0 353.467 -0.436 20 0 FBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CCNS(=O)(=O)CC)[C@H](C)C1 ZINC001106840051 837125487 /nfs/dbraw/zinc/12/54/87/837125487.db2.gz WCUBKMZXVABHLG-HUUCEWRRSA-N 2 0 362.540 -0.048 20 0 FBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCOCC2)[C@H](C)C1 ZINC001106840200 837125580 /nfs/dbraw/zinc/12/55/80/837125580.db2.gz CWTLVYNCDLUTLP-HZPDHXFCSA-N 2 0 354.495 -0.129 20 0 FBADRP CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001106840373 837125225 /nfs/dbraw/zinc/12/52/25/837125225.db2.gz KIGRRKICDGLJEC-ZIAGYGMSSA-N 2 0 355.483 -0.142 20 0 FBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CCN(C)S(C)(=O)=O)[C@H](C)C1 ZINC001106840686 837124163 /nfs/dbraw/zinc/12/41/63/837124163.db2.gz ZWQKYJAWAFOQHY-HUUCEWRRSA-N 2 0 362.540 -0.096 20 0 FBADRP CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106874599 837131792 /nfs/dbraw/zinc/13/17/92/837131792.db2.gz LZGBKXFWYXUBLX-HZSPNIEDSA-N 2 0 353.467 -0.532 20 0 FBADRP CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106874600 837132466 /nfs/dbraw/zinc/13/24/66/837132466.db2.gz LZGBKXFWYXUBLX-MGPQQGTHSA-N 2 0 353.467 -0.532 20 0 FBADRP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001106874711 837132157 /nfs/dbraw/zinc/13/21/57/837132157.db2.gz QLRZEDHSEBDMOC-QLFBSQMISA-N 2 0 360.524 -0.439 20 0 FBADRP C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001106874712 837132273 /nfs/dbraw/zinc/13/22/73/837132273.db2.gz QLRZEDHSEBDMOC-RBSFLKMASA-N 2 0 360.524 -0.439 20 0 FBADRP CCS(=O)(=O)NCC[NH2+]C[C@@H]1CN(C(=O)Cc2cncn2C)C[C@H]1C ZINC001106877210 837131675 /nfs/dbraw/zinc/13/16/75/837131675.db2.gz RWERRRSLHAFIMP-ZIAGYGMSSA-N 2 0 371.507 -0.414 20 0 FBADRP C[C@@H]1CN(C(=O)Cc2cncn2C)C[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001106877260 837132450 /nfs/dbraw/zinc/13/24/50/837132450.db2.gz USUKUJLYRPYSCD-CHWSQXEVSA-N 2 0 357.480 -0.804 20 0 FBADRP CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2cncn2C)C[C@H]1C ZINC001106877269 837132342 /nfs/dbraw/zinc/13/23/42/837132342.db2.gz UVSWLNMHPNINSC-VXGBXAGGSA-N 2 0 350.423 -0.898 20 0 FBADRP C[C@@H]1CN(C(=O)Cc2cncn2C)C[C@H]1C[NH2+]CCN(C)S(C)(=O)=O ZINC001106877282 837131765 /nfs/dbraw/zinc/13/17/65/837131765.db2.gz VVZPPANERMNDBR-ZIAGYGMSSA-N 2 0 371.507 -0.462 20 0 FBADRP C[C@H]([NH2+]C[C@@H]1CN(C(=O)Cc2cncn2C)C[C@H]1C)C(=O)NC(N)=O ZINC001106877304 837132311 /nfs/dbraw/zinc/13/23/11/837132311.db2.gz WTBKDAPLADILSH-GRYCIOLGSA-N 2 0 350.423 -0.770 20 0 FBADRP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)Cc2cncn2C)C[C@H]1C)C(=O)NC(N)=O ZINC001106877305 837132177 /nfs/dbraw/zinc/13/21/77/837132177.db2.gz WTBKDAPLADILSH-IJLUTSLNSA-N 2 0 350.423 -0.770 20 0 FBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C[NH2+]CC(=O)N(C)C1CC1 ZINC001106877951 837132376 /nfs/dbraw/zinc/13/23/76/837132376.db2.gz DHXMJJSYMKAQKU-HUUCEWRRSA-N 2 0 354.495 -0.131 20 0 FBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C[NH2+][C@@H]1CCCN(C)C1=O ZINC001106878340 837132385 /nfs/dbraw/zinc/13/23/85/837132385.db2.gz MZWKVEQZEPSMBD-BZUAXINKSA-N 2 0 354.495 -0.131 20 0 FBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C[NH2+][C@H]1CCCN(C)C1=O ZINC001106878341 837132388 /nfs/dbraw/zinc/13/23/88/837132388.db2.gz MZWKVEQZEPSMBD-OAGGEKHMSA-N 2 0 354.495 -0.131 20 0 FBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C[NH2+]CC(=O)N1CCCC1 ZINC001106878575 837132282 /nfs/dbraw/zinc/13/22/82/837132282.db2.gz RWNUBAZZGOZIHP-HZPDHXFCSA-N 2 0 354.495 -0.129 20 0 FBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C[NH2+]CC(=O)NCC1CC1 ZINC001106878649 837131968 /nfs/dbraw/zinc/13/19/68/837131968.db2.gz VPOUTFHUZIOBPE-GDBMZVCRSA-N 2 0 354.495 -0.225 20 0 FBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C[NH2+][C@H]1CCC(=O)NC1=O ZINC001106880157 837132086 /nfs/dbraw/zinc/13/20/86/837132086.db2.gz CCOPAQPJHSWKIV-MCIONIFRSA-N 2 0 354.451 -0.946 20 0 FBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001106880158 837131728 /nfs/dbraw/zinc/13/17/28/837131728.db2.gz CCOPAQPJHSWKIV-MGPQQGTHSA-N 2 0 354.451 -0.946 20 0 FBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C[NH2+]CCN1CCCC1=O ZINC001106880175 837132454 /nfs/dbraw/zinc/13/24/54/837132454.db2.gz CORMVFWYIBJIEZ-HZPDHXFCSA-N 2 0 354.495 -0.129 20 0 FBADRP CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)C1=O ZINC001106880389 837132444 /nfs/dbraw/zinc/13/24/44/837132444.db2.gz IBJGCBKWGGNGLO-BZUAXINKSA-N 2 0 354.495 -0.131 20 0 FBADRP CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)C1=O ZINC001106880390 837132471 /nfs/dbraw/zinc/13/24/71/837132471.db2.gz IBJGCBKWGGNGLO-OAGGEKHMSA-N 2 0 354.495 -0.131 20 0 FBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C[NH2+]CCNC(=O)C1CC1 ZINC001106880665 837131747 /nfs/dbraw/zinc/13/17/47/837131747.db2.gz OCCDPDCVQXFOFN-GDBMZVCRSA-N 2 0 354.495 -0.225 20 0 FBADRP C[C@H]([NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C)c1nnnn1C ZINC001106880894 837132986 /nfs/dbraw/zinc/13/29/86/837132986.db2.gz QAPJUMPHXOXDOX-HZSPNIEDSA-N 2 0 353.471 -0.467 20 0 FBADRP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C)c1nnnn1C ZINC001106880895 837133352 /nfs/dbraw/zinc/13/33/52/837133352.db2.gz QAPJUMPHXOXDOX-MGPQQGTHSA-N 2 0 353.471 -0.467 20 0 FBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C[NH2+]CCCS(C)(=O)=O ZINC001106880900 837132941 /nfs/dbraw/zinc/13/29/41/837132941.db2.gz QCYVEHHBTYXTFW-HUUCEWRRSA-N 2 0 363.524 -0.317 20 0 FBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C[NH2+]CCN1CCNC1=O ZINC001106881050 837133170 /nfs/dbraw/zinc/13/31/70/837133170.db2.gz SVRPNDPXAFZGER-HUUCEWRRSA-N 2 0 355.483 -0.726 20 0 FBADRP CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001106881850 837133266 /nfs/dbraw/zinc/13/32/66/837133266.db2.gz MCYQYXKJRFFCOB-CHWSQXEVSA-N 2 0 351.451 -0.778 20 0 FBADRP C[C@H]([NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C)C(=O)NC1CC1 ZINC001106882613 837132237 /nfs/dbraw/zinc/13/22/37/837132237.db2.gz XTTUPJMCIYVCCL-QLFBSQMISA-N 2 0 354.495 -0.084 20 0 FBADRP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C)C(=O)NC1CC1 ZINC001106882614 837132263 /nfs/dbraw/zinc/13/22/63/837132263.db2.gz XTTUPJMCIYVCCL-RBSFLKMASA-N 2 0 354.495 -0.084 20 0 FBADRP C[C@H]([NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C)C(=O)NC(N)=O ZINC001106884250 837132370 /nfs/dbraw/zinc/13/23/70/837132370.db2.gz BHDVBLAVYVXFHO-FRRDWIJNSA-N 2 0 351.451 -0.650 20 0 FBADRP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C)C(=O)NC(N)=O ZINC001106884255 837131935 /nfs/dbraw/zinc/13/19/35/837131935.db2.gz BHDVBLAVYVXFHO-JHJVBQTASA-N 2 0 351.451 -0.650 20 0 FBADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001106884727 837132210 /nfs/dbraw/zinc/13/22/10/837132210.db2.gz LSLYHEKOCVOMDL-ZIAGYGMSSA-N 2 0 358.508 -0.685 20 0 FBADRP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001106897854 837151218 /nfs/dbraw/zinc/15/12/18/837151218.db2.gz NNAHCCXYJYGEDK-HUUCEWRRSA-N 2 0 362.540 -0.048 20 0 FBADRP C[C@H]([NH2+]C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C)C(=O)NC(N)=O ZINC001106898097 837151496 /nfs/dbraw/zinc/15/14/96/837151496.db2.gz SAXPLASUUOQFGP-HZSPNIEDSA-N 2 0 355.483 -0.014 20 0 FBADRP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C)C(=O)NC(N)=O ZINC001106898098 837151450 /nfs/dbraw/zinc/15/14/50/837151450.db2.gz SAXPLASUUOQFGP-MGPQQGTHSA-N 2 0 355.483 -0.014 20 0 FBADRP CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001106898943 837152659 /nfs/dbraw/zinc/15/26/59/837152659.db2.gz UJLKKPNSDFODLI-ZIAGYGMSSA-N 2 0 355.483 -0.142 20 0 FBADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CCNS(C)(=O)=O)[C@H](C)C1 ZINC001106905356 837162820 /nfs/dbraw/zinc/16/28/20/837162820.db2.gz LMWMXLGIMHMXEU-HUUCEWRRSA-N 2 0 362.540 -0.048 20 0 FBADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NC)[C@H](C)C1 ZINC001106905426 837162739 /nfs/dbraw/zinc/16/27/39/837162739.db2.gz OZJREGZPVKPLCY-ZIAGYGMSSA-N 2 0 355.483 -0.142 20 0 FBADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)[C@H](C)C1 ZINC001106907448 837165873 /nfs/dbraw/zinc/16/58/73/837165873.db2.gz LTZVSUXJNJUMBQ-HZSPNIEDSA-N 2 0 355.483 -0.014 20 0 FBADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NC(N)=O)[C@H](C)C1 ZINC001106907449 837166436 /nfs/dbraw/zinc/16/64/36/837166436.db2.gz LTZVSUXJNJUMBQ-MGPQQGTHSA-N 2 0 355.483 -0.014 20 0 FBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NC(=O)NC)[C@H](C)C1 ZINC001106907909 837168673 /nfs/dbraw/zinc/16/86/73/837168673.db2.gz ICAWLIDUYMIOLM-HZSPNIEDSA-N 2 0 355.483 -0.144 20 0 FBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NC(=O)NC)[C@H](C)C1 ZINC001106907910 837168533 /nfs/dbraw/zinc/16/85/33/837168533.db2.gz ICAWLIDUYMIOLM-MGPQQGTHSA-N 2 0 355.483 -0.144 20 0 FBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NCC)[C@H](C)C1 ZINC001106909391 837169795 /nfs/dbraw/zinc/16/97/95/837169795.db2.gz HXYHTZJTASMOMV-ZIAGYGMSSA-N 2 0 355.483 -0.142 20 0 FBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCOCC2)[C@H](C)C1 ZINC001106909873 837169323 /nfs/dbraw/zinc/16/93/23/837169323.db2.gz PTPDUKWBNICNMV-HZPDHXFCSA-N 2 0 354.495 -0.129 20 0 FBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]CCNS(=O)(=O)CC)[C@H](C)C1 ZINC001106910501 837169745 /nfs/dbraw/zinc/16/97/45/837169745.db2.gz ARWZMYYHUGGRAK-HUUCEWRRSA-N 2 0 362.540 -0.048 20 0 FBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]CCN(C)S(C)(=O)=O)[C@H](C)C1 ZINC001106910639 837169766 /nfs/dbraw/zinc/16/97/66/837169766.db2.gz HPVCISJPMFZVQU-HUUCEWRRSA-N 2 0 362.540 -0.096 20 0 FBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]CCN2C(=O)CNC2=O)[C@H](C)C1 ZINC001106910654 837170032 /nfs/dbraw/zinc/17/00/32/837170032.db2.gz IIHOWQSJCYVQDP-ZIAGYGMSSA-N 2 0 353.467 -0.436 20 0 FBADRP C[C@@H]1CN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106927490 837190931 /nfs/dbraw/zinc/19/09/31/837190931.db2.gz RKRXLCPOGODBOH-XNJGSVPQSA-N 2 0 351.451 -0.649 20 0 FBADRP CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106981069 837204123 /nfs/dbraw/zinc/20/41/23/837204123.db2.gz FPZSDISYJOPOAY-HZSPNIEDSA-N 2 0 353.467 -0.532 20 0 FBADRP CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106981071 837204751 /nfs/dbraw/zinc/20/47/51/837204751.db2.gz FPZSDISYJOPOAY-MGPQQGTHSA-N 2 0 353.467 -0.532 20 0 FBADRP COCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106981278 837204008 /nfs/dbraw/zinc/20/40/08/837204008.db2.gz HYZKMGOIJHWPDN-BZUAXINKSA-N 2 0 354.495 -0.225 20 0 FBADRP COCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106981279 837203981 /nfs/dbraw/zinc/20/39/81/837203981.db2.gz HYZKMGOIJHWPDN-OWCLPIDISA-N 2 0 354.495 -0.225 20 0 FBADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001106981304 837204103 /nfs/dbraw/zinc/20/41/03/837204103.db2.gz IPPPYWBPZBVLMC-HZSPNIEDSA-N 2 0 351.451 -0.826 20 0 FBADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001106981305 837204770 /nfs/dbraw/zinc/20/47/70/837204770.db2.gz IPPPYWBPZBVLMC-MGPQQGTHSA-N 2 0 351.451 -0.826 20 0 FBADRP CCS(=O)(=O)NCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106981439 837204411 /nfs/dbraw/zinc/20/44/11/837204411.db2.gz NZHQPZMBUXYVSZ-QLFBSQMISA-N 2 0 360.524 -0.439 20 0 FBADRP CCS(=O)(=O)NCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106981440 837204337 /nfs/dbraw/zinc/20/43/37/837204337.db2.gz NZHQPZMBUXYVSZ-RBSFLKMASA-N 2 0 360.524 -0.439 20 0 FBADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CCN1C(=O)CCC1=O ZINC001106981474 837204143 /nfs/dbraw/zinc/20/41/43/837204143.db2.gz PRMNUKSGJXTKCQ-QLFBSQMISA-N 2 0 350.463 -0.229 20 0 FBADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CCN1C(=O)CCC1=O ZINC001106981475 837203869 /nfs/dbraw/zinc/20/38/69/837203869.db2.gz PRMNUKSGJXTKCQ-RBSFLKMASA-N 2 0 350.463 -0.229 20 0 FBADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CCN(C)S(C)(=O)=O ZINC001106981566 837204463 /nfs/dbraw/zinc/20/44/63/837204463.db2.gz VAMGJAGPDVLLIO-QLFBSQMISA-N 2 0 360.524 -0.486 20 0 FBADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CCN(C)S(C)(=O)=O ZINC001106981567 837204686 /nfs/dbraw/zinc/20/46/86/837204686.db2.gz VAMGJAGPDVLLIO-RBSFLKMASA-N 2 0 360.524 -0.486 20 0 FBADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CC(=O)N1CCOCC1 ZINC001106981596 837204211 /nfs/dbraw/zinc/20/42/11/837204211.db2.gz WJIHJMGYZNCIEP-BZUAXINKSA-N 2 0 352.479 -0.519 20 0 FBADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CC(=O)N1CCOCC1 ZINC001106981597 837204582 /nfs/dbraw/zinc/20/45/82/837204582.db2.gz WJIHJMGYZNCIEP-OWCLPIDISA-N 2 0 352.479 -0.519 20 0 FBADRP CC(=O)NCCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106981691 837204503 /nfs/dbraw/zinc/20/45/03/837204503.db2.gz ZIDSNGNIKQNKPE-DJIMGWMZSA-N 2 0 354.495 -0.225 20 0 FBADRP CC(=O)NCCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106981692 837203930 /nfs/dbraw/zinc/20/39/30/837203930.db2.gz ZIDSNGNIKQNKPE-HYVNUMGLSA-N 2 0 354.495 -0.225 20 0 FBADRP CCOCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106982055 837204276 /nfs/dbraw/zinc/20/42/76/837204276.db2.gz CEJRVWCXVKVSBG-BZUAXINKSA-N 2 0 354.495 -0.225 20 0 FBADRP CCOCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106982057 837204065 /nfs/dbraw/zinc/20/40/65/837204065.db2.gz CEJRVWCXVKVSBG-OWCLPIDISA-N 2 0 354.495 -0.225 20 0 FBADRP CC(=O)NCCOCC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001106983638 837204253 /nfs/dbraw/zinc/20/42/53/837204253.db2.gz AZNOXODPUKNIAT-NVXWUHKLSA-N 2 0 354.495 -0.081 20 0 FBADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001106983688 837204232 /nfs/dbraw/zinc/20/42/32/837204232.db2.gz FACKRNXSFXYXBC-ZIAGYGMSSA-N 2 0 351.451 -0.682 20 0 FBADRP CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001106983695 837204483 /nfs/dbraw/zinc/20/44/83/837204483.db2.gz FICBPKAEUYDQDA-ZIAGYGMSSA-N 2 0 353.467 -0.388 20 0 FBADRP CCS(=O)(=O)NCC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001106983728 837204539 /nfs/dbraw/zinc/20/45/39/837204539.db2.gz HFHZSSVFWJHGRD-HUUCEWRRSA-N 2 0 360.524 -0.294 20 0 FBADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]CCN(C)S(C)(=O)=O ZINC001106983736 837204667 /nfs/dbraw/zinc/20/46/67/837204667.db2.gz HKATXUCXSBYOFQ-HUUCEWRRSA-N 2 0 360.524 -0.342 20 0 FBADRP COCCOC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001106983904 837204602 /nfs/dbraw/zinc/20/46/02/837204602.db2.gz OVKYVUZEAMUQIN-BRWVUGGUSA-N 2 0 357.495 -0.210 20 0 FBADRP COCCOC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001106983905 837204703 /nfs/dbraw/zinc/20/47/03/837204703.db2.gz OVKYVUZEAMUQIN-ZACQAIPSSA-N 2 0 357.495 -0.210 20 0 FBADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]CC(=O)N1CCOCC1 ZINC001106983956 837204651 /nfs/dbraw/zinc/20/46/51/837204651.db2.gz QSHPGHNHFPTFRM-HZPDHXFCSA-N 2 0 352.479 -0.375 20 0 FBADRP COCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001106984140 837205285 /nfs/dbraw/zinc/20/52/85/837205285.db2.gz ZTIXKGVZTZKJPI-HZPDHXFCSA-N 2 0 354.495 -0.081 20 0 FBADRP CCOCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001106984163 837205399 /nfs/dbraw/zinc/20/53/99/837205399.db2.gz BBGCSCDHCJHMNF-HZPDHXFCSA-N 2 0 354.495 -0.081 20 0 FBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001106984373 837205761 /nfs/dbraw/zinc/20/57/61/837205761.db2.gz KOFLNLZPWQWQSJ-HZSPNIEDSA-N 2 0 353.467 -0.390 20 0 FBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001106984374 837205640 /nfs/dbraw/zinc/20/56/40/837205640.db2.gz KOFLNLZPWQWQSJ-MGPQQGTHSA-N 2 0 353.467 -0.390 20 0 FBADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]CCN1C(=O)CCC1=O ZINC001106984447 837205195 /nfs/dbraw/zinc/20/51/95/837205195.db2.gz OAVHAQMLSKDLGJ-HUUCEWRRSA-N 2 0 350.463 -0.085 20 0 FBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C[NH2+]CCOCCO)[C@H](C)C1 ZINC001106985982 837205751 /nfs/dbraw/zinc/20/57/51/837205751.db2.gz BVLMKKWKBINZLS-BRWVUGGUSA-N 2 0 357.495 -0.352 20 0 FBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C[NH2+]CCOCCO)[C@H](C)C1 ZINC001106985983 837205467 /nfs/dbraw/zinc/20/54/67/837205467.db2.gz BVLMKKWKBINZLS-IXDOHACOSA-N 2 0 357.495 -0.352 20 0 FBADRP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001106986288 837205705 /nfs/dbraw/zinc/20/57/05/837205705.db2.gz JFFAKKWXMAHFAN-BZUAXINKSA-N 2 0 354.495 -0.225 20 0 FBADRP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001106986289 837205979 /nfs/dbraw/zinc/20/59/79/837205979.db2.gz JFFAKKWXMAHFAN-OWCLPIDISA-N 2 0 354.495 -0.225 20 0 FBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C)[C@H](C)C1 ZINC001106986423 837205522 /nfs/dbraw/zinc/20/55/22/837205522.db2.gz NZRAWVSEMMORIN-BZUAXINKSA-N 2 0 354.495 -0.273 20 0 FBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C)[C@H](C)C1 ZINC001106986424 837205271 /nfs/dbraw/zinc/20/52/71/837205271.db2.gz NZRAWVSEMMORIN-OWCLPIDISA-N 2 0 354.495 -0.273 20 0 FBADRP CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CN(CC)CCO2)C[C@H]1C ZINC001107008896 837215338 /nfs/dbraw/zinc/21/53/38/837215338.db2.gz BKUBAWMXXFBGEA-BZUAXINKSA-N 2 0 354.495 -0.083 20 0 FBADRP CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CN(CC)CCO2)C[C@H]1C ZINC001107008897 837214514 /nfs/dbraw/zinc/21/45/14/837214514.db2.gz BKUBAWMXXFBGEA-OAGGEKHMSA-N 2 0 354.495 -0.083 20 0 FBADRP CCN1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]CCS(C)(=O)=O)[C@H](C)C2)C1 ZINC001107009037 837215356 /nfs/dbraw/zinc/21/53/56/837215356.db2.gz ISVJWYJQURPSKC-KFWWJZLASA-N 2 0 361.508 -0.564 20 0 FBADRP CCN1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]CCS(C)(=O)=O)[C@H](C)C2)C1 ZINC001107009038 837215080 /nfs/dbraw/zinc/21/50/80/837215080.db2.gz ISVJWYJQURPSKC-RBSFLKMASA-N 2 0 361.508 -0.564 20 0 FBADRP CCN1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)N3CCC3)[C@H](C)C2)C1 ZINC001107009164 837215207 /nfs/dbraw/zinc/21/52/07/837215207.db2.gz MTLRVSJODZIJDF-BZUAXINKSA-N 2 0 352.479 -0.377 20 0 FBADRP CCN1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)N3CCC3)[C@H](C)C2)C1 ZINC001107009167 837214455 /nfs/dbraw/zinc/21/44/55/837214455.db2.gz MTLRVSJODZIJDF-OAGGEKHMSA-N 2 0 352.479 -0.377 20 0 FBADRP CCN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CN(CC)CCO2)C[C@H]1C ZINC001107009426 837215373 /nfs/dbraw/zinc/21/53/73/837215373.db2.gz RUWYAJVKQYJUGG-BZUAXINKSA-N 2 0 354.495 -0.131 20 0 FBADRP CCN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CN(CC)CCO2)C[C@H]1C ZINC001107009429 837215271 /nfs/dbraw/zinc/21/52/71/837215271.db2.gz RUWYAJVKQYJUGG-OAGGEKHMSA-N 2 0 354.495 -0.131 20 0 FBADRP CCN1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)NC3CC3)[C@H](C)C2)C1 ZINC001107009538 837215108 /nfs/dbraw/zinc/21/51/08/837215108.db2.gz URLXGUWEPNILDT-FMKPAKJESA-N 2 0 352.479 -0.330 20 0 FBADRP CCN1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)NC3CC3)[C@H](C)C2)C1 ZINC001107009539 837215145 /nfs/dbraw/zinc/21/51/45/837215145.db2.gz URLXGUWEPNILDT-IIAWOOMASA-N 2 0 352.479 -0.330 20 0 FBADRP CCN1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)NC(C)C)[C@H](C)C2)C1 ZINC001107009595 837215392 /nfs/dbraw/zinc/21/53/92/837215392.db2.gz VLQWCVZJHUWUGV-BZUAXINKSA-N 2 0 354.495 -0.084 20 0 FBADRP CCN1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)NC(C)C)[C@H](C)C2)C1 ZINC001107009600 837214759 /nfs/dbraw/zinc/21/47/59/837214759.db2.gz VLQWCVZJHUWUGV-OAGGEKHMSA-N 2 0 354.495 -0.084 20 0 FBADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)N2CCOCC2)C[C@H]1C ZINC001107011528 837214788 /nfs/dbraw/zinc/21/47/88/837214788.db2.gz FTCQDHJCPZFZPN-FRFSOERESA-N 2 0 352.479 -0.473 20 0 FBADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001107028290 837217160 /nfs/dbraw/zinc/21/71/60/837217160.db2.gz XRSPRBZGDAIQHQ-ZIAGYGMSSA-N 2 0 353.467 -0.259 20 0 FBADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001107033735 837217822 /nfs/dbraw/zinc/21/78/22/837217822.db2.gz YOBOWNMTMPOZMO-ZIAGYGMSSA-N 2 0 353.467 -0.259 20 0 FBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001107036668 837219201 /nfs/dbraw/zinc/21/92/01/837219201.db2.gz OWKZYXSLAVWPAJ-MCIONIFRSA-N 2 0 353.467 -0.260 20 0 FBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001107036669 837219163 /nfs/dbraw/zinc/21/91/63/837219163.db2.gz OWKZYXSLAVWPAJ-MGPQQGTHSA-N 2 0 353.467 -0.260 20 0 FBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCOCC2)[C@H](C)C1 ZINC001107039428 837220504 /nfs/dbraw/zinc/22/05/04/837220504.db2.gz RIGAFJJTLFPOAI-HZPDHXFCSA-N 2 0 354.495 -0.131 20 0 FBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC(=O)NC(N)=O)CC2 ZINC001107329259 837233928 /nfs/dbraw/zinc/23/39/28/837233928.db2.gz NTFYNTLMWGJCJK-OGHNNQOOSA-N 2 0 351.451 -0.364 20 0 FBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC(=O)NC(N)=O)CC2 ZINC001107329260 837234140 /nfs/dbraw/zinc/23/41/40/837234140.db2.gz NTFYNTLMWGJCJK-PBFPGSCMSA-N 2 0 351.451 -0.364 20 0 FBADRP CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC(N)=O)CC2)[NH+](C)C ZINC001107451164 837242760 /nfs/dbraw/zinc/24/27/60/837242760.db2.gz QBUXEEWEEUPTAY-PBFPGSCMSA-N 2 0 353.467 -0.118 20 0 FBADRP C[NH+](C)CCCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC(N)=O)CC2 ZINC001107522856 837250684 /nfs/dbraw/zinc/25/06/84/837250684.db2.gz XXCPUSMIQIEDMQ-CXAGYDPISA-N 2 0 353.467 -0.116 20 0 FBADRP CNC(=O)NC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001107530634 837252442 /nfs/dbraw/zinc/25/24/42/837252442.db2.gz DKGFIXLVQGHWPD-CXAGYDPISA-N 2 0 353.467 -0.246 20 0 FBADRP Cn1[nH]c(C[N@@H+]2CC[C@@]3(CNC(=O)CC[NH+](C)C)CCC[C@@H]23)nc1=O ZINC001107530856 837253038 /nfs/dbraw/zinc/25/30/38/837253038.db2.gz PEYCZIAJRABJJR-CXAGYDPISA-N 2 0 350.467 -0.079 20 0 FBADRP C[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@H+](CCNS(C)(=O)=O)CC2 ZINC001107533733 837253636 /nfs/dbraw/zinc/25/36/36/837253636.db2.gz CLOBZDOSROAXML-GDBMZVCRSA-N 2 0 360.524 -0.152 20 0 FBADRP CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC(N)=O)CC2)[NH+](C)C ZINC001107553775 837254190 /nfs/dbraw/zinc/25/41/90/837254190.db2.gz QBUXEEWEEUPTAY-OGHNNQOOSA-N 2 0 353.467 -0.118 20 0 FBADRP CC[NH+](CC)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC(N)=O)CC2 ZINC001107582672 837257917 /nfs/dbraw/zinc/25/79/17/837257917.db2.gz PCHPGRJKROQKNN-CXAGYDPISA-N 2 0 353.467 -0.116 20 0 FBADRP C[NH+]1CCC(OCC(=O)NC[C@]23CCC[C@H]2[N@H+](CC(N)=O)CC3)CC1 ZINC001107593708 837261468 /nfs/dbraw/zinc/26/14/68/837261468.db2.gz SSVMANPBLHIYJP-CRAIPNDOSA-N 2 0 352.479 -0.057 20 0 FBADRP CC[N@H+](C)CCC(=O)NC[C@]12CCC[C@H]1[NH+](CC(=O)NC(N)=O)CC2 ZINC001107598536 837263209 /nfs/dbraw/zinc/26/32/09/837263209.db2.gz HXPVTDZDTIYMBO-CXAGYDPISA-N 2 0 353.467 -0.116 20 0 FBADRP COC[C@H](O)C[N@@H+]1CC[C@@]2(CNC(=O)COCC[NH+](C)C)CCC[C@@H]12 ZINC001107609108 837264587 /nfs/dbraw/zinc/26/45/87/837264587.db2.gz CVIVNJLLAHEBMD-JFIYKMOQSA-N 2 0 357.495 -0.067 20 0 FBADRP COC[C@@H](O)C[N@@H+]1CC[C@@]2(CNC(=O)COCC[NH+](C)C)CCC[C@@H]12 ZINC001107609109 837263823 /nfs/dbraw/zinc/26/38/23/837263823.db2.gz CVIVNJLLAHEBMD-LZLYRXPVSA-N 2 0 357.495 -0.067 20 0 FBADRP C[NH+](C)CCOCC(=O)NC[C@]12CCC[C@H]1[N@H+](CCOCCO)CC2 ZINC001107609432 837264573 /nfs/dbraw/zinc/26/45/73/837264573.db2.gz RTKHRYOMEQDRPO-SJLPKXTDSA-N 2 0 357.495 -0.066 20 0 FBADRP CCC[N@H+](C)CC(=O)NC[C@]12CCC[C@H]1[NH+](CC(=O)NC(N)=O)CC2 ZINC001107614910 837266195 /nfs/dbraw/zinc/26/61/95/837266195.db2.gz NGAZAMJBQLKLRC-CXAGYDPISA-N 2 0 353.467 -0.116 20 0 FBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CC(=O)NC(N)=O)CC3)C1 ZINC001107631906 837265534 /nfs/dbraw/zinc/26/55/34/837265534.db2.gz GYRCWZDVJHHXQP-OGHNNQOOSA-N 2 0 351.451 -0.506 20 0 FBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CC(=O)NC(N)=O)CC3)C1 ZINC001107631907 837265420 /nfs/dbraw/zinc/26/54/20/837265420.db2.gz GYRCWZDVJHHXQP-PBFPGSCMSA-N 2 0 351.451 -0.506 20 0 FBADRP NC(=O)NC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCCC3)CCC[C@@H]12 ZINC001107633487 837267567 /nfs/dbraw/zinc/26/75/67/837267567.db2.gz UVDNLIAXYKQSTJ-CXAGYDPISA-N 2 0 351.451 -0.362 20 0 FBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(N)=O)CC2 ZINC001107633753 837267655 /nfs/dbraw/zinc/26/76/55/837267655.db2.gz BLUJCHXAGJEABW-HDMKZQKVSA-N 2 0 352.479 -0.199 20 0 FBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(N)=O)CC2 ZINC001107633757 837267246 /nfs/dbraw/zinc/26/72/46/837267246.db2.gz BLUJCHXAGJEABW-IIDMSEBBSA-N 2 0 352.479 -0.199 20 0 FBADRP CC(C)[N@H+](C)CC(=O)NC[C@]12CCC[C@H]1[NH+](CC(=O)NC(N)=O)CC2 ZINC001107646542 837268707 /nfs/dbraw/zinc/26/87/07/837268707.db2.gz JQPSBYVLUQPURN-CXAGYDPISA-N 2 0 353.467 -0.118 20 0 FBADRP CC(=O)NCCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C2 ZINC001109067561 839340388 /nfs/dbraw/zinc/34/03/88/839340388.db2.gz FMSMBJXBNDXUHI-LTIDMASMSA-N 2 0 352.479 -0.045 20 0 FBADRP CC(=O)NCCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001109067562 839340251 /nfs/dbraw/zinc/34/02/51/839340251.db2.gz FMSMBJXBNDXUHI-QZWWFDLISA-N 2 0 352.479 -0.045 20 0 FBADRP CCN(C)C(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CN(C)C[C@@H](C)O1)C2 ZINC001109442919 839397352 /nfs/dbraw/zinc/39/73/52/839397352.db2.gz MXTORFOZTZPETC-RBGFHDKUSA-N 2 0 352.479 -0.095 20 0 FBADRP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CNC1=O ZINC001109653981 839418144 /nfs/dbraw/zinc/41/81/44/839418144.db2.gz PVNDDMMRZDQMIG-RDBSUJKOSA-N 2 0 351.451 -0.399 20 0 FBADRP CCS(=O)(=O)NCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109673309 839424150 /nfs/dbraw/zinc/42/41/50/839424150.db2.gz IALMEQGQLMBSBA-ILXRZTDVSA-N 2 0 360.524 -0.011 20 0 FBADRP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001109673794 839423582 /nfs/dbraw/zinc/42/35/82/839423582.db2.gz QWOGYFUWEVUQCJ-FZKCQIBNSA-N 2 0 372.535 -0.059 20 0 FBADRP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001109673796 839423943 /nfs/dbraw/zinc/42/39/43/839423943.db2.gz QWOGYFUWEVUQCJ-WCVJEAGWSA-N 2 0 372.535 -0.059 20 0 FBADRP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)CN1CCCC1=O ZINC001109674064 839423901 /nfs/dbraw/zinc/42/39/01/839423901.db2.gz ZDLBTFUYMRYHHV-WCVJEAGWSA-N 2 0 352.479 -0.357 20 0 FBADRP CN(C)S(=O)(=O)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109674328 839422909 /nfs/dbraw/zinc/42/29/09/839422909.db2.gz BXACPXIUUABFGI-ILXRZTDVSA-N 2 0 360.524 -0.059 20 0 FBADRP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCN1C(=O)CNC1=O ZINC001109674363 839423952 /nfs/dbraw/zinc/42/39/52/839423952.db2.gz DOGZFMHSLWSFEN-RDBSUJKOSA-N 2 0 351.451 -0.399 20 0 FBADRP C[NH+]1CCC(OCC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCCO)CC1 ZINC001109902446 839445567 /nfs/dbraw/zinc/44/55/67/839445567.db2.gz JJTPVDAKDSYBSU-PVAVHDDUSA-N 2 0 355.479 -0.172 20 0 FBADRP COC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109902606 839445469 /nfs/dbraw/zinc/44/54/69/839445469.db2.gz SCDYKXCRFWJMFN-JHNDHUHGSA-N 2 0 355.479 -0.174 20 0 FBADRP COC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109902607 839446553 /nfs/dbraw/zinc/44/65/53/839446553.db2.gz SCDYKXCRFWJMFN-OHFALNGGSA-N 2 0 355.479 -0.174 20 0 FBADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1C(=O)CNC1=O ZINC001109932889 839448826 /nfs/dbraw/zinc/44/88/26/839448826.db2.gz XNPKWZKEBOMHOK-RDBSUJKOSA-N 2 0 351.451 -0.399 20 0 FBADRP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O ZINC001109978528 839453231 /nfs/dbraw/zinc/45/32/31/839453231.db2.gz BETCKUSKJVXPIY-ILXRZTDVSA-N 2 0 353.467 -0.689 20 0 FBADRP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCCC1=O ZINC001109980589 839454902 /nfs/dbraw/zinc/45/49/02/839454902.db2.gz RJTHBDAFDIFOJS-PMPSAXMXSA-N 2 0 352.479 -0.092 20 0 FBADRP CCS(=O)(=O)NCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001110101153 839495864 /nfs/dbraw/zinc/49/58/64/839495864.db2.gz BAUDGCJKOGSRFC-FZKCQIBNSA-N 2 0 372.535 -0.011 20 0 FBADRP CCS(=O)(=O)NCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001110101154 839495683 /nfs/dbraw/zinc/49/56/83/839495683.db2.gz BAUDGCJKOGSRFC-WCVJEAGWSA-N 2 0 372.535 -0.011 20 0 FBADRP COCCCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001110101308 839495980 /nfs/dbraw/zinc/49/59/80/839495980.db2.gz JMYZOSLGDVCRKX-FZKCQIBNSA-N 2 0 352.479 -0.188 20 0 FBADRP COCCCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001110101309 839496078 /nfs/dbraw/zinc/49/60/78/839496078.db2.gz JMYZOSLGDVCRKX-WCVJEAGWSA-N 2 0 352.479 -0.188 20 0 FBADRP CCOCCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001110101489 839495789 /nfs/dbraw/zinc/49/57/89/839495789.db2.gz QZOQNMPDVLVNEK-FZKCQIBNSA-N 2 0 352.479 -0.188 20 0 FBADRP CCOCCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001110101490 839496348 /nfs/dbraw/zinc/49/63/48/839496348.db2.gz QZOQNMPDVLVNEK-WCVJEAGWSA-N 2 0 352.479 -0.188 20 0 FBADRP CC(=O)NCCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001110101552 839497232 /nfs/dbraw/zinc/49/72/32/839497232.db2.gz UNWPAVLSANCDQA-NCOADZHNSA-N 2 0 352.479 -0.188 20 0 FBADRP CC(=O)NCCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001110101553 839497308 /nfs/dbraw/zinc/49/73/08/839497308.db2.gz UNWPAVLSANCDQA-YVSFHVDLSA-N 2 0 352.479 -0.188 20 0 FBADRP CN(C)S(=O)(=O)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001110102064 839497274 /nfs/dbraw/zinc/49/72/74/839497274.db2.gz RFNKNXJBAQFOFP-FZKCQIBNSA-N 2 0 372.535 -0.059 20 0 FBADRP CN(C)S(=O)(=O)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001110102065 839496736 /nfs/dbraw/zinc/49/67/36/839496736.db2.gz RFNKNXJBAQFOFP-WCVJEAGWSA-N 2 0 372.535 -0.059 20 0 FBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO ZINC001110107379 839785593 /nfs/dbraw/zinc/78/55/93/839785593.db2.gz GTLZEHHFONZCKJ-NCOADZHNSA-N 2 0 355.479 -0.315 20 0 FBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO ZINC001110107380 839785238 /nfs/dbraw/zinc/78/52/38/839785238.db2.gz GTLZEHHFONZCKJ-YVSFHVDLSA-N 2 0 355.479 -0.315 20 0 FBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)N(C)C ZINC001110107900 839789107 /nfs/dbraw/zinc/78/91/07/839789107.db2.gz ZEVVDTOVAOUAFU-FZKCQIBNSA-N 2 0 352.479 -0.236 20 0 FBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)N(C)C ZINC001110107901 839789008 /nfs/dbraw/zinc/78/90/08/839789008.db2.gz ZEVVDTOVAOUAFU-WCVJEAGWSA-N 2 0 352.479 -0.236 20 0 FBADRP CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)C[NH+]1CCOCC1)C2 ZINC001110107921 839789230 /nfs/dbraw/zinc/78/92/30/839789230.db2.gz ZXJZHDMUPABZHK-FZKCQIBNSA-N 2 0 352.479 -0.188 20 0 FBADRP CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)C[NH+]1CCOCC1)C2 ZINC001110107922 839788946 /nfs/dbraw/zinc/78/89/46/839788946.db2.gz ZXJZHDMUPABZHK-WCVJEAGWSA-N 2 0 352.479 -0.188 20 0 FBADRP CC(=O)NCCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001110386090 840544252 /nfs/dbraw/zinc/54/42/52/840544252.db2.gz FMSMBJXBNDXUHI-NCOADZHNSA-N 2 0 352.479 -0.045 20 0 FBADRP CC(=O)NCCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C2 ZINC001110386091 840544195 /nfs/dbraw/zinc/54/41/95/840544195.db2.gz FMSMBJXBNDXUHI-WCXIOVBPSA-N 2 0 352.479 -0.045 20 0 FBADRP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCNS(C)(=O)=O)CC[N@@H+]1C ZINC001110576463 841724916 /nfs/dbraw/zinc/72/49/16/841724916.db2.gz KCVAPLAAGZMGFI-RYPNDVFKSA-N 2 0 358.508 -0.403 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCNS(C)(=O)=O)CC[N@@H+]1C ZINC001110576503 841725957 /nfs/dbraw/zinc/72/59/57/841725957.db2.gz MDEPTIXPWLOREL-JKJDWNRSSA-N 2 0 372.535 -0.013 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NC(N)=O)CC[N@@H+]1C ZINC001110576656 841726081 /nfs/dbraw/zinc/72/60/81/841726081.db2.gz UUTXKMMKKNXDDY-ITGHMWBKSA-N 2 0 351.451 -0.367 20 0 FBADRP CCS(=O)(=O)NCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001110576679 841726275 /nfs/dbraw/zinc/72/62/75/841726275.db2.gz VTVMBUBXINDKED-QCODTGAPSA-N 2 0 372.535 -0.013 20 0 FBADRP CCN(C)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CN(C)C[C@@H](C)O1)C2 ZINC001110708147 841753962 /nfs/dbraw/zinc/75/39/62/841753962.db2.gz MXTORFOZTZPETC-DGXTUMSLSA-N 2 0 352.479 -0.095 20 0 FBADRP Cc1cncn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCN(C)S(C)(=O)=O ZINC001110817167 841765328 /nfs/dbraw/zinc/76/53/28/841765328.db2.gz QEANRMCUIHDING-KFWWJZLASA-N 2 0 369.491 -0.196 20 0 FBADRP CCS(=O)(=O)NCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cncc1C)C2 ZINC001110817221 841765252 /nfs/dbraw/zinc/76/52/52/841765252.db2.gz SOZPTPVORKBPND-KFWWJZLASA-N 2 0 369.491 -0.148 20 0 FBADRP Cc1cncn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCNS(C)(=O)=O ZINC001110817296 841765361 /nfs/dbraw/zinc/76/53/61/841765361.db2.gz WXOKURBJKDMPBZ-MCIONIFRSA-N 2 0 355.464 -0.538 20 0 FBADRP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CNC1=O ZINC001110961053 842022833 /nfs/dbraw/zinc/02/28/33/842022833.db2.gz PVNDDMMRZDQMIG-MCIONIFRSA-N 2 0 351.451 -0.399 20 0 FBADRP CCS(=O)(=O)NCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110981073 842028762 /nfs/dbraw/zinc/02/87/62/842028762.db2.gz IALMEQGQLMBSBA-KFWWJZLASA-N 2 0 360.524 -0.011 20 0 FBADRP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001110981459 842027549 /nfs/dbraw/zinc/02/75/49/842027549.db2.gz QWOGYFUWEVUQCJ-FPCVCCKLSA-N 2 0 372.535 -0.059 20 0 FBADRP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001110981460 842027923 /nfs/dbraw/zinc/02/79/23/842027923.db2.gz QWOGYFUWEVUQCJ-JJXSEGSLSA-N 2 0 372.535 -0.059 20 0 FBADRP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)CN1CCCC1=O ZINC001110981808 842028062 /nfs/dbraw/zinc/02/80/62/842028062.db2.gz ZDLBTFUYMRYHHV-FPCVCCKLSA-N 2 0 352.479 -0.357 20 0 FBADRP CN(C)S(=O)(=O)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110981998 842029182 /nfs/dbraw/zinc/02/91/82/842029182.db2.gz BXACPXIUUABFGI-KFWWJZLASA-N 2 0 360.524 -0.059 20 0 FBADRP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCN1C(=O)CNC1=O ZINC001110982034 842027700 /nfs/dbraw/zinc/02/77/00/842027700.db2.gz DOGZFMHSLWSFEN-MCIONIFRSA-N 2 0 351.451 -0.399 20 0 FBADRP CNC(=O)NC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001110993092 842030048 /nfs/dbraw/zinc/03/00/48/842030048.db2.gz MBKNHKDSBLJINI-GUIRCDHDSA-N 2 0 353.467 -0.250 20 0 FBADRP CC(C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCNS(C)(=O)=O)[NH+](C)C ZINC001110994838 842030540 /nfs/dbraw/zinc/03/05/40/842030540.db2.gz JEOQJURXTXUJJO-APIJFGDWSA-N 2 0 360.524 -0.157 20 0 FBADRP C[NH+]1CCC(OCC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCCO)CC1 ZINC001111197134 842056322 /nfs/dbraw/zinc/05/63/22/842056322.db2.gz JJTPVDAKDSYBSU-OIISXLGYSA-N 2 0 355.479 -0.172 20 0 FBADRP COC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001111198291 842055150 /nfs/dbraw/zinc/05/51/50/842055150.db2.gz SCDYKXCRFWJMFN-SRABZTEZSA-N 2 0 355.479 -0.174 20 0 FBADRP COC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001111198292 842055894 /nfs/dbraw/zinc/05/58/94/842055894.db2.gz SCDYKXCRFWJMFN-WTTBNOFXSA-N 2 0 355.479 -0.174 20 0 FBADRP CCNC(=O)NC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@H+](C)CC)C2 ZINC001111230171 842060425 /nfs/dbraw/zinc/06/04/25/842060425.db2.gz IWQCRCYOFQKJGJ-MCIONIFRSA-N 2 0 353.467 -0.105 20 0 FBADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)N1CCOCC1 ZINC001111230340 842060350 /nfs/dbraw/zinc/06/03/50/842060350.db2.gz LYZZHOWRPRRVDM-OAGGEKHMSA-N 2 0 352.479 -0.092 20 0 FBADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2[C@@H](C)C(=O)NC(=O)NC ZINC001111230349 842060757 /nfs/dbraw/zinc/06/07/57/842060757.db2.gz MHDNAHSMRONFIK-DGAVXFQQSA-N 2 0 353.467 -0.106 20 0 FBADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2[C@H](C)C(=O)NC(=O)NC ZINC001111230350 842059850 /nfs/dbraw/zinc/05/98/50/842059850.db2.gz MHDNAHSMRONFIK-SYQHCUMBSA-N 2 0 353.467 -0.106 20 0 FBADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1C(=O)CNC1=O ZINC001111235066 842060489 /nfs/dbraw/zinc/06/04/89/842060489.db2.gz XNPKWZKEBOMHOK-MCIONIFRSA-N 2 0 351.451 -0.399 20 0 FBADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O ZINC001111279409 842066754 /nfs/dbraw/zinc/06/67/54/842066754.db2.gz BETCKUSKJVXPIY-KFWWJZLASA-N 2 0 353.467 -0.689 20 0 FBADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCCC1=O ZINC001111280264 842065500 /nfs/dbraw/zinc/06/55/00/842065500.db2.gz RJTHBDAFDIFOJS-OAGGEKHMSA-N 2 0 352.479 -0.092 20 0 FBADRP CCS(=O)(=O)NCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001111406811 842081600 /nfs/dbraw/zinc/08/16/00/842081600.db2.gz BAUDGCJKOGSRFC-FPCVCCKLSA-N 2 0 372.535 -0.011 20 0 FBADRP CCS(=O)(=O)NCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001111406812 842080955 /nfs/dbraw/zinc/08/09/55/842080955.db2.gz BAUDGCJKOGSRFC-JJXSEGSLSA-N 2 0 372.535 -0.011 20 0 FBADRP CN(C)S(=O)(=O)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001111407355 842082954 /nfs/dbraw/zinc/08/29/54/842082954.db2.gz RFNKNXJBAQFOFP-FPCVCCKLSA-N 2 0 372.535 -0.059 20 0 FBADRP CN(C)S(=O)(=O)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001111407357 842083959 /nfs/dbraw/zinc/08/39/59/842083959.db2.gz RFNKNXJBAQFOFP-JJXSEGSLSA-N 2 0 372.535 -0.059 20 0 FBADRP CC(=O)NCCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001111407643 842082761 /nfs/dbraw/zinc/08/27/61/842082761.db2.gz UNWPAVLSANCDQA-HZMVEIRTSA-N 2 0 352.479 -0.188 20 0 FBADRP CC(=O)NCCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001111407644 842082870 /nfs/dbraw/zinc/08/28/70/842082870.db2.gz UNWPAVLSANCDQA-VQHPVUNQSA-N 2 0 352.479 -0.188 20 0 FBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO ZINC001111411052 842085064 /nfs/dbraw/zinc/08/50/64/842085064.db2.gz GTLZEHHFONZCKJ-HZMVEIRTSA-N 2 0 355.479 -0.315 20 0 FBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO ZINC001111411053 842084370 /nfs/dbraw/zinc/08/43/70/842084370.db2.gz GTLZEHHFONZCKJ-VQHPVUNQSA-N 2 0 355.479 -0.315 20 0 FBADRP CN(C)S(=O)(=O)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ccnc1)C2 ZINC001111501727 839673655 /nfs/dbraw/zinc/67/36/55/839673655.db2.gz XMLRHSXRFFHXPD-KFWWJZLASA-N 2 0 369.491 -0.114 20 0 FBADRP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCNS(C)(=O)=O)C3)CC[N@@H+]1C ZINC001111752588 842790801 /nfs/dbraw/zinc/79/08/01/842790801.db2.gz XQXTZNVWYHUUQO-DLTWYDFYSA-N 2 0 372.535 -0.154 20 0 FBADRP C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+](C)C)C1 ZINC001111854083 842804999 /nfs/dbraw/zinc/80/49/99/842804999.db2.gz JMSNMJLFILCAKU-DCGLDWPTSA-N 2 0 353.467 -0.118 20 0 FBADRP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+](C)C)C1 ZINC001111854084 842804340 /nfs/dbraw/zinc/80/43/40/842804340.db2.gz JMSNMJLFILCAKU-IGCXYCKISA-N 2 0 353.467 -0.118 20 0 FBADRP C[NH+](C)CCCC(=O)N[C@]12CCC[C@H]1C[N@H+](CCNS(C)(=O)=O)C2 ZINC001111857832 842806023 /nfs/dbraw/zinc/80/60/23/842806023.db2.gz AMDFDAGJZLVMHE-HOCLYGCPSA-N 2 0 360.524 -0.152 20 0 FBADRP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)N1CCOCC1)C2 ZINC001111861282 842806546 /nfs/dbraw/zinc/80/65/46/842806546.db2.gz FNLKVEBDSIGRLV-YJBOKZPZSA-N 2 0 352.479 -0.232 20 0 FBADRP CN(CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1)S(C)(=O)=O ZINC001111861556 842806295 /nfs/dbraw/zinc/80/62/95/842806295.db2.gz SWXIQEJIZDXLBF-HOCLYGCPSA-N 2 0 360.524 -0.200 20 0 FBADRP COCCOC[C@@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1 ZINC001111862713 842808325 /nfs/dbraw/zinc/80/83/25/842808325.db2.gz ZWMZSRXLLVNNEF-BQFCYCMXSA-N 2 0 357.495 -0.067 20 0 FBADRP COCCOC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1 ZINC001111862714 842808638 /nfs/dbraw/zinc/80/86/38/842808638.db2.gz ZWMZSRXLLVNNEF-JZXOWHBKSA-N 2 0 357.495 -0.067 20 0 FBADRP CCS(=O)(=O)NCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1 ZINC001111864543 842807758 /nfs/dbraw/zinc/80/77/58/842807758.db2.gz VZNYBOQNVWDQDM-HOCLYGCPSA-N 2 0 360.524 -0.152 20 0 FBADRP CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1 ZINC001111864567 842808552 /nfs/dbraw/zinc/80/85/52/842808552.db2.gz WVHQPCXPSAYRGA-DCGLDWPTSA-N 2 0 353.467 -0.247 20 0 FBADRP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1 ZINC001111864568 842808838 /nfs/dbraw/zinc/80/88/38/842808838.db2.gz WVHQPCXPSAYRGA-IGCXYCKISA-N 2 0 353.467 -0.247 20 0 FBADRP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CCN1C(=O)CNC1=O)C2 ZINC001111864596 842807666 /nfs/dbraw/zinc/80/76/66/842807666.db2.gz XUMGRZXWIDGOHG-GUYCJALGSA-N 2 0 351.451 -0.539 20 0 FBADRP NC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)CCCCN2CCOCC2)C1 ZINC001111902638 842811391 /nfs/dbraw/zinc/81/13/91/842811391.db2.gz LMLCSPSOTJJFMM-YJBOKZPZSA-N 2 0 352.479 -0.055 20 0 FBADRP CC[NH+](CC)CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C2 ZINC001111907711 842813326 /nfs/dbraw/zinc/81/33/26/842813326.db2.gz IMOSLEUDQFLBAI-DCGLDWPTSA-N 2 0 353.467 -0.118 20 0 FBADRP CC[NH+](CC)CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H](C)C(=O)NC(N)=O)C2 ZINC001111907712 842813892 /nfs/dbraw/zinc/81/38/92/842813892.db2.gz IMOSLEUDQFLBAI-IGCXYCKISA-N 2 0 353.467 -0.118 20 0 FBADRP C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001111916853 842815141 /nfs/dbraw/zinc/81/51/41/842815141.db2.gz HDZADMPNDWTAMT-DEYYWGMASA-N 2 0 352.479 -0.058 20 0 FBADRP C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001111916855 842815039 /nfs/dbraw/zinc/81/50/39/842815039.db2.gz HDZADMPNDWTAMT-GLJUWKHASA-N 2 0 352.479 -0.058 20 0 FBADRP CC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](CCNS(C)(=O)=O)C2 ZINC001111925871 842814810 /nfs/dbraw/zinc/81/48/10/842814810.db2.gz NPCDNNDNPDGQND-HOCLYGCPSA-N 2 0 360.524 -0.152 20 0 FBADRP CC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+]([C@@H](C)C(=O)NC(N)=O)C2 ZINC001111926149 842814908 /nfs/dbraw/zinc/81/49/08/842814908.db2.gz ZUMDJGXEOWPQMM-DCGLDWPTSA-N 2 0 353.467 -0.118 20 0 FBADRP CC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+]([C@H](C)C(=O)NC(N)=O)C2 ZINC001111926150 842815328 /nfs/dbraw/zinc/81/53/28/842815328.db2.gz ZUMDJGXEOWPQMM-IGCXYCKISA-N 2 0 353.467 -0.118 20 0 FBADRP CS(=O)(=O)NCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001111937952 842817316 /nfs/dbraw/zinc/81/73/16/842817316.db2.gz DDZOQZPFSQFIPJ-YOEHRIQHSA-N 2 0 370.519 -0.398 20 0 FBADRP C[NH+](C)CCOCC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H]1CCCNC1=O)C2 ZINC001111938186 842816647 /nfs/dbraw/zinc/81/66/47/842816647.db2.gz OXWKGEOBDYBTLN-DAYGRLMNSA-N 2 0 352.479 -0.186 20 0 FBADRP C[NH+](C)CCOCC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H]1CCCNC1=O)C2 ZINC001111938187 842817625 /nfs/dbraw/zinc/81/76/25/842817625.db2.gz OXWKGEOBDYBTLN-MPGHIAIKSA-N 2 0 352.479 -0.186 20 0 FBADRP C[NH+](C)CCOCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NC1CC1)C2 ZINC001111938236 842816707 /nfs/dbraw/zinc/81/67/07/842816707.db2.gz RXNAEJQLOINRPO-KSSFIOAISA-N 2 0 352.479 -0.186 20 0 FBADRP C[NH+](C)CCOCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)N1CCC1)C2 ZINC001111938272 842817509 /nfs/dbraw/zinc/81/75/09/842817509.db2.gz UBHWWYYXXAKURD-YJBOKZPZSA-N 2 0 352.479 -0.232 20 0 FBADRP CN1CC[C@@H]([N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)COCC[NH+](C)C)C2)C1=O ZINC001111939796 836043720 /nfs/dbraw/zinc/04/37/20/836043720.db2.gz SWUKREAOPLJMCS-DAYGRLMNSA-N 2 0 352.479 -0.234 20 0 FBADRP CN1CC[C@H]([N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)COCC[NH+](C)C)C2)C1=O ZINC001111939797 836043653 /nfs/dbraw/zinc/04/36/53/836043653.db2.gz SWUKREAOPLJMCS-MPGHIAIKSA-N 2 0 352.479 -0.234 20 0 FBADRP C[NH+](C)CCOCC(=O)N[C@]12CCC[C@H]1C[N@H+](CCn1cncn1)C2 ZINC001111939888 836043772 /nfs/dbraw/zinc/04/37/72/836043772.db2.gz YGSPVWKORMGHOF-RDJZCZTQSA-N 2 0 350.467 -0.173 20 0 FBADRP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+]([C@@H](C)C(=O)NC(N)=O)C2 ZINC001111949391 842818616 /nfs/dbraw/zinc/81/86/16/842818616.db2.gz BYFAWNLJCWSTBL-DCGLDWPTSA-N 2 0 353.467 -0.118 20 0 FBADRP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+]([C@H](C)C(=O)NC(N)=O)C2 ZINC001111949392 842818382 /nfs/dbraw/zinc/81/83/82/842818382.db2.gz BYFAWNLJCWSTBL-IGCXYCKISA-N 2 0 353.467 -0.118 20 0 FBADRP CC(C)[N@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+]([C@@H](C)C(=O)NC(N)=O)C2 ZINC001112005146 842822574 /nfs/dbraw/zinc/82/25/74/842822574.db2.gz XEKKAXIKCGLESZ-DCGLDWPTSA-N 2 0 353.467 -0.119 20 0 FBADRP CC(C)[N@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+]([C@H](C)C(=O)NC(N)=O)C2 ZINC001112005148 842822785 /nfs/dbraw/zinc/82/27/85/842822785.db2.gz XEKKAXIKCGLESZ-IGCXYCKISA-N 2 0 353.467 -0.119 20 0 FBADRP C[NH+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001112160161 836250347 /nfs/dbraw/zinc/25/03/47/836250347.db2.gz VRQFTTMNLUSBHV-GMTAPVOTSA-N 2 0 364.368 -0.278 20 0 FBADRP C[NH+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001112160162 836250174 /nfs/dbraw/zinc/25/01/74/836250174.db2.gz VRQFTTMNLUSBHV-OUAUKWLOSA-N 2 0 364.368 -0.278 20 0 FBADRP C[NH+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001112160232 842852072 /nfs/dbraw/zinc/85/20/72/842852072.db2.gz YXCRWPUTOCQWRO-VXGBXAGGSA-N 2 0 365.400 -0.058 20 0 FBADRP C[NH+](C)CCOCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCCO)C1 ZINC001112194041 842858936 /nfs/dbraw/zinc/85/89/36/842858936.db2.gz JCIRVKNWBPUSMW-CHWSQXEVSA-N 2 0 371.400 -0.448 20 0 FBADRP COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112194245 842859790 /nfs/dbraw/zinc/85/97/90/842859790.db2.gz UWLULPCPICKSCR-JHJVBQTASA-N 2 0 371.400 -0.449 20 0 FBADRP COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112194246 842859820 /nfs/dbraw/zinc/85/98/20/842859820.db2.gz UWLULPCPICKSCR-YNEHKIRRSA-N 2 0 371.400 -0.449 20 0 FBADRP CC[C@H]([NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C(F)(F)F)C(N)=O ZINC001112194344 842859359 /nfs/dbraw/zinc/85/93/59/842859359.db2.gz ZTSHAVCKUHVSLR-GRYCIOLGSA-N 2 0 368.400 -0.193 20 0 FBADRP CC[C@@H]([NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C(F)(F)F)C(N)=O ZINC001112194345 842859953 /nfs/dbraw/zinc/85/99/53/842859953.db2.gz ZTSHAVCKUHVSLR-IJLUTSLNSA-N 2 0 368.400 -0.193 20 0 FBADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCCO)C2)C1 ZINC001112206313 842862262 /nfs/dbraw/zinc/86/22/62/842862262.db2.gz NAMGAXCTBCYNBF-JHJVBQTASA-N 2 0 353.385 -0.074 20 0 FBADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCCO)C2)C1 ZINC001112206316 842863247 /nfs/dbraw/zinc/86/32/47/842863247.db2.gz NAMGAXCTBCYNBF-YNEHKIRRSA-N 2 0 353.385 -0.074 20 0 FBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC(N)=O)C1 ZINC001112285058 842868670 /nfs/dbraw/zinc/86/86/70/842868670.db2.gz KKRSYWJDAJEPDJ-AHIWAGSCSA-N 2 0 351.451 -0.506 20 0 FBADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC(N)=O)C1 ZINC001112285059 842868910 /nfs/dbraw/zinc/86/89/10/842868910.db2.gz KKRSYWJDAJEPDJ-DCGLDWPTSA-N 2 0 351.451 -0.506 20 0 FBADRP CC[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC(N)=O)C1)[NH+](C)C ZINC001112425557 842874494 /nfs/dbraw/zinc/87/44/94/842874494.db2.gz RATJXBFSBFNMHU-AHIWAGSCSA-N 2 0 353.467 -0.260 20 0 FBADRP C[NH+](C)CCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC(N)=O)C1 ZINC001112519171 836041759 /nfs/dbraw/zinc/04/17/59/836041759.db2.gz XPNGINCALZODBP-GUYCJALGSA-N 2 0 353.467 -0.259 20 0 FBADRP C[NH+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCNS(C)(=O)=O)C1 ZINC001112522650 836055094 /nfs/dbraw/zinc/05/50/94/836055094.db2.gz ILLUGLWOJRVZCY-HOCLYGCPSA-N 2 0 360.524 -0.294 20 0 FBADRP C[C@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[NH+](C)C)C2)C(=O)NC(N)=O ZINC001112522911 836056662 /nfs/dbraw/zinc/05/66/62/836056662.db2.gz UEAUEMACWIJGBJ-DCGLDWPTSA-N 2 0 353.467 -0.260 20 0 FBADRP C[C@@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[NH+](C)C)C2)C(=O)NC(N)=O ZINC001112522912 836056199 /nfs/dbraw/zinc/05/61/99/836056199.db2.gz UEAUEMACWIJGBJ-IGCXYCKISA-N 2 0 353.467 -0.260 20 0 FBADRP C[NH+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001112523206 836087119 /nfs/dbraw/zinc/08/71/19/836087119.db2.gz HRRCZRREPKIBAW-DEYYWGMASA-N 2 0 350.463 -0.038 20 0 FBADRP C[NH+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001112523207 836087232 /nfs/dbraw/zinc/08/72/32/836087232.db2.gz HRRCZRREPKIBAW-IYOUNJFTSA-N 2 0 350.463 -0.038 20 0 FBADRP Cn1[nH]c(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)CC[NH+](C)C)C3)nc1=O ZINC001112523439 836086934 /nfs/dbraw/zinc/08/69/34/836086934.db2.gz SYQOJWZPWQTFDQ-GUYCJALGSA-N 2 0 350.467 -0.222 20 0 FBADRP CNC(=O)NC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[NH+](C)C)C2 ZINC001112523445 836087174 /nfs/dbraw/zinc/08/71/74/836087174.db2.gz UEPZIACFNSOFBC-GUYCJALGSA-N 2 0 353.467 -0.388 20 0 FBADRP CC[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC(N)=O)C1)[NH+](C)C ZINC001112531317 836091444 /nfs/dbraw/zinc/09/14/44/836091444.db2.gz RATJXBFSBFNMHU-DCGLDWPTSA-N 2 0 353.467 -0.260 20 0 FBADRP CC[NH+](CC)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC(N)=O)C1 ZINC001112548556 839464367 /nfs/dbraw/zinc/46/43/67/839464367.db2.gz GDKPVCCQSZKAOI-GUYCJALGSA-N 2 0 353.467 -0.259 20 0 FBADRP C[NH+]1CCC(OCC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(N)=O)C2)CC1 ZINC001112552842 839464129 /nfs/dbraw/zinc/46/41/29/839464129.db2.gz RPXOCAMONKBNBU-KSSFIOAISA-N 2 0 352.479 -0.199 20 0 FBADRP CC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC(N)=O)C1 ZINC001112557690 839465896 /nfs/dbraw/zinc/46/58/96/839465896.db2.gz SNHHKDIOAMBGSZ-GUYCJALGSA-N 2 0 353.467 -0.259 20 0 FBADRP C[NH+](C)CCOCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H]2CCNC2=O)C1 ZINC001112563676 839465775 /nfs/dbraw/zinc/46/57/75/839465775.db2.gz HSHSSJRZDKSTPT-DAYGRLMNSA-N 2 0 352.479 -0.329 20 0 FBADRP C[NH+](C)CCOCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H]2CCNC2=O)C1 ZINC001112563677 839465934 /nfs/dbraw/zinc/46/59/34/839465934.db2.gz HSHSSJRZDKSTPT-MPGHIAIKSA-N 2 0 352.479 -0.329 20 0 FBADRP CN(C)C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)COCC[NH+](C)C)C2 ZINC001112563756 839466036 /nfs/dbraw/zinc/46/60/36/839466036.db2.gz MEJLPRLZJAVJIJ-YJBOKZPZSA-N 2 0 354.495 -0.129 20 0 FBADRP CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)COCC[NH+](C)C)C2 ZINC001112563879 839467053 /nfs/dbraw/zinc/46/70/53/839467053.db2.gz ROHADZNKKVNKDZ-YJBOKZPZSA-N 2 0 354.495 -0.081 20 0 FBADRP CNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)COCC[NH+](C)C)C2 ZINC001112563888 839466890 /nfs/dbraw/zinc/46/68/90/839466890.db2.gz RYMNIQGDNFIGEE-MPGHIAIKSA-N 2 0 354.495 -0.083 20 0 FBADRP CNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)COCC[NH+](C)C)C2 ZINC001112563889 839467177 /nfs/dbraw/zinc/46/71/77/839467177.db2.gz RYMNIQGDNFIGEE-VKJFTORMSA-N 2 0 354.495 -0.083 20 0 FBADRP C[NH+](C)CCOCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOCCO)C1 ZINC001112563895 839466942 /nfs/dbraw/zinc/46/69/42/839466942.db2.gz SHOFITOWXYCWKU-WMZOPIPTSA-N 2 0 357.495 -0.208 20 0 FBADRP COC[C@@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)COCC[NH+](C)C)C2 ZINC001112563987 839467022 /nfs/dbraw/zinc/46/70/22/839467022.db2.gz XXMMDDFEZSGMHP-BQFCYCMXSA-N 2 0 357.495 -0.210 20 0 FBADRP COC[C@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)COCC[NH+](C)C)C2 ZINC001112563988 839467087 /nfs/dbraw/zinc/46/70/87/839467087.db2.gz XXMMDDFEZSGMHP-JZXOWHBKSA-N 2 0 357.495 -0.210 20 0 FBADRP CCC[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC(N)=O)C1 ZINC001112567620 839466820 /nfs/dbraw/zinc/46/68/20/839466820.db2.gz ZJSKUJSMRTVYCU-GUYCJALGSA-N 2 0 353.467 -0.259 20 0 FBADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001112578474 839469284 /nfs/dbraw/zinc/46/92/84/839469284.db2.gz QBVCPBHUULSSIJ-DCGLDWPTSA-N 2 0 351.451 -0.649 20 0 FBADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001112578475 839468670 /nfs/dbraw/zinc/46/86/70/839468670.db2.gz QBVCPBHUULSSIJ-IGCXYCKISA-N 2 0 351.451 -0.649 20 0 FBADRP NC(=O)NC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[NH+]1CCCC1)C2 ZINC001112579005 839468836 /nfs/dbraw/zinc/46/88/36/839468836.db2.gz RUXIUUUFJBKANF-GUYCJALGSA-N 2 0 351.451 -0.505 20 0 FBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(N)=O)C1 ZINC001112579328 839468814 /nfs/dbraw/zinc/46/88/14/839468814.db2.gz HZIDYSJAMRKMRN-MPGHIAIKSA-N 2 0 352.479 -0.342 20 0 FBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(N)=O)C1 ZINC001112579329 839468931 /nfs/dbraw/zinc/46/89/31/839468931.db2.gz HZIDYSJAMRKMRN-VKJFTORMSA-N 2 0 352.479 -0.342 20 0 FBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC(N)=O)C1 ZINC001112585627 839469943 /nfs/dbraw/zinc/46/99/43/839469943.db2.gz JFJOIYGVOXCZCF-GUYCJALGSA-N 2 0 353.467 -0.260 20 0 FBADRP CC(C)COC[C@H](O)CN1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC001113008594 839478037 /nfs/dbraw/zinc/47/80/37/839478037.db2.gz WGLMYXFVDIGFOZ-BRWVUGGUSA-N 2 0 357.495 -0.117 20 0 FBADRP CC(C)COC[C@@H](O)CN1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC001113008595 839477603 /nfs/dbraw/zinc/47/76/03/839477603.db2.gz WGLMYXFVDIGFOZ-IXDOHACOSA-N 2 0 357.495 -0.117 20 0 FBADRP CC(=O)NCCOCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001114298088 839498408 /nfs/dbraw/zinc/49/84/08/839498408.db2.gz CKWKARROHSMBKB-MNLARUNXSA-N 2 0 352.479 -0.474 20 0 FBADRP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCN(C)S(C)(=O)=O)C[C@H]32)CC[N@@H+]1C ZINC001114298717 839498533 /nfs/dbraw/zinc/49/85/33/839498533.db2.gz PWYKXGBXYZMAGP-ZSAUSMIDSA-N 2 0 358.508 -0.736 20 0 FBADRP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(=O)NC(N)=O)CCCCC2)CC[N@@H+]1C ZINC001115543415 842877152 /nfs/dbraw/zinc/87/71/52/842877152.db2.gz HBYHSLHCHQOPLE-CHWSQXEVSA-N 2 0 353.467 -0.070 20 0 FBADRP CC(C)[NH+]1CCN(CCC[NH+]2CCN(CCS(N)(=O)=O)CC2)CC1 ZINC001116751327 842976431 /nfs/dbraw/zinc/97/64/31/842976431.db2.gz GPZGIBKFFOEFLY-UHFFFAOYSA-N 2 0 361.556 -0.691 20 0 FBADRP CN1CC[NH+](CCCCNC(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)CC1 ZINC001116954413 843002841 /nfs/dbraw/zinc/00/28/41/843002841.db2.gz VPKMNBDSSWMNGD-INIZCTEOSA-N 2 0 353.511 -0.460 20 0 FBADRP CN1CC[NH+](CCCCNC(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)CC1 ZINC001116954414 843003474 /nfs/dbraw/zinc/00/34/74/843003474.db2.gz VPKMNBDSSWMNGD-MRXNPFEDSA-N 2 0 353.511 -0.460 20 0 FBADRP CC[NH+]1CCC(NC(=O)C(=O)N(C)CCCN2CC[NH+](C)CC2)CC1 ZINC001116991285 843009644 /nfs/dbraw/zinc/00/96/44/843009644.db2.gz XTYNQTGBTUVCGK-UHFFFAOYSA-N 2 0 353.511 -0.317 20 0 FBADRP CN(CC[NH+](C)C)C(=O)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC001117169415 843050986 /nfs/dbraw/zinc/05/09/86/843050986.db2.gz FEMDYWOWLSZVAQ-UHFFFAOYSA-N 2 0 353.511 -0.319 20 0 FBADRP CC(C)N1C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1=O ZINC001117222877 843055799 /nfs/dbraw/zinc/05/57/99/843055799.db2.gz NODFDUAGWQOICE-AWEZNQCLSA-N 2 0 355.483 -0.936 20 0 FBADRP CC(C)N1C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1=O ZINC001117222878 843055774 /nfs/dbraw/zinc/05/57/74/843055774.db2.gz NODFDUAGWQOICE-CQSZACIVSA-N 2 0 355.483 -0.936 20 0 FBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)CC[N@@H+]1C ZINC001117360973 843083847 /nfs/dbraw/zinc/08/38/47/843083847.db2.gz WIULORBXERAQHV-CVEARBPZSA-N 2 0 353.511 -0.271 20 0 FBADRP C[C@H]1C[C@@H](NC(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)CC[N@@H+]1C ZINC001117360974 843083529 /nfs/dbraw/zinc/08/35/29/843083529.db2.gz WIULORBXERAQHV-HOTGVXAUSA-N 2 0 353.511 -0.271 20 0 FBADRP C[C@@H]1C[C@H](NC(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)CC[N@@H+]1C ZINC001117360975 843083935 /nfs/dbraw/zinc/08/39/35/843083935.db2.gz WIULORBXERAQHV-HZPDHXFCSA-N 2 0 353.511 -0.271 20 0 FBADRP C[C@H]1C[C@H](NC(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)CC[N@@H+]1C ZINC001117360976 843084671 /nfs/dbraw/zinc/08/46/71/843084671.db2.gz WIULORBXERAQHV-JKSUJKDBSA-N 2 0 353.511 -0.271 20 0 FBADRP CSC1(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCOCC1 ZINC001117500156 843111652 /nfs/dbraw/zinc/11/16/52/843111652.db2.gz YDQQMBAMCYRPLJ-UHFFFAOYSA-N 2 0 374.551 -0.033 20 0 FBADRP C[NH+](C)CCNC(=O)C1CC[NH+](C[C@H](O)COC2CCOCC2)CC1 ZINC001117562908 843124147 /nfs/dbraw/zinc/12/41/47/843124147.db2.gz LVJNNPYRKJFELC-INIZCTEOSA-N 2 0 357.495 -0.067 20 0 FBADRP C[NH+](C)CCNC(=O)C1CC[NH+](C[C@@H](O)COC2CCOCC2)CC1 ZINC001117562909 843123868 /nfs/dbraw/zinc/12/38/68/843123868.db2.gz LVJNNPYRKJFELC-MRXNPFEDSA-N 2 0 357.495 -0.067 20 0 FBADRP CC[C@@]1(CO)CCCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC001117859202 843169048 /nfs/dbraw/zinc/16/90/48/843169048.db2.gz XKPUZDOESZBEQS-GOSISDBHSA-N 2 0 356.511 -0.051 20 0 FBADRP CC[C@]1(CO)CCCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC001117859203 843168836 /nfs/dbraw/zinc/16/88/36/843168836.db2.gz XKPUZDOESZBEQS-SFHVURJKSA-N 2 0 356.511 -0.051 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCC[C@H](C)[NH2+]C)CC1 ZINC001117981019 843182535 /nfs/dbraw/zinc/18/25/35/843182535.db2.gz PIGMSFKJWOZWRZ-AWEZNQCLSA-N 2 0 355.483 -0.887 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCC[C@@H](C)[NH2+]C)CC1 ZINC001117981020 843182912 /nfs/dbraw/zinc/18/29/12/843182912.db2.gz PIGMSFKJWOZWRZ-CQSZACIVSA-N 2 0 355.483 -0.887 20 0 FBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CC[NH2+]C(C)(C)C3)CC2)C1 ZINC001118060180 843189718 /nfs/dbraw/zinc/18/97/18/843189718.db2.gz XMKHABAQTOQJOA-HNNXBMFYSA-N 2 0 351.495 -0.565 20 0 FBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CC[NH2+]C(C)(C)C3)CC2)C1 ZINC001118060182 843189268 /nfs/dbraw/zinc/18/92/68/843189268.db2.gz XMKHABAQTOQJOA-OAHLLOKOSA-N 2 0 351.495 -0.565 20 0 FBADRP C[NH+]1CCN(c2ccc(C[NH2+]CC3(O)CCS(=O)(=O)CC3)cn2)CC1 ZINC001118085985 843190447 /nfs/dbraw/zinc/19/04/47/843190447.db2.gz NHSWJQQSCGRGHE-UHFFFAOYSA-N 2 0 368.503 -0.137 20 0 FBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2cccc(NS(C)(=O)=O)c2)CC1 ZINC001118086228 843190795 /nfs/dbraw/zinc/19/07/95/843190795.db2.gz RSXPTVBJQCKDJX-INIZCTEOSA-N 2 0 356.492 -0.244 20 0 FBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2cccc(NS(C)(=O)=O)c2)CC1 ZINC001118086229 843190293 /nfs/dbraw/zinc/19/02/93/843190293.db2.gz RSXPTVBJQCKDJX-MRXNPFEDSA-N 2 0 356.492 -0.244 20 0 FBADRP COCC(C)(C)N1CCN(C(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)CC1 ZINC001118099960 843191925 /nfs/dbraw/zinc/19/19/25/843191925.db2.gz QJCMEKSYEHJQKE-HNNXBMFYSA-N 2 0 354.495 -0.034 20 0 FBADRP COCC(C)(C)N1CCN(C(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)CC1 ZINC001118099961 843191830 /nfs/dbraw/zinc/19/18/30/843191830.db2.gz QJCMEKSYEHJQKE-OAHLLOKOSA-N 2 0 354.495 -0.034 20 0 FBADRP CCCNC(=O)CN1CCC([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)CC1 ZINC001118147227 843198895 /nfs/dbraw/zinc/19/88/95/843198895.db2.gz ISMUDFCCPXYXJT-KRWDZBQOSA-N 2 0 355.527 -0.825 20 0 FBADRP CCCNC(=O)CN1CCC([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)CC1 ZINC001118147237 843199035 /nfs/dbraw/zinc/19/90/35/843199035.db2.gz ISMUDFCCPXYXJT-QGZVFWFLSA-N 2 0 355.527 -0.825 20 0 FBADRP COCC1(CNC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CC[NH2+]CC1 ZINC001118149058 843200209 /nfs/dbraw/zinc/20/02/09/843200209.db2.gz WBMHVJCXIFWMLR-LSDHHAIUSA-N 2 0 350.467 -0.128 20 0 FBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2ccccc2CS(C)(=O)=O)CC1 ZINC001118149680 843199928 /nfs/dbraw/zinc/19/99/28/843199928.db2.gz MLCQQMYDMHGKEI-KRWDZBQOSA-N 2 0 355.504 -0.071 20 0 FBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2ccccc2CS(C)(=O)=O)CC1 ZINC001118149681 843199999 /nfs/dbraw/zinc/19/99/99/843199999.db2.gz MLCQQMYDMHGKEI-QGZVFWFLSA-N 2 0 355.504 -0.071 20 0 FBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)CC1 ZINC001118149996 843199972 /nfs/dbraw/zinc/19/99/72/843199972.db2.gz UUEYPBRITHUAHG-HNNXBMFYSA-N 2 0 360.524 -0.859 20 0 FBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)CC1 ZINC001118149997 843200278 /nfs/dbraw/zinc/20/02/78/843200278.db2.gz UUEYPBRITHUAHG-OAHLLOKOSA-N 2 0 360.524 -0.859 20 0 FBADRP COCCN1[C@H](C)CN(C(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)C[C@@H]1C ZINC001118185634 843207798 /nfs/dbraw/zinc/20/77/98/843207798.db2.gz BDROOROBLULNCU-OWCLPIDISA-N 2 0 354.495 -0.036 20 0 FBADRP COCCN1[C@H](C)CN(C(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)C[C@@H]1C ZINC001118185635 843207776 /nfs/dbraw/zinc/20/77/76/843207776.db2.gz BDROOROBLULNCU-XHSDSOJGSA-N 2 0 354.495 -0.036 20 0 FBADRP NS(=O)(=O)c1ccc(CCNC(=O)CC[N@@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC001118197176 843210711 /nfs/dbraw/zinc/21/07/11/843210711.db2.gz OLLJFRYFLFUTCJ-AWEZNQCLSA-N 2 0 354.476 -0.337 20 0 FBADRP NS(=O)(=O)c1ccc(CCNC(=O)CC[N@@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC001118197178 843210980 /nfs/dbraw/zinc/21/09/80/843210980.db2.gz OLLJFRYFLFUTCJ-CQSZACIVSA-N 2 0 354.476 -0.337 20 0 FBADRP O=C(CC[NH+]1CCC(N2CCS(=O)(=O)CC2)CC1)N1CC[NH2+]CC1 ZINC001118198902 843212106 /nfs/dbraw/zinc/21/21/06/843212106.db2.gz YHDHGYAEVFAFFP-UHFFFAOYSA-N 2 0 358.508 -0.997 20 0 FBADRP O=C(C[C@@H]1CSCC[NH2+]1)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001118230096 843218758 /nfs/dbraw/zinc/21/87/58/843218758.db2.gz KRNKJDDNKYFNLT-BPLDGKMQSA-N 2 0 367.519 -0.172 20 0 FBADRP O=C(C[C@@H]1CSCC[NH2+]1)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001118230101 843218840 /nfs/dbraw/zinc/21/88/40/843218840.db2.gz KRNKJDDNKYFNLT-SNPRPXQTSA-N 2 0 367.519 -0.172 20 0 FBADRP O=C(C[C@@H]1CSCC[NH2+]1)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001118230102 843218368 /nfs/dbraw/zinc/21/83/68/843218368.db2.gz KRNKJDDNKYFNLT-VHDGCEQUSA-N 2 0 367.519 -0.172 20 0 FBADRP O=C(C[C@@H]1CSCC[NH2+]1)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001118230103 843218773 /nfs/dbraw/zinc/21/87/73/843218773.db2.gz KRNKJDDNKYFNLT-YUELXQCFSA-N 2 0 367.519 -0.172 20 0 FBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2ccc(S(=O)(=O)CCO)cc2)CC1 ZINC001118243027 843222239 /nfs/dbraw/zinc/22/22/39/843222239.db2.gz MRTSKRLMAHKWCD-INIZCTEOSA-N 2 0 371.503 -0.850 20 0 FBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2ccc(S(=O)(=O)CCO)cc2)CC1 ZINC001118243028 843221846 /nfs/dbraw/zinc/22/18/46/843221846.db2.gz MRTSKRLMAHKWCD-MRXNPFEDSA-N 2 0 371.503 -0.850 20 0 FBADRP CN(CCCNC(=O)C[N@@H+]1CCCC2(CC[NH2+]CC2)C1)S(C)(=O)=O ZINC001118263702 843229393 /nfs/dbraw/zinc/22/93/93/843229393.db2.gz KZIDCPPEQSFEIB-UHFFFAOYSA-N 2 0 360.524 -0.150 20 0 FBADRP NS(=O)(=O)c1ccc(CCNC(=O)CC[NH2+]CC2([NH3+])CCC2)cc1 ZINC001118264259 843229751 /nfs/dbraw/zinc/22/97/51/843229751.db2.gz ZWLZNCDMLZWXPP-UHFFFAOYSA-N 2 0 354.476 -0.146 20 0 FBADRP [NH3+]CC1(CCNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC001118330165 843246041 /nfs/dbraw/zinc/24/60/41/843246041.db2.gz GLVCBWWBNFNFHZ-CABCVRRESA-N 2 0 352.479 -0.274 20 0 FBADRP [NH3+]CC1(CCNC(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC001118330166 843246406 /nfs/dbraw/zinc/24/64/06/843246406.db2.gz GLVCBWWBNFNFHZ-GJZGRUSLSA-N 2 0 352.479 -0.274 20 0 FBADRP [NH3+]CC1(CCNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC001118330167 843246838 /nfs/dbraw/zinc/24/68/38/843246838.db2.gz GLVCBWWBNFNFHZ-HUUCEWRRSA-N 2 0 352.479 -0.274 20 0 FBADRP [NH3+]CC1(CCNC(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC001118330168 843246184 /nfs/dbraw/zinc/24/61/84/843246184.db2.gz GLVCBWWBNFNFHZ-LSDHHAIUSA-N 2 0 352.479 -0.274 20 0 FBADRP [NH3+]CC1(CCNC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC001118330636 843246256 /nfs/dbraw/zinc/24/62/56/843246256.db2.gz VAHBWJDPIULBOY-HNNXBMFYSA-N 2 0 352.479 -0.009 20 0 FBADRP [NH3+]CC1(CCNC(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC001118330637 843246819 /nfs/dbraw/zinc/24/68/19/843246819.db2.gz VAHBWJDPIULBOY-OAHLLOKOSA-N 2 0 352.479 -0.009 20 0 FBADRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC001118481970 843275763 /nfs/dbraw/zinc/27/57/63/843275763.db2.gz GWUXTOLVRWFCBN-GFCCVEGCSA-N 2 0 351.455 -0.534 20 0 FBADRP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC001118481974 843276020 /nfs/dbraw/zinc/27/60/20/843276020.db2.gz GWUXTOLVRWFCBN-LBPRGKRZSA-N 2 0 351.455 -0.534 20 0 FBADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC001118490099 843277526 /nfs/dbraw/zinc/27/75/26/843277526.db2.gz CQJJNGYLFMIHMT-LLVKDONJSA-N 2 0 350.423 -0.943 20 0 FBADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC001118490100 843277827 /nfs/dbraw/zinc/27/78/27/843277827.db2.gz CQJJNGYLFMIHMT-NSHDSACASA-N 2 0 350.423 -0.943 20 0 FBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC001118506536 843281312 /nfs/dbraw/zinc/28/13/12/843281312.db2.gz PTUIDNZEUKRNAB-UHFFFAOYSA-N 2 0 351.455 -0.705 20 0 FBADRP CN(CC1C[NH+](C)C1)C(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC001118512836 843283935 /nfs/dbraw/zinc/28/39/35/843283935.db2.gz GVJPROYITARQNI-UHFFFAOYSA-N 2 0 354.495 -0.034 20 0 FBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CCCO[C@@H](C[NH3+])C2)CC1 ZINC001118549273 843293675 /nfs/dbraw/zinc/29/36/75/843293675.db2.gz YAIDFRJICJZSEX-HNNXBMFYSA-N 2 0 355.483 -0.264 20 0 FBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CCCO[C@H](C[NH3+])C2)CC1 ZINC001118549274 843293383 /nfs/dbraw/zinc/29/33/83/843293383.db2.gz YAIDFRJICJZSEX-OAHLLOKOSA-N 2 0 355.483 -0.264 20 0 FBADRP CC(C)[NH2+]C1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC001118554567 843294896 /nfs/dbraw/zinc/29/48/96/843294896.db2.gz XGPOCYJMWBFXKS-UHFFFAOYSA-N 2 0 350.423 -0.754 20 0 FBADRP CC(C)OC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001118569375 843298667 /nfs/dbraw/zinc/29/86/67/843298667.db2.gz GENNENNGZMYFGD-KKUMJFAQSA-N 2 0 353.467 -0.515 20 0 FBADRP CC(C)OC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001118569376 843298025 /nfs/dbraw/zinc/29/80/25/843298025.db2.gz GENNENNGZMYFGD-RRFJBIMHSA-N 2 0 353.467 -0.515 20 0 FBADRP CC(C)OC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001118569377 843298617 /nfs/dbraw/zinc/29/86/17/843298617.db2.gz GENNENNGZMYFGD-SOUVJXGZSA-N 2 0 353.467 -0.515 20 0 FBADRP CC(C)OC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001118569378 843298491 /nfs/dbraw/zinc/29/84/91/843298491.db2.gz GENNENNGZMYFGD-ZNMIVQPWSA-N 2 0 353.467 -0.515 20 0 FBADRP C[NH+](C)C1CCN(C(=O)CC2CCN(C(=O)C3(O)C[NH2+]C3)CC2)CC1 ZINC001118571656 843299023 /nfs/dbraw/zinc/29/90/23/843299023.db2.gz HBZMWPOKFBAHRL-UHFFFAOYSA-N 2 0 352.479 -0.498 20 0 FBADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)NCC2([NH3+])CCOCC2)CCCO1 ZINC001118865934 843358825 /nfs/dbraw/zinc/35/88/25/843358825.db2.gz UCZJYVPLXVQZMQ-AWEZNQCLSA-N 2 0 356.467 -0.772 20 0 FBADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NCC2([NH3+])CCOCC2)CCCO1 ZINC001118865935 843358488 /nfs/dbraw/zinc/35/84/88/843358488.db2.gz UCZJYVPLXVQZMQ-CQSZACIVSA-N 2 0 356.467 -0.772 20 0 FBADRP [NH3+]CCCOCCNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001118867841 843359237 /nfs/dbraw/zinc/35/92/37/843359237.db2.gz PPROTNLTXGQZGT-AWEZNQCLSA-N 2 0 356.467 -0.915 20 0 FBADRP [NH3+]CCCOCCNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001118867842 843359399 /nfs/dbraw/zinc/35/93/99/843359399.db2.gz PPROTNLTXGQZGT-CQSZACIVSA-N 2 0 356.467 -0.915 20 0 FBADRP CC1(C)CN(C(=O)C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)CC[NH2+]1 ZINC001118905461 843370626 /nfs/dbraw/zinc/37/06/26/843370626.db2.gz XAGNDXHEWSSSEZ-UHFFFAOYSA-N 2 0 352.479 -0.090 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=S)NCCS(C)(=O)=O)C[C@H]1C[NH+](C)C ZINC001118922506 838824077 /nfs/dbraw/zinc/82/40/77/838824077.db2.gz BSQNRJVPMLUMIH-CHWSQXEVSA-N 2 0 350.554 -0.423 20 0 FBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001118927877 843373828 /nfs/dbraw/zinc/37/38/28/843373828.db2.gz HWFRJDJQWJDHQN-HNNXBMFYSA-N 2 0 356.467 -0.950 20 0 FBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001118927879 843374325 /nfs/dbraw/zinc/37/43/25/843374325.db2.gz HWFRJDJQWJDHQN-OAHLLOKOSA-N 2 0 356.467 -0.950 20 0 FBADRP CN(CCCCCO)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001118951113 843381432 /nfs/dbraw/zinc/38/14/32/843381432.db2.gz PUWAWYQWEQQPDH-HZPDHXFCSA-N 2 0 356.511 -0.195 20 0 FBADRP C[C@@H]1C[C@H](O)CN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC001118954707 843381854 /nfs/dbraw/zinc/38/18/54/843381854.db2.gz GMXJJSCEIOACAA-FPCVCCKLSA-N 2 0 354.495 -0.587 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3[C@@H](C2)C3(F)F)C[C@H]1C[NH+](C)C ZINC001118957013 843382900 /nfs/dbraw/zinc/38/29/00/843382900.db2.gz IYNFUNJQCGLSSN-SYQHCUMBSA-N 2 0 358.433 -0.092 20 0 FBADRP C[NH2+]C1CCN(C(=O)C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)CC1 ZINC001118961958 843384132 /nfs/dbraw/zinc/38/41/32/843384132.db2.gz ATGVWCSMSLKZRO-UHFFFAOYSA-N 2 0 352.479 -0.090 20 0 FBADRP CN1CC[NH+](C2CCN(C(=O)NC[C@H]3C[N@H+](C)CCN3C)CC2)CC1 ZINC001118970079 843386346 /nfs/dbraw/zinc/38/63/46/843386346.db2.gz HLCKYLKPFDJYTJ-KRWDZBQOSA-N 2 0 352.527 -0.346 20 0 FBADRP CN1CC[NH+](C2CCN(C(=O)NC[C@@H]3C[N@H+](C)CCN3C)CC2)CC1 ZINC001118970083 843385724 /nfs/dbraw/zinc/38/57/24/843385724.db2.gz HLCKYLKPFDJYTJ-QGZVFWFLSA-N 2 0 352.527 -0.346 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)c2ccnc(S(N)(=O)=O)c2)C[C@H]1C[NH+](C)C ZINC001118981722 843387093 /nfs/dbraw/zinc/38/70/93/843387093.db2.gz AZNROGJJFNCGQI-ZIAGYGMSSA-N 2 0 369.491 -0.460 20 0 FBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001118996530 843388430 /nfs/dbraw/zinc/38/84/30/843388430.db2.gz QBNFTOFMQOIAFN-HUUCEWRRSA-N 3 0 361.556 -0.414 20 0 FBADRP O=C(CO[C@@H]1CCC[NH2+]C1)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001119004245 843389914 /nfs/dbraw/zinc/38/99/14/843389914.db2.gz WOLKUQWXPKIIQQ-KFWWJZLASA-N 2 0 352.435 -0.461 20 0 FBADRP O=C(CO[C@H]1CCC[NH2+]C1)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001119004246 843389673 /nfs/dbraw/zinc/38/96/73/843389673.db2.gz WOLKUQWXPKIIQQ-ZNMIVQPWSA-N 2 0 352.435 -0.461 20 0 FBADRP C[C@H](O)[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC001119005530 843389873 /nfs/dbraw/zinc/38/98/73/843389873.db2.gz BZKPCUVEFBHJBH-CAOSSQGBSA-N 2 0 354.495 -0.587 20 0 FBADRP C[C@@H](O)[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC001119005531 843389966 /nfs/dbraw/zinc/38/99/66/843389966.db2.gz BZKPCUVEFBHJBH-KLHDSHLOSA-N 2 0 354.495 -0.587 20 0 FBADRP C[C@@H](O)[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC001119005532 843389488 /nfs/dbraw/zinc/38/94/88/843389488.db2.gz BZKPCUVEFBHJBH-QKPAOTATSA-N 2 0 354.495 -0.587 20 0 FBADRP C[C@H](O)[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC001119005533 843389609 /nfs/dbraw/zinc/38/96/09/843389609.db2.gz BZKPCUVEFBHJBH-ZJIFWQFVSA-N 2 0 354.495 -0.587 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CCO)C[C@H]1C[NH+](C)C ZINC001119019736 843394409 /nfs/dbraw/zinc/39/44/09/843394409.db2.gz PESPDBRDIZEMEN-BZUAXINKSA-N 2 0 354.495 -0.442 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2CCO)C[C@H]1C[NH+](C)C ZINC001119019738 843393919 /nfs/dbraw/zinc/39/39/19/843393919.db2.gz PESPDBRDIZEMEN-OAGGEKHMSA-N 2 0 354.495 -0.442 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)C[C@H]1C[NH+](C)C ZINC001119037796 843399209 /nfs/dbraw/zinc/39/92/09/843399209.db2.gz XKNIWBUZYGZLGY-HUUCEWRRSA-N 3 0 353.511 -0.605 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)CN2C(=O)NC(C)(C)C2=O)C[C@H]1C[NH+](C)C ZINC001119044170 843400136 /nfs/dbraw/zinc/40/01/36/843400136.db2.gz AYUVEQSYOBMSBP-CHWSQXEVSA-N 2 0 353.467 -0.485 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)CCn2cc[nH]c(=O)c2=O)C[C@H]1C[NH+](C)C ZINC001119045480 843399859 /nfs/dbraw/zinc/39/98/59/843399859.db2.gz OEGRYFKXFJRDFY-ZIAGYGMSSA-N 2 0 351.451 -0.876 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cnn(C[C@@H](O)CO)c2)C[C@H]1C[NH+](C)C ZINC001119045948 843400033 /nfs/dbraw/zinc/40/00/33/843400033.db2.gz VWEMMVMZBJULOI-BZUAXINKSA-N 2 0 353.467 -0.952 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cnn(C[C@H](O)CO)c2)C[C@H]1C[NH+](C)C ZINC001119045949 843399724 /nfs/dbraw/zinc/39/97/24/843399724.db2.gz VWEMMVMZBJULOI-OAGGEKHMSA-N 2 0 353.467 -0.952 20 0 FBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)C1 ZINC001119067645 843401543 /nfs/dbraw/zinc/40/15/43/843401543.db2.gz LNWNCYKUQZEFAS-LOUJCGABSA-N 2 0 352.435 -0.463 20 0 FBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)C1 ZINC001119067646 843401721 /nfs/dbraw/zinc/40/17/21/843401721.db2.gz LNWNCYKUQZEFAS-QDEZUTFSSA-N 2 0 352.435 -0.463 20 0 FBADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)C1 ZINC001119067647 843401598 /nfs/dbraw/zinc/40/15/98/843401598.db2.gz LNWNCYKUQZEFAS-VWPFQQQWSA-N 2 0 352.435 -0.463 20 0 FBADRP CO[C@H]1C[NH2+][C@](C)(C(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)C1 ZINC001119067649 843401710 /nfs/dbraw/zinc/40/17/10/843401710.db2.gz LNWNCYKUQZEFAS-WVZRYYJFSA-N 2 0 352.435 -0.463 20 0 FBADRP CO[C@H]1C[C@@H](CNC(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC001119092619 843407401 /nfs/dbraw/zinc/40/74/01/843407401.db2.gz DNGRKBCEDNINJL-FPCVCCKLSA-N 2 0 354.495 -0.275 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NCC2([S@@](C)=O)CC2)C[C@H]1C[NH+](C)C ZINC001119166864 843418499 /nfs/dbraw/zinc/41/84/99/843418499.db2.gz HANJWRAGPYRNSL-FPIQFJIESA-N 2 0 372.535 -0.789 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NCC2([S@](C)=O)CC2)C[C@H]1C[NH+](C)C ZINC001119166865 843418576 /nfs/dbraw/zinc/41/85/76/843418576.db2.gz HANJWRAGPYRNSL-IEBYYPBYSA-N 2 0 372.535 -0.789 20 0 FBADRP Cc1ocnc1CNC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001119201977 843424722 /nfs/dbraw/zinc/42/47/22/843424722.db2.gz OXPYSEIMWSSCSD-ZIAGYGMSSA-N 2 0 351.451 -0.203 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC001119206996 843425536 /nfs/dbraw/zinc/42/55/36/843425536.db2.gz OTTWPDRBGVVBSC-GVRJEKJASA-N 2 0 352.479 -0.522 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC001119207000 843425909 /nfs/dbraw/zinc/42/59/09/843425909.db2.gz OTTWPDRBGVVBSC-RFBLXINOSA-N 2 0 352.479 -0.522 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC001119207003 843425681 /nfs/dbraw/zinc/42/56/81/843425681.db2.gz OTTWPDRBGVVBSC-ZVDSWSACSA-N 2 0 352.479 -0.522 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cn(CCCC[NH3+])nn2)C[C@H]1C[NH+](C)C ZINC001119241398 843430193 /nfs/dbraw/zinc/43/01/93/843430193.db2.gz DPFYJNWCRPHBHZ-HUUCEWRRSA-N 3 0 351.499 -0.172 20 0 FBADRP C[NH+](C)CCNC(=O)C1CC[NH+](CC(=O)NC2CC[NH+](C)CC2)CC1 ZINC001119252433 843431303 /nfs/dbraw/zinc/43/13/03/843431303.db2.gz DVOVDAAMVGANHQ-UHFFFAOYSA-N 3 0 353.511 -0.413 20 0 FBADRP COCc1n[nH]c(CNC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)n1 ZINC001119269933 843433689 /nfs/dbraw/zinc/43/36/89/843433689.db2.gz NNDMYTDHHYPMJL-CHWSQXEVSA-N 2 0 353.471 -0.168 20 0 FBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C3([S@@](C)=O)CC[NH2+]CC3)CC2)C1 ZINC001119296034 843436776 /nfs/dbraw/zinc/43/67/76/843436776.db2.gz KGVBBCVFTQOAHE-IZHWHUGBSA-N 2 0 356.536 -0.275 20 0 FBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C3([S@](C)=O)CC[NH2+]CC3)CC2)C1 ZINC001119296036 843436836 /nfs/dbraw/zinc/43/68/36/843436836.db2.gz KGVBBCVFTQOAHE-MYYSRTQBSA-N 2 0 356.536 -0.275 20 0 FBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C3([S@](C)=O)CC[NH2+]CC3)CC2)C1 ZINC001119296039 843436975 /nfs/dbraw/zinc/43/69/75/843436975.db2.gz KGVBBCVFTQOAHE-OWJWWREXSA-N 2 0 356.536 -0.275 20 0 FBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C3([S@@](C)=O)CC[NH2+]CC3)CC2)C1 ZINC001119296041 843436946 /nfs/dbraw/zinc/43/69/46/843436946.db2.gz KGVBBCVFTQOAHE-OYLFLEFRSA-N 2 0 356.536 -0.275 20 0 FBADRP COC[C@]1(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C[NH2+]CCO1 ZINC001119296472 843436731 /nfs/dbraw/zinc/43/67/31/843436731.db2.gz SJDISHMRLDTKNH-KRWDZBQOSA-N 2 0 356.467 -0.950 20 0 FBADRP COC[C@@]1(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C[NH2+]CCO1 ZINC001119296473 843436597 /nfs/dbraw/zinc/43/65/97/843436597.db2.gz SJDISHMRLDTKNH-QGZVFWFLSA-N 2 0 356.467 -0.950 20 0 FBADRP O=C(CO[C@@H]1CCC[NH2+]C1)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001119318220 843437687 /nfs/dbraw/zinc/43/76/87/843437687.db2.gz SXCDIEJQRZJMAX-DLBZAZTESA-N 2 0 354.495 -0.332 20 0 FBADRP O=C(CO[C@@H]1CCC[NH2+]C1)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001119318221 843438049 /nfs/dbraw/zinc/43/80/49/843438049.db2.gz SXCDIEJQRZJMAX-IAGOWNOFSA-N 2 0 354.495 -0.332 20 0 FBADRP O=C(CO[C@H]1CCC[NH2+]C1)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001119318222 843438297 /nfs/dbraw/zinc/43/82/97/843438297.db2.gz SXCDIEJQRZJMAX-IRXDYDNUSA-N 2 0 354.495 -0.332 20 0 FBADRP O=C(CO[C@H]1CCC[NH2+]C1)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001119318223 843437600 /nfs/dbraw/zinc/43/76/00/843437600.db2.gz SXCDIEJQRZJMAX-SJORKVTESA-N 2 0 354.495 -0.332 20 0 FBADRP CN(CC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001119328158 843439437 /nfs/dbraw/zinc/43/94/37/843439437.db2.gz SJHLOPNAJSSYKA-BZUAXINKSA-N 2 0 374.551 -0.697 20 0 FBADRP CN(CC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001119328159 843438810 /nfs/dbraw/zinc/43/88/10/843438810.db2.gz SJHLOPNAJSSYKA-OAGGEKHMSA-N 2 0 374.551 -0.697 20 0 FBADRP COCC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC001119346831 843440493 /nfs/dbraw/zinc/44/04/93/843440493.db2.gz DAJKHJWBTFQVPG-GFCCVEGCSA-N 2 0 362.421 -0.426 20 0 FBADRP COCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC001119346832 843440557 /nfs/dbraw/zinc/44/05/57/843440557.db2.gz DAJKHJWBTFQVPG-LBPRGKRZSA-N 2 0 362.421 -0.426 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001119352742 843440410 /nfs/dbraw/zinc/44/04/10/843440410.db2.gz UKDGXGPNAZUFBB-CRAIPNDOSA-N 2 0 351.495 -0.659 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001119352743 843440610 /nfs/dbraw/zinc/44/06/10/843440610.db2.gz UKDGXGPNAZUFBB-MAUKXSAKSA-N 2 0 351.495 -0.659 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001119352744 843440668 /nfs/dbraw/zinc/44/06/68/843440668.db2.gz UKDGXGPNAZUFBB-QAPCUYQASA-N 2 0 351.495 -0.659 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001119352745 843440445 /nfs/dbraw/zinc/44/04/45/843440445.db2.gz UKDGXGPNAZUFBB-YJBOKZPZSA-N 2 0 351.495 -0.659 20 0 FBADRP CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)NCC[C@H](C)[NH3+])CC2)CC1 ZINC001119353522 843440284 /nfs/dbraw/zinc/44/02/84/843440284.db2.gz YVHDJGPRUHUEAE-HNNXBMFYSA-N 2 0 353.511 -0.143 20 0 FBADRP C[NH+]1CCN(c2ccccc2CNC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)CC1 ZINC001119355668 843441635 /nfs/dbraw/zinc/44/16/35/843441635.db2.gz XANCXADQRWPEQU-HNNXBMFYSA-N 2 0 368.503 -0.183 20 0 FBADRP CN1CC[NH+](CCCCNC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)CC1 ZINC001119360792 843441371 /nfs/dbraw/zinc/44/13/71/843441371.db2.gz RDWRIMWSUZEWGX-CVEARBPZSA-N 2 0 351.495 -0.517 20 0 FBADRP CN1CC[NH+](CCCCNC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)CC1 ZINC001119360793 843441533 /nfs/dbraw/zinc/44/15/33/843441533.db2.gz RDWRIMWSUZEWGX-HOTGVXAUSA-N 2 0 351.495 -0.517 20 0 FBADRP CN1CC[NH+](CCCCNC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC001119360794 843441265 /nfs/dbraw/zinc/44/12/65/843441265.db2.gz RDWRIMWSUZEWGX-HZPDHXFCSA-N 2 0 351.495 -0.517 20 0 FBADRP CN1CC[NH+](CCCCNC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC001119360795 843441329 /nfs/dbraw/zinc/44/13/29/843441329.db2.gz RDWRIMWSUZEWGX-JKSUJKDBSA-N 2 0 351.495 -0.517 20 0 FBADRP CN1CC[NH+](C2CCN(C(=O)C(=O)NCCCCCC[NH3+])CC2)CC1 ZINC001119365040 843441288 /nfs/dbraw/zinc/44/12/88/843441288.db2.gz IZIOOGZYOMLNOX-UHFFFAOYSA-N 2 0 353.511 -0.140 20 0 FBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC001119377560 843443339 /nfs/dbraw/zinc/44/33/39/843443339.db2.gz QILRKBXBQXEJSJ-BQFCYCMXSA-N 2 0 354.495 -0.334 20 0 FBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC001119377561 843443049 /nfs/dbraw/zinc/44/30/49/843443049.db2.gz QILRKBXBQXEJSJ-RYRKJORJSA-N 2 0 354.495 -0.334 20 0 FBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC001119377562 843443319 /nfs/dbraw/zinc/44/33/19/843443319.db2.gz QILRKBXBQXEJSJ-SOLBZPMBSA-N 2 0 354.495 -0.334 20 0 FBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC001119377563 843443475 /nfs/dbraw/zinc/44/34/75/843443475.db2.gz QILRKBXBQXEJSJ-XYJFISCASA-N 2 0 354.495 -0.334 20 0 FBADRP O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001119407417 843444452 /nfs/dbraw/zinc/44/44/52/843444452.db2.gz LNTOEGFSSNMRAP-CAOSSQGBSA-N 2 0 350.463 -0.557 20 0 FBADRP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001119407418 843444499 /nfs/dbraw/zinc/44/44/99/843444499.db2.gz LNTOEGFSSNMRAP-JONQDZQNSA-N 2 0 350.463 -0.557 20 0 FBADRP O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001119407419 843444300 /nfs/dbraw/zinc/44/43/00/843444300.db2.gz LNTOEGFSSNMRAP-VGWMRTNUSA-N 2 0 350.463 -0.557 20 0 FBADRP O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001119407420 843444145 /nfs/dbraw/zinc/44/41/45/843444145.db2.gz LNTOEGFSSNMRAP-YHUYYLMFSA-N 2 0 350.463 -0.557 20 0 FBADRP [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC001119407498 843444575 /nfs/dbraw/zinc/44/45/75/843444575.db2.gz MVHLAEACKHTWQC-ARFHVFGLSA-N 2 0 352.479 -0.180 20 0 FBADRP [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC001119407499 843444198 /nfs/dbraw/zinc/44/41/98/843444198.db2.gz MVHLAEACKHTWQC-BZUAXINKSA-N 2 0 352.479 -0.180 20 0 FBADRP [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC001119407500 843444354 /nfs/dbraw/zinc/44/43/54/843444354.db2.gz MVHLAEACKHTWQC-HRCADAONSA-N 2 0 352.479 -0.180 20 0 FBADRP [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC001119407501 843444699 /nfs/dbraw/zinc/44/46/99/843444699.db2.gz MVHLAEACKHTWQC-JYJNAYRXSA-N 2 0 352.479 -0.180 20 0 FBADRP [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC001119407502 843444465 /nfs/dbraw/zinc/44/44/65/843444465.db2.gz MVHLAEACKHTWQC-OAGGEKHMSA-N 2 0 352.479 -0.180 20 0 FBADRP [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC001119407503 843444265 /nfs/dbraw/zinc/44/42/65/843444265.db2.gz MVHLAEACKHTWQC-OWCLPIDISA-N 2 0 352.479 -0.180 20 0 FBADRP [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC001119407604 843444036 /nfs/dbraw/zinc/44/40/36/843444036.db2.gz MVHLAEACKHTWQC-PMPSAXMXSA-N 2 0 352.479 -0.180 20 0 FBADRP [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC001119407605 843444653 /nfs/dbraw/zinc/44/46/53/843444653.db2.gz MVHLAEACKHTWQC-XHSDSOJGSA-N 2 0 352.479 -0.180 20 0 FBADRP COCC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001119407867 843444584 /nfs/dbraw/zinc/44/45/84/843444584.db2.gz QTVDEOQWGKWESA-RBVVOMGSSA-N 2 0 352.479 -0.140 20 0 FBADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CC[NH2+]CCC23CCC3)CC1 ZINC001119407883 843444657 /nfs/dbraw/zinc/44/46/57/843444657.db2.gz RBPBKTDLOXARFN-UHFFFAOYSA-N 2 0 352.479 -0.042 20 0 FBADRP [NH3+]C[C@H]1CCCN1C(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC001119408308 843444496 /nfs/dbraw/zinc/44/44/96/843444496.db2.gz URYMQSPVGACAGJ-BZUAXINKSA-N 2 0 352.479 -0.180 20 0 FBADRP [NH3+]C[C@H]1CCCN1C(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC001119408309 843444214 /nfs/dbraw/zinc/44/42/14/843444214.db2.gz URYMQSPVGACAGJ-OAGGEKHMSA-N 2 0 352.479 -0.180 20 0 FBADRP [NH3+]C[C@H]1CCCN1C(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC001119408310 843444130 /nfs/dbraw/zinc/44/41/30/843444130.db2.gz URYMQSPVGACAGJ-OWCLPIDISA-N 2 0 352.479 -0.180 20 0 FBADRP [NH3+]C[C@H]1CCCN1C(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC001119408311 843444520 /nfs/dbraw/zinc/44/45/20/843444520.db2.gz URYMQSPVGACAGJ-PMPSAXMXSA-N 2 0 352.479 -0.180 20 0 FBADRP CCN(C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)[C@@H]1CC[NH2+]C1 ZINC001119411857 843444437 /nfs/dbraw/zinc/44/44/37/843444437.db2.gz MRHIHAACZGGPHH-GDBMZVCRSA-N 2 0 351.495 -0.519 20 0 FBADRP CCN(C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)[C@@H]1CC[NH2+]C1 ZINC001119411858 843444545 /nfs/dbraw/zinc/44/45/45/843444545.db2.gz MRHIHAACZGGPHH-GOEBONIOSA-N 2 0 351.495 -0.519 20 0 FBADRP CCN(C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)[C@H]1CC[NH2+]C1 ZINC001119411859 843444671 /nfs/dbraw/zinc/44/46/71/843444671.db2.gz MRHIHAACZGGPHH-HOCLYGCPSA-N 2 0 351.495 -0.519 20 0 FBADRP CCN(C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)[C@H]1CC[NH2+]C1 ZINC001119411860 843444311 /nfs/dbraw/zinc/44/43/11/843444311.db2.gz MRHIHAACZGGPHH-ZBFHGGJFSA-N 2 0 351.495 -0.519 20 0 FBADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001119412798 843445347 /nfs/dbraw/zinc/44/53/47/843445347.db2.gz ZVZHDDHGPZBHDQ-IYBDPMFKSA-N 2 0 352.479 -0.045 20 0 FBADRP CCN(C(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)[C@@H]1CC[NH2+]C1 ZINC001119416803 843445429 /nfs/dbraw/zinc/44/54/29/843445429.db2.gz IMRZUZBNKVWQMH-GDBMZVCRSA-N 2 0 352.479 -0.186 20 0 FBADRP CCN(C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@@H]1CC[NH2+]C1 ZINC001119416804 843445398 /nfs/dbraw/zinc/44/53/98/843445398.db2.gz IMRZUZBNKVWQMH-GOEBONIOSA-N 2 0 352.479 -0.186 20 0 FBADRP CCN(C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@H]1CC[NH2+]C1 ZINC001119416805 843445289 /nfs/dbraw/zinc/44/52/89/843445289.db2.gz IMRZUZBNKVWQMH-HOCLYGCPSA-N 2 0 352.479 -0.186 20 0 FBADRP CCN(C(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)[C@H]1CC[NH2+]C1 ZINC001119416806 843445419 /nfs/dbraw/zinc/44/54/19/843445419.db2.gz IMRZUZBNKVWQMH-ZBFHGGJFSA-N 2 0 352.479 -0.186 20 0 FBADRP CN(C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001119427578 843446404 /nfs/dbraw/zinc/44/64/04/843446404.db2.gz QVXNDZRWPRJYMM-IJEWVQPXSA-N 2 0 351.495 -0.533 20 0 FBADRP CN(C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001119427580 843446112 /nfs/dbraw/zinc/44/61/12/843446112.db2.gz QVXNDZRWPRJYMM-LZWOXQAQSA-N 2 0 351.495 -0.533 20 0 FBADRP COC[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001119438588 843447121 /nfs/dbraw/zinc/44/71/21/843447121.db2.gz LGHBCJQWCRMDRT-JYJNAYRXSA-N 2 0 354.495 -0.083 20 0 FBADRP COC[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001119438590 843447408 /nfs/dbraw/zinc/44/74/08/843447408.db2.gz LGHBCJQWCRMDRT-OAGGEKHMSA-N 2 0 354.495 -0.083 20 0 FBADRP COC[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001119438592 843447653 /nfs/dbraw/zinc/44/76/53/843447653.db2.gz LGHBCJQWCRMDRT-PMPSAXMXSA-N 2 0 354.495 -0.083 20 0 FBADRP COC[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001119438594 843447192 /nfs/dbraw/zinc/44/71/92/843447192.db2.gz LGHBCJQWCRMDRT-XHSDSOJGSA-N 2 0 354.495 -0.083 20 0 FBADRP O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001119483698 843449671 /nfs/dbraw/zinc/44/96/71/843449671.db2.gz WYDWTYDXVIWSOI-IKGGRYGDSA-N 2 0 351.495 -0.214 20 0 FBADRP O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001119483700 843450026 /nfs/dbraw/zinc/45/00/26/843450026.db2.gz WYDWTYDXVIWSOI-ZACQAIPSSA-N 2 0 351.495 -0.214 20 0 FBADRP COC(CNC(=O)C[C@@H]1CC[NH+](C)C1)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001119501783 843450659 /nfs/dbraw/zinc/45/06/59/843450659.db2.gz GDVMHHAEFCGIPS-GJZGRUSLSA-N 2 0 354.495 -0.083 20 0 FBADRP COC(CNC(=O)C[C@H]1CC[NH+](C)C1)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001119501784 843450775 /nfs/dbraw/zinc/45/07/75/843450775.db2.gz GDVMHHAEFCGIPS-HUUCEWRRSA-N 2 0 354.495 -0.083 20 0 FBADRP CO[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001119501785 843451326 /nfs/dbraw/zinc/45/13/26/843451326.db2.gz GDVMHHAEFCGIPS-MUJYYYPQSA-N 2 0 354.495 -0.083 20 0 FBADRP CO[C@H]1C[C@H](CNC(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC001119508624 843452436 /nfs/dbraw/zinc/45/24/36/843452436.db2.gz DNGRKBCEDNINJL-KLHDSHLOSA-N 2 0 354.495 -0.275 20 0 FBADRP C[NH2+]CCN(C(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1)C(C)C ZINC001119545455 843455725 /nfs/dbraw/zinc/45/57/25/843455725.db2.gz YEXFXSRWYRHIIR-UHFFFAOYSA-N 2 0 353.511 -0.319 20 0 FBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C1CN(C)CC[NH+](C)C1 ZINC001119563186 843457989 /nfs/dbraw/zinc/45/79/89/843457989.db2.gz CZSUTENEPYBNJC-INIZCTEOSA-N 2 0 353.511 -0.461 20 0 FBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C1CN(C)CC[NH+](C)C1 ZINC001119563195 843458087 /nfs/dbraw/zinc/45/80/87/843458087.db2.gz CZSUTENEPYBNJC-MRXNPFEDSA-N 2 0 353.511 -0.461 20 0 FBADRP CO[C@H](C)CN(C)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC001119611141 843462678 /nfs/dbraw/zinc/46/26/78/843462678.db2.gz NXKPUWCUZHNWLQ-BMFZPTHFSA-N 2 0 352.479 -0.093 20 0 FBADRP CO[C@@H](C)CN(C)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC001119611142 843462631 /nfs/dbraw/zinc/46/26/31/843462631.db2.gz NXKPUWCUZHNWLQ-CWRNSKLLSA-N 2 0 352.479 -0.093 20 0 FBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC4(CO[C@H](C[NH3+])C4)CC3)C[C@@H]21 ZINC001119635865 843465827 /nfs/dbraw/zinc/46/58/27/843465827.db2.gz DTQKNAOLBOBMQG-ILXRZTDVSA-N 2 0 350.463 -0.495 20 0 FBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC4(CO[C@@H](C[NH3+])C4)CC3)C[C@@H]21 ZINC001119635866 843465677 /nfs/dbraw/zinc/46/56/77/843465677.db2.gz DTQKNAOLBOBMQG-KFWWJZLASA-N 2 0 350.463 -0.495 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cn([C@@H]3CC[C@H]3O)nn2)C[C@H]1C[NH+](C)C ZINC001119660138 843467988 /nfs/dbraw/zinc/46/79/88/843467988.db2.gz LUSDTJDXIQZHCI-RRCSTGOVSA-N 2 0 350.467 -0.215 20 0 FBADRP CC[N@@H+]1CCC[C@H]1Cn1nnnc1N1CCN(CC[NH+](C)C)C(=O)C1 ZINC001119725681 843476505 /nfs/dbraw/zinc/47/65/05/843476505.db2.gz NLJFWEABSZJTDI-AWEZNQCLSA-N 2 0 350.471 -0.632 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1Cn1nnnc1N1CCN(CC[NH+](C)C)C(=O)C1 ZINC001119725682 843476761 /nfs/dbraw/zinc/47/67/61/843476761.db2.gz NLJFWEABSZJTDI-CQSZACIVSA-N 2 0 350.471 -0.632 20 0 FBADRP CCCS(=O)(=O)N1CCC([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)CC1 ZINC001120273868 843523852 /nfs/dbraw/zinc/52/38/52/843523852.db2.gz UGSBSXDHAOLQLU-INIZCTEOSA-N 2 0 362.540 -0.612 20 0 FBADRP CCCS(=O)(=O)N1CCC([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)CC1 ZINC001120273869 843523430 /nfs/dbraw/zinc/52/34/30/843523430.db2.gz UGSBSXDHAOLQLU-MRXNPFEDSA-N 2 0 362.540 -0.612 20 0 FBADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH2+]CCC23CCOCC3)C1 ZINC001120378672 843537407 /nfs/dbraw/zinc/53/74/07/843537407.db2.gz TXPTWVIPFGFJBE-HNNXBMFYSA-N 2 0 352.479 -0.232 20 0 FBADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[NH2+]CCC23CCOCC3)C1 ZINC001120378673 843537139 /nfs/dbraw/zinc/53/71/39/843537139.db2.gz TXPTWVIPFGFJBE-OAHLLOKOSA-N 2 0 352.479 -0.232 20 0 FBADRP CN(C(=O)C(=O)NC1CC[NH+](CC2CC2)CC1)C1(C[NH3+])CCOCC1 ZINC001120425096 843546189 /nfs/dbraw/zinc/54/61/89/843546189.db2.gz BRYOOVWVHVEDIX-UHFFFAOYSA-N 2 0 352.479 -0.057 20 0 FBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001120439326 843549305 /nfs/dbraw/zinc/54/93/05/843549305.db2.gz UNTXJRPYWIYSFY-CABCVRRESA-N 2 0 351.495 -0.804 20 0 FBADRP CN(C(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001120454484 843552758 /nfs/dbraw/zinc/55/27/58/843552758.db2.gz MUINGACPNHGPSI-DZKIICNBSA-N 2 0 351.495 -0.533 20 0 FBADRP CN(C(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001120454486 843553337 /nfs/dbraw/zinc/55/33/37/843553337.db2.gz MUINGACPNHGPSI-IIAWOOMASA-N 2 0 351.495 -0.533 20 0 FBADRP C[C@@H](CN1CCOCC1)NC(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001120480530 843557172 /nfs/dbraw/zinc/55/71/72/843557172.db2.gz WMLPAGHZUSKOBT-KBPBESRZSA-N 2 0 354.451 -0.308 20 0 FBADRP C[C@H](CN1CCOCC1)NC(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001120480531 843557238 /nfs/dbraw/zinc/55/72/38/843557238.db2.gz WMLPAGHZUSKOBT-KGLIPLIRSA-N 2 0 354.451 -0.308 20 0 FBADRP C[C@@H](CN1CCOCC1)NC(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001120480532 843557226 /nfs/dbraw/zinc/55/72/26/843557226.db2.gz WMLPAGHZUSKOBT-UONOGXRCSA-N 2 0 354.451 -0.308 20 0 FBADRP C[C@H](CN1CCOCC1)NC(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001120480533 843557190 /nfs/dbraw/zinc/55/71/90/843557190.db2.gz WMLPAGHZUSKOBT-ZIAGYGMSSA-N 2 0 354.451 -0.308 20 0 FBADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCC[C@@]12CC[NH2+]C2 ZINC001120511473 843562755 /nfs/dbraw/zinc/56/27/55/843562755.db2.gz NYJFEESNMQQADJ-AEFFLSMTSA-N 2 0 351.495 -0.070 20 0 FBADRP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCC[C@]12CC[NH2+]C2 ZINC001120511474 843562611 /nfs/dbraw/zinc/56/26/11/843562611.db2.gz NYJFEESNMQQADJ-FUHWJXTLSA-N 2 0 351.495 -0.070 20 0 FBADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCC[C@]12CC[NH2+]C2 ZINC001120511475 843562723 /nfs/dbraw/zinc/56/27/23/843562723.db2.gz NYJFEESNMQQADJ-SJLPKXTDSA-N 2 0 351.495 -0.070 20 0 FBADRP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCC[C@@]12CC[NH2+]C2 ZINC001120511476 843562926 /nfs/dbraw/zinc/56/29/26/843562926.db2.gz NYJFEESNMQQADJ-WMZOPIPTSA-N 2 0 351.495 -0.070 20 0 FBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H](Cc2ccc(Cl)cc2)C(N)=O)CC1 ZINC001120513659 843562885 /nfs/dbraw/zinc/56/28/85/843562885.db2.gz MMMJDNZVTADZJD-CVEARBPZSA-N 2 0 354.882 -0.066 20 0 FBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H](Cc2ccc(Cl)cc2)C(N)=O)CC1 ZINC001120513660 843562956 /nfs/dbraw/zinc/56/29/56/843562956.db2.gz MMMJDNZVTADZJD-HOTGVXAUSA-N 2 0 354.882 -0.066 20 0 FBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H](Cc2ccc(Cl)cc2)C(N)=O)CC1 ZINC001120513661 843562632 /nfs/dbraw/zinc/56/26/32/843562632.db2.gz MMMJDNZVTADZJD-HZPDHXFCSA-N 2 0 354.882 -0.066 20 0 FBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@H](Cc2ccc(Cl)cc2)C(N)=O)CC1 ZINC001120513662 843562501 /nfs/dbraw/zinc/56/25/01/843562501.db2.gz MMMJDNZVTADZJD-JKSUJKDBSA-N 2 0 354.882 -0.066 20 0 FBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@H]2CCCN(Cc3ncon3)C2)CC1 ZINC001120513674 843562744 /nfs/dbraw/zinc/56/27/44/843562744.db2.gz NBCYAFDYVHZWFY-CVEARBPZSA-N 2 0 352.483 -0.521 20 0 FBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@@H]2CCCN(Cc3ncon3)C2)CC1 ZINC001120513675 843562466 /nfs/dbraw/zinc/56/24/66/843562466.db2.gz NBCYAFDYVHZWFY-HOTGVXAUSA-N 2 0 352.483 -0.521 20 0 FBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@H]2CCCN(Cc3ncon3)C2)CC1 ZINC001120513676 843562902 /nfs/dbraw/zinc/56/29/02/843562902.db2.gz NBCYAFDYVHZWFY-HZPDHXFCSA-N 2 0 352.483 -0.521 20 0 FBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@@H]2CCCN(Cc3ncon3)C2)CC1 ZINC001120513677 843562835 /nfs/dbraw/zinc/56/28/35/843562835.db2.gz NBCYAFDYVHZWFY-JKSUJKDBSA-N 2 0 352.483 -0.521 20 0 FBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)NCCN2CCC([NH3+])CC2)CC1 ZINC001120516497 843564345 /nfs/dbraw/zinc/56/43/45/843564345.db2.gz RBCOERYBSZEMFK-INIZCTEOSA-N 2 0 354.543 -0.018 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)NCCN2CCC([NH3+])CC2)CC1 ZINC001120516498 843563971 /nfs/dbraw/zinc/56/39/71/843563971.db2.gz RBCOERYBSZEMFK-MRXNPFEDSA-N 2 0 354.543 -0.018 20 0 FBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 ZINC001120516798 843564462 /nfs/dbraw/zinc/56/44/62/843564462.db2.gz VFMAPLNNXKLUIZ-KBPBESRZSA-N 2 0 366.428 -0.015 20 0 FBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 ZINC001120516799 843564358 /nfs/dbraw/zinc/56/43/58/843564358.db2.gz VFMAPLNNXKLUIZ-KGLIPLIRSA-N 2 0 366.428 -0.015 20 0 FBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 ZINC001120516801 843564430 /nfs/dbraw/zinc/56/44/30/843564430.db2.gz VFMAPLNNXKLUIZ-UONOGXRCSA-N 2 0 366.428 -0.015 20 0 FBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 ZINC001120516803 843564383 /nfs/dbraw/zinc/56/43/83/843564383.db2.gz VFMAPLNNXKLUIZ-ZIAGYGMSSA-N 2 0 366.428 -0.015 20 0 FBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc3O2)CC1 ZINC001120519346 843564399 /nfs/dbraw/zinc/56/43/99/843564399.db2.gz IGDOSWLUHQOKES-CABCVRRESA-N 2 0 369.487 -0.581 20 0 FBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc3O2)CC1 ZINC001120519347 843564225 /nfs/dbraw/zinc/56/42/25/843564225.db2.gz IGDOSWLUHQOKES-GJZGRUSLSA-N 2 0 369.487 -0.581 20 0 FBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc3O2)CC1 ZINC001120519348 843564114 /nfs/dbraw/zinc/56/41/14/843564114.db2.gz IGDOSWLUHQOKES-HUUCEWRRSA-N 2 0 369.487 -0.581 20 0 FBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc3O2)CC1 ZINC001120519349 843563547 /nfs/dbraw/zinc/56/35/47/843563547.db2.gz IGDOSWLUHQOKES-LSDHHAIUSA-N 2 0 369.487 -0.581 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)C[C@H]1[NH3+] ZINC001120519804 843564419 /nfs/dbraw/zinc/56/44/19/843564419.db2.gz DQUMHBLATPRWKJ-CZUORRHYSA-N 2 0 351.495 -0.533 20 0 FBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC001120519923 843564184 /nfs/dbraw/zinc/56/41/84/843564184.db2.gz GMJWSOVYVKVBHL-CZUORRHYSA-N 2 0 351.495 -0.615 20 0 FBADRP [NH3+][C@@H]1CC[C@H](CNC(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC001120521114 843564535 /nfs/dbraw/zinc/56/45/35/843564535.db2.gz ZOADGQDXRWCOKI-RRFJBIMHSA-N 2 0 352.479 -0.153 20 0 FBADRP [NH3+][C@@H]1CC[C@H](CNC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC001120521115 843564255 /nfs/dbraw/zinc/56/42/55/843564255.db2.gz ZOADGQDXRWCOKI-SOUVJXGZSA-N 2 0 352.479 -0.153 20 0 FBADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC001120530704 843565641 /nfs/dbraw/zinc/56/56/41/843565641.db2.gz JXOJLFKKQSLXDC-CRAIPNDOSA-N 2 0 350.463 -0.290 20 0 FBADRP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC001120530705 843565021 /nfs/dbraw/zinc/56/50/21/843565021.db2.gz JXOJLFKKQSLXDC-MAUKXSAKSA-N 2 0 350.463 -0.290 20 0 FBADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC001120530706 843564992 /nfs/dbraw/zinc/56/49/92/843564992.db2.gz JXOJLFKKQSLXDC-QAPCUYQASA-N 2 0 350.463 -0.290 20 0 FBADRP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC001120530707 843565362 /nfs/dbraw/zinc/56/53/62/843565362.db2.gz JXOJLFKKQSLXDC-YJBOKZPZSA-N 2 0 350.463 -0.290 20 0 FBADRP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001120530787 843565629 /nfs/dbraw/zinc/56/56/29/843565629.db2.gz LMQFLSMDSPAFGG-LZWOXQAQSA-N 2 0 350.463 -0.576 20 0 FBADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001120530788 843565574 /nfs/dbraw/zinc/56/55/74/843565574.db2.gz LMQFLSMDSPAFGG-SQWLQELKSA-N 2 0 350.463 -0.576 20 0 FBADRP CC[NH+](CC)C1CCN(C(=O)C(=O)NCCN2CCC([NH3+])CC2)CC1 ZINC001120535040 843566096 /nfs/dbraw/zinc/56/60/96/843566096.db2.gz LOBKXYIZIPGIOW-UHFFFAOYSA-N 2 0 353.511 -0.142 20 0 FBADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N1CCNCC[NH2+]CC1 ZINC001120543611 843567141 /nfs/dbraw/zinc/56/71/41/843567141.db2.gz CUMGMHZHKGXKLZ-GFCCVEGCSA-N 2 0 352.405 -0.973 20 0 FBADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N1CCNCC[NH2+]CC1 ZINC001120543612 843566983 /nfs/dbraw/zinc/56/69/83/843566983.db2.gz CUMGMHZHKGXKLZ-LBPRGKRZSA-N 2 0 352.405 -0.973 20 0 FBADRP CN(C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C1(C[NH3+])CCOCC1 ZINC001120543691 843567309 /nfs/dbraw/zinc/56/73/09/843567309.db2.gz FYKDHORJGNVSOM-GFCCVEGCSA-N 2 0 367.416 -0.028 20 0 FBADRP CN(C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C1(C[NH3+])CCOCC1 ZINC001120543692 843567568 /nfs/dbraw/zinc/56/75/68/843567568.db2.gz FYKDHORJGNVSOM-LBPRGKRZSA-N 2 0 367.416 -0.028 20 0 FBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001120546094 843567160 /nfs/dbraw/zinc/56/71/60/843567160.db2.gz OVJTXMFGQRAEDT-BBWFWOEESA-N 3 0 351.495 -0.025 20 0 FBADRP O=C(NC[C@H]1C[NH2+]CCCO1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001120546095 843567074 /nfs/dbraw/zinc/56/70/74/843567074.db2.gz OVJTXMFGQRAEDT-IXDOHACOSA-N 3 0 351.495 -0.025 20 0 FBADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CC[NH2+]CCC23CCOCC3)CC1=O ZINC001120556372 843568046 /nfs/dbraw/zinc/56/80/46/843568046.db2.gz XKTFJDQRELXWCK-HNNXBMFYSA-N 2 0 352.479 -0.232 20 0 FBADRP C[NH+](C)CCN1C[C@H](C(=O)N2CC[NH2+]CCC23CCOCC3)CC1=O ZINC001120556373 843568111 /nfs/dbraw/zinc/56/81/11/843568111.db2.gz XKTFJDQRELXWCK-OAHLLOKOSA-N 2 0 352.479 -0.232 20 0 FBADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)NCCN3CCC([NH3+])CC3)C2)CC1 ZINC001120598574 843569488 /nfs/dbraw/zinc/56/94/88/843569488.db2.gz DLAYMTXHLHMVFC-INIZCTEOSA-N 2 0 352.527 -0.123 20 0 FBADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)NCCN3CCC([NH3+])CC3)C2)CC1 ZINC001120598575 843569011 /nfs/dbraw/zinc/56/90/11/843569011.db2.gz DLAYMTXHLHMVFC-MRXNPFEDSA-N 2 0 352.527 -0.123 20 0 FBADRP [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001120599287 843569926 /nfs/dbraw/zinc/56/99/26/843569926.db2.gz JRYFRHVWEDWPGU-JFIYKMOQSA-N 2 0 351.495 -0.084 20 0 FBADRP [NH3+]C[C@]12CC[C@H]1CCN2C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001120599288 843569756 /nfs/dbraw/zinc/56/97/56/843569756.db2.gz JRYFRHVWEDWPGU-LZLYRXPVSA-N 2 0 351.495 -0.084 20 0 FBADRP [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001120599289 843569141 /nfs/dbraw/zinc/56/91/41/843569141.db2.gz JRYFRHVWEDWPGU-SOLBZPMBSA-N 2 0 351.495 -0.084 20 0 FBADRP [NH3+]C[C@]12CC[C@H]1CCN2C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001120599290 843569253 /nfs/dbraw/zinc/56/92/53/843569253.db2.gz JRYFRHVWEDWPGU-XYJFISCASA-N 2 0 351.495 -0.084 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)C1 ZINC001120602404 843571077 /nfs/dbraw/zinc/57/10/77/843571077.db2.gz FIZNVOSCVZWAPD-KBPBESRZSA-N 2 0 354.451 -0.308 20 0 FBADRP COCC[N@@H+]1CC[C@@H](NC(=O)NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)C1 ZINC001120602405 843571018 /nfs/dbraw/zinc/57/10/18/843571018.db2.gz FIZNVOSCVZWAPD-KGLIPLIRSA-N 2 0 354.451 -0.308 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)C1 ZINC001120602406 843571153 /nfs/dbraw/zinc/57/11/53/843571153.db2.gz FIZNVOSCVZWAPD-UONOGXRCSA-N 2 0 354.451 -0.308 20 0 FBADRP COCC[N@@H+]1CC[C@@H](NC(=O)NC[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)C1 ZINC001120602407 843570954 /nfs/dbraw/zinc/57/09/54/843570954.db2.gz FIZNVOSCVZWAPD-ZIAGYGMSSA-N 2 0 354.451 -0.308 20 0 FBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@@H]2CCCC[C@H]2NS(C)(=O)=O)CC1 ZINC001120604892 843570612 /nfs/dbraw/zinc/57/06/12/843570612.db2.gz XUZCITIOFVVRAL-ARFHVFGLSA-N 2 0 362.540 -0.708 20 0 FBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@H]2CCCC[C@H]2NS(C)(=O)=O)CC1 ZINC001120604893 843570800 /nfs/dbraw/zinc/57/08/00/843570800.db2.gz XUZCITIOFVVRAL-BZUAXINKSA-N 2 0 362.540 -0.708 20 0 FBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@H]2CCCC[C@@H]2NS(C)(=O)=O)CC1 ZINC001120604895 843570976 /nfs/dbraw/zinc/57/09/76/843570976.db2.gz XUZCITIOFVVRAL-OAGGEKHMSA-N 2 0 362.540 -0.708 20 0 FBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)CC1 ZINC001120604896 843570763 /nfs/dbraw/zinc/57/07/63/843570763.db2.gz XUZCITIOFVVRAL-XHSDSOJGSA-N 2 0 362.540 -0.708 20 0 FBADRP [NH3+]C1CCN(CCNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC001120630645 843571757 /nfs/dbraw/zinc/57/17/57/843571757.db2.gz CEIWGNXIKGLIDC-CYBMUJFWSA-N 2 0 366.432 -0.455 20 0 FBADRP [NH3+]C1CCN(CCNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC001120630646 843571575 /nfs/dbraw/zinc/57/15/75/843571575.db2.gz CEIWGNXIKGLIDC-ZDUSSCGKSA-N 2 0 366.432 -0.455 20 0 FBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001120641810 843572142 /nfs/dbraw/zinc/57/21/42/843572142.db2.gz IGWORGVTLGUAQC-IKGGRYGDSA-N 2 0 353.511 -0.062 20 0 FBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001120641811 843572365 /nfs/dbraw/zinc/57/23/65/843572365.db2.gz IGWORGVTLGUAQC-IXDOHACOSA-N 2 0 353.511 -0.062 20 0 FBADRP O=C(COCC(=O)N[C@H]1C[NH+]2CCC1CC2)N[C@H]1C[NH+]2CCC1CC2 ZINC001120687616 843574128 /nfs/dbraw/zinc/57/41/28/843574128.db2.gz REFMPZUGKVUMLF-HOTGVXAUSA-N 2 0 350.463 -0.576 20 0 FBADRP O=C(COCC(=O)N[C@@H]1C[NH+]2CCC1CC2)N[C@@H]1C[NH+]2CCC1CC2 ZINC001120687617 843573996 /nfs/dbraw/zinc/57/39/96/843573996.db2.gz REFMPZUGKVUMLF-HZPDHXFCSA-N 2 0 350.463 -0.576 20 0 FBADRP O=C(COCC(=O)N[C@@H]1C[NH+]2CCC1CC2)N[C@H]1C[NH+]2CCC1CC2 ZINC001120687618 843574251 /nfs/dbraw/zinc/57/42/51/843574251.db2.gz REFMPZUGKVUMLF-IYBDPMFKSA-N 2 0 350.463 -0.576 20 0 FBADRP CC[C@H](O)Cn1cc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)nn1 ZINC001120768008 843576490 /nfs/dbraw/zinc/57/64/90/843576490.db2.gz RDEHYZQYBXZTOB-KFWWJZLASA-N 2 0 352.483 -0.140 20 0 FBADRP CC[C@@H](O)Cn1cc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)nn1 ZINC001120768009 843576354 /nfs/dbraw/zinc/57/63/54/843576354.db2.gz RDEHYZQYBXZTOB-RBSFLKMASA-N 2 0 352.483 -0.140 20 0 FBADRP C[C@@H]1[C@H](C(=O)NC2CC3(C2)CC([NH2+]CC(=O)NC(N)=O)C3)CC[N@@H+]1C ZINC001121133573 843580505 /nfs/dbraw/zinc/58/05/05/843580505.db2.gz DASVAUCLWGYCCO-KWKVPJDUSA-N 2 0 351.451 -0.462 20 0 FBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1[NH2+]CC12CCOCC2 ZINC001121826760 843592234 /nfs/dbraw/zinc/59/22/34/843592234.db2.gz NKLBMEDKWGZNDV-CABCVRRESA-N 2 0 352.479 -0.186 20 0 FBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1[NH2+]CC12CCOCC2 ZINC001121826762 843594151 /nfs/dbraw/zinc/59/41/51/843594151.db2.gz NKLBMEDKWGZNDV-GJZGRUSLSA-N 2 0 352.479 -0.186 20 0 FBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1[NH2+]CC12CCOCC2 ZINC001121826763 843593889 /nfs/dbraw/zinc/59/38/89/843593889.db2.gz NKLBMEDKWGZNDV-HUUCEWRRSA-N 2 0 352.479 -0.186 20 0 FBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1[NH2+]CC12CCOCC2 ZINC001121826764 843593500 /nfs/dbraw/zinc/59/35/00/843593500.db2.gz NKLBMEDKWGZNDV-LSDHHAIUSA-N 2 0 352.479 -0.186 20 0 FBADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)[C@@H]2[NH2+]CC23CCOCC3)CC1 ZINC001121912502 843595952 /nfs/dbraw/zinc/59/59/52/843595952.db2.gz VDKWFMUTFOWXDA-INIZCTEOSA-N 2 0 350.463 -0.478 20 0 FBADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)[C@H]2[NH2+]CC23CCOCC3)CC1 ZINC001121912503 843595965 /nfs/dbraw/zinc/59/59/65/843595965.db2.gz VDKWFMUTFOWXDA-MRXNPFEDSA-N 2 0 350.463 -0.478 20 0 FBADRP C[NH+](C)CCN1CCC(CNC(=O)[C@]23C[NH2+]C[C@H]2CS(=O)(=O)C3)CC1 ZINC001121913524 843595718 /nfs/dbraw/zinc/59/57/18/843595718.db2.gz FOKVBNYRBOJZJM-RDJZCZTQSA-N 2 0 372.535 -0.990 20 0 FBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)NCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC001121920701 843597374 /nfs/dbraw/zinc/59/73/74/843597374.db2.gz KJCXBHJRKMAKKP-BBRMVZONSA-N 2 0 350.463 -0.189 20 0 FBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)NCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC001121920703 843597251 /nfs/dbraw/zinc/59/72/51/843597251.db2.gz KJCXBHJRKMAKKP-CJNGLKHVSA-N 2 0 350.463 -0.189 20 0 FBADRP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)NCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC001121920705 843597422 /nfs/dbraw/zinc/59/74/22/843597422.db2.gz KJCXBHJRKMAKKP-CZUORRHYSA-N 2 0 350.463 -0.189 20 0 FBADRP C[NH2+]C[C@@H](O)[C@H](C)C(=O)NCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC001121920707 843597149 /nfs/dbraw/zinc/59/71/49/843597149.db2.gz KJCXBHJRKMAKKP-XJKSGUPXSA-N 2 0 350.463 -0.189 20 0 FBADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001121922872 843597191 /nfs/dbraw/zinc/59/71/91/843597191.db2.gz DEEPKBXPHFXGAA-NUJGCVRESA-N 2 0 352.479 -0.865 20 0 FBADRP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001121922874 843597401 /nfs/dbraw/zinc/59/74/01/843597401.db2.gz DEEPKBXPHFXGAA-RYRKJORJSA-N 2 0 352.479 -0.865 20 0 FBADRP [NH3+]CCN1CCC[C@H](C(=O)N2CC[NH+](CC3CCOCC3)CC2)C1=O ZINC001121923415 843597286 /nfs/dbraw/zinc/59/72/86/843597286.db2.gz KKXZITGAEIRMAA-INIZCTEOSA-N 2 0 352.479 -0.246 20 0 FBADRP [NH3+]CCN1CCC[C@@H](C(=O)N2CC[NH+](CC3CCOCC3)CC2)C1=O ZINC001121923417 843596603 /nfs/dbraw/zinc/59/66/03/843596603.db2.gz KKXZITGAEIRMAA-MRXNPFEDSA-N 2 0 352.479 -0.246 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)CC1 ZINC001121927299 843597022 /nfs/dbraw/zinc/59/70/22/843597022.db2.gz DNJXSQRHQYJTFD-CABCVRRESA-N 2 0 351.495 -0.804 20 0 FBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)CC1 ZINC001121927300 843597332 /nfs/dbraw/zinc/59/73/32/843597332.db2.gz DNJXSQRHQYJTFD-GJZGRUSLSA-N 2 0 351.495 -0.804 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)CC1 ZINC001121927301 843597304 /nfs/dbraw/zinc/59/73/04/843597304.db2.gz DNJXSQRHQYJTFD-HUUCEWRRSA-N 2 0 351.495 -0.804 20 0 FBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)CC1 ZINC001121927302 843596703 /nfs/dbraw/zinc/59/67/03/843596703.db2.gz DNJXSQRHQYJTFD-LSDHHAIUSA-N 2 0 351.495 -0.804 20 0 FBADRP CCN1CC[NH+](CCCCNC(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)CC1 ZINC001121928851 843596677 /nfs/dbraw/zinc/59/66/77/843596677.db2.gz VEELSERTCQIVCE-HNNXBMFYSA-N 2 0 351.495 -0.659 20 0 FBADRP CCN1CC[NH+](CCCCNC(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)CC1 ZINC001121928852 843596781 /nfs/dbraw/zinc/59/67/81/843596781.db2.gz VEELSERTCQIVCE-OAHLLOKOSA-N 2 0 351.495 -0.659 20 0 FBADRP [NH3+]CCN(Cc1ccccc1)C(=O)C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@H]12 ZINC001121932277 843596861 /nfs/dbraw/zinc/59/68/61/843596861.db2.gz WSAZPHMMSPTBMR-BZUAXINKSA-N 2 0 351.472 -0.003 20 0 FBADRP [NH3+]CCN(Cc1ccccc1)C(=O)C[C@@H]1CS(=O)(=O)[C@H]2C[NH2+]C[C@@H]21 ZINC001121932278 843597235 /nfs/dbraw/zinc/59/72/35/843597235.db2.gz WSAZPHMMSPTBMR-OAGGEKHMSA-N 2 0 351.472 -0.003 20 0 FBADRP [NH3+]CCN(Cc1ccccc1)C(=O)C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@@H]12 ZINC001121932471 843597244 /nfs/dbraw/zinc/59/72/44/843597244.db2.gz WSAZPHMMSPTBMR-OWCLPIDISA-N 2 0 351.472 -0.003 20 0 FBADRP [NH3+]CCN(Cc1ccccc1)C(=O)C[C@@H]1CS(=O)(=O)[C@H]2C[NH2+]C[C@H]21 ZINC001121932473 843597153 /nfs/dbraw/zinc/59/71/53/843597153.db2.gz WSAZPHMMSPTBMR-PMPSAXMXSA-N 2 0 351.472 -0.003 20 0 FBADRP [NH3+]CCN1CCC[C@@H](C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C1=O ZINC001121982960 843599320 /nfs/dbraw/zinc/59/93/20/843599320.db2.gz HTBREISHQKPSPJ-CVEARBPZSA-N 2 0 352.479 -0.057 20 0 FBADRP [NH3+]CCN1CCC[C@@H](C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)C1=O ZINC001121983237 843598891 /nfs/dbraw/zinc/59/88/91/843598891.db2.gz HTBREISHQKPSPJ-HOTGVXAUSA-N 2 0 352.479 -0.057 20 0 FBADRP [NH3+]CCN1CCC[C@H](C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C1=O ZINC001121983238 843599484 /nfs/dbraw/zinc/59/94/84/843599484.db2.gz HTBREISHQKPSPJ-HZPDHXFCSA-N 2 0 352.479 -0.057 20 0 FBADRP [NH3+]CCN1CCC[C@H](C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)C1=O ZINC001121983239 843599441 /nfs/dbraw/zinc/59/94/41/843599441.db2.gz HTBREISHQKPSPJ-JKSUJKDBSA-N 2 0 352.479 -0.057 20 0 FBADRP [NH3+]CCN1CCC[C@@H](C(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1=O ZINC001121991752 843600280 /nfs/dbraw/zinc/60/02/80/843600280.db2.gz ZTXHWWLJOAKLMI-MRXNPFEDSA-N 2 0 352.479 -0.246 20 0 FBADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CCOC3)CC1 ZINC001121997383 843600450 /nfs/dbraw/zinc/60/04/50/843600450.db2.gz UTQHMSAFWALIMP-QAPCUYQASA-N 2 0 350.463 -0.621 20 0 FBADRP O=C(NCC1([NH+]2CCCC2)CCOCC1)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2 ZINC001121997928 843600504 /nfs/dbraw/zinc/60/05/04/843600504.db2.gz LCIHWYUAVKJZEM-YOEHRIQHSA-N 2 0 371.503 -0.618 20 0 FBADRP COC1CC[NH+](C(C)(C)CNC(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)CC1 ZINC001121998283 843599911 /nfs/dbraw/zinc/59/99/11/843599911.db2.gz VGRXGFUQQOOEKE-CYBMUJFWSA-N 2 0 352.479 -0.188 20 0 FBADRP COC1CC[NH+](C(C)(C)CNC(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)CC1 ZINC001121998284 843600161 /nfs/dbraw/zinc/60/01/61/843600161.db2.gz VGRXGFUQQOOEKE-ZDUSSCGKSA-N 2 0 352.479 -0.188 20 0 FBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@]23C[NH2+]C[C@H]2CCOC3)CC1 ZINC001122005358 843600221 /nfs/dbraw/zinc/60/02/21/843600221.db2.gz YRZOLNQGOLCRAI-KDOFPFPSSA-N 2 0 352.479 -0.329 20 0 FBADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001122005389 843600517 /nfs/dbraw/zinc/60/05/17/843600517.db2.gz ZTYOYHYOLNDDFQ-PBHICJAKSA-N 3 0 353.511 -0.239 20 0 FBADRP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001122005390 843600091 /nfs/dbraw/zinc/60/00/91/843600091.db2.gz ZTYOYHYOLNDDFQ-RHSMWYFYSA-N 3 0 353.511 -0.239 20 0 FBADRP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001122005391 843600297 /nfs/dbraw/zinc/60/02/97/843600297.db2.gz ZTYOYHYOLNDDFQ-WMLDXEAASA-N 3 0 353.511 -0.239 20 0 FBADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001122005392 843600499 /nfs/dbraw/zinc/60/04/99/843600499.db2.gz ZTYOYHYOLNDDFQ-YOEHRIQHSA-N 3 0 353.511 -0.239 20 0 FBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)[C@H]3CCCN(CC[NH3+])C3=O)CC2)C1 ZINC001122009072 843600455 /nfs/dbraw/zinc/60/04/55/843600455.db2.gz BANMKNQSNRAPPW-CVEARBPZSA-N 2 0 351.495 -0.578 20 0 FBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@H]3CCCN(CC[NH3+])C3=O)CC2)C1 ZINC001122009073 843600169 /nfs/dbraw/zinc/60/01/69/843600169.db2.gz BANMKNQSNRAPPW-HOTGVXAUSA-N 2 0 351.495 -0.578 20 0 FBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)[C@@H]3CCCN(CC[NH3+])C3=O)CC2)C1 ZINC001122009074 843600043 /nfs/dbraw/zinc/60/00/43/843600043.db2.gz BANMKNQSNRAPPW-HZPDHXFCSA-N 2 0 351.495 -0.578 20 0 FBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@@H]3CCCN(CC[NH3+])C3=O)CC2)C1 ZINC001122009075 843599889 /nfs/dbraw/zinc/59/98/89/843599889.db2.gz BANMKNQSNRAPPW-JKSUJKDBSA-N 2 0 351.495 -0.578 20 0 FBADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C1=NOC2(C1)CC[NH2+]CC2 ZINC001122018098 843601053 /nfs/dbraw/zinc/60/10/53/843601053.db2.gz DKPNPIBVDOWAOF-GFCCVEGCSA-N 2 0 363.384 -0.163 20 0 FBADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C1=NOC2(C1)CC[NH2+]CC2 ZINC001122018099 843601482 /nfs/dbraw/zinc/60/14/82/843601482.db2.gz DKPNPIBVDOWAOF-LBPRGKRZSA-N 2 0 363.384 -0.163 20 0 FBADRP CN(CCC[NH+](C)C)CCNC(=O)C[C@@H]1CS(=O)(=O)[C@H]2C[NH2+]C[C@H]21 ZINC001122062908 843602033 /nfs/dbraw/zinc/60/20/33/843602033.db2.gz QJPQDHMSJZPYDX-ILXRZTDVSA-N 2 0 360.524 -0.991 20 0 FBADRP CN(CCC[NH+](C)C)CCNC(=O)C[C@@H]1CS(=O)(=O)[C@H]2C[NH2+]C[C@@H]21 ZINC001122062909 843602448 /nfs/dbraw/zinc/60/24/48/843602448.db2.gz QJPQDHMSJZPYDX-KFWWJZLASA-N 2 0 360.524 -0.991 20 0 FBADRP CN(CCC[NH+](C)C)CCNC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@@H]12 ZINC001122062910 843602647 /nfs/dbraw/zinc/60/26/47/843602647.db2.gz QJPQDHMSJZPYDX-QLFBSQMISA-N 2 0 360.524 -0.991 20 0 FBADRP CN(CCC[NH+](C)C)CCNC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@H]12 ZINC001122062911 843602384 /nfs/dbraw/zinc/60/23/84/843602384.db2.gz QJPQDHMSJZPYDX-RBSFLKMASA-N 2 0 360.524 -0.991 20 0 FBADRP O=C(Nc1ccc([C@H]2C[NH2+]CCO2)cc1)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2 ZINC001122069906 843603295 /nfs/dbraw/zinc/60/32/95/843603295.db2.gz PTFFQNXJQURIJY-LXZKKBNFSA-N 2 0 365.455 -0.080 20 0 FBADRP O=C(Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2 ZINC001122069907 843603201 /nfs/dbraw/zinc/60/32/01/843603201.db2.gz PTFFQNXJQURIJY-QRTARXTBSA-N 2 0 365.455 -0.080 20 0 FBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@H]2C[N@@H+]3CCN2C[C@H]3C)CC1 ZINC001122077783 843603639 /nfs/dbraw/zinc/60/36/39/843603639.db2.gz QXMZRNFAEGYVNB-GDBMZVCRSA-N 2 0 351.495 -0.519 20 0 FBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@H]2C[N@@H+]3CCN2C[C@@H]3C)CC1 ZINC001122077788 843603477 /nfs/dbraw/zinc/60/34/77/843603477.db2.gz QXMZRNFAEGYVNB-GOEBONIOSA-N 2 0 351.495 -0.519 20 0 FBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@@H]2C[N@@H+]3CCN2C[C@@H]3C)CC1 ZINC001122077789 843603652 /nfs/dbraw/zinc/60/36/52/843603652.db2.gz QXMZRNFAEGYVNB-HOCLYGCPSA-N 2 0 351.495 -0.519 20 0 FBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@@H]2C[N@@H+]3CCN2C[C@H]3C)CC1 ZINC001122077791 843603692 /nfs/dbraw/zinc/60/36/92/843603692.db2.gz QXMZRNFAEGYVNB-ZBFHGGJFSA-N 2 0 351.495 -0.519 20 0 FBADRP C[C@H]([NH3+])C1(C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CCOCC1 ZINC001122087163 843603169 /nfs/dbraw/zinc/60/31/69/843603169.db2.gz MFBUZNGYYHQCRN-AWEZNQCLSA-N 2 0 353.467 -0.700 20 0 FBADRP C[C@@H]([NH3+])C1(C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CCOCC1 ZINC001122087166 843603524 /nfs/dbraw/zinc/60/35/24/843603524.db2.gz MFBUZNGYYHQCRN-CQSZACIVSA-N 2 0 353.467 -0.700 20 0 FBADRP C[NH+]1CCC(OCC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CC1 ZINC001122088329 843603721 /nfs/dbraw/zinc/60/37/21/843603721.db2.gz UGAPOJRRTBCUCD-UHFFFAOYSA-N 2 0 353.467 -0.733 20 0 FBADRP COCCN(CC1CC[NH+](C)CC1)C(=O)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001122102722 843604237 /nfs/dbraw/zinc/60/42/37/843604237.db2.gz BVEPHMUSAOGCRN-HNNXBMFYSA-N 2 0 352.479 -0.377 20 0 FBADRP COCCN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001122102723 843604275 /nfs/dbraw/zinc/60/42/75/843604275.db2.gz BVEPHMUSAOGCRN-OAHLLOKOSA-N 2 0 352.479 -0.377 20 0 FBADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)[C@@H]3[NH2+]CC34CCOCC4)CC2)C1=O ZINC001122102921 843604507 /nfs/dbraw/zinc/60/45/07/843604507.db2.gz CGDWVWWTXILRBX-CABCVRRESA-N 2 0 350.463 -0.434 20 0 FBADRP CN1CC[C@H]([NH+]2CCC(NC(=O)[C@@H]3[NH2+]CC34CCOCC4)CC2)C1=O ZINC001122102922 843604511 /nfs/dbraw/zinc/60/45/11/843604511.db2.gz CGDWVWWTXILRBX-GJZGRUSLSA-N 2 0 350.463 -0.434 20 0 FBADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)[C@H]3[NH2+]CC34CCOCC4)CC2)C1=O ZINC001122102923 843604497 /nfs/dbraw/zinc/60/44/97/843604497.db2.gz CGDWVWWTXILRBX-HUUCEWRRSA-N 2 0 350.463 -0.434 20 0 FBADRP CN1CC[C@H]([NH+]2CCC(NC(=O)[C@H]3[NH2+]CC34CCOCC4)CC2)C1=O ZINC001122102924 843604220 /nfs/dbraw/zinc/60/42/20/843604220.db2.gz CGDWVWWTXILRBX-LSDHHAIUSA-N 2 0 350.463 -0.434 20 0 FBADRP C[NH+]1CCC2(CCN(C(=O)[C@]34C[NH2+]C[C@H]3CS(=O)(=O)C4)CC2)CC1 ZINC001122103082 843604389 /nfs/dbraw/zinc/60/43/89/843604389.db2.gz ULGDFKZWEVXSLM-YOEHRIQHSA-N 2 0 355.504 -0.045 20 0 FBADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2 ZINC001122137763 843604882 /nfs/dbraw/zinc/60/48/82/843604882.db2.gz YGJVWCLSIPWUEI-KEYYUXOJSA-N 2 0 364.471 -0.247 20 0 FBADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2 ZINC001122137765 843605497 /nfs/dbraw/zinc/60/54/97/843605497.db2.gz YGJVWCLSIPWUEI-ZQIUZPCESA-N 2 0 364.471 -0.247 20 0 FBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1CC[NH2+][C@H]([C@H]2CCCO2)C1 ZINC001122165296 843606224 /nfs/dbraw/zinc/60/62/24/843606224.db2.gz ASSBPEIDJLQTCR-FXUDXRNXSA-N 2 0 352.479 -0.010 20 0 FBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1CC[NH2+][C@@H]([C@H]2CCCO2)C1 ZINC001122165297 843606705 /nfs/dbraw/zinc/60/67/05/843606705.db2.gz ASSBPEIDJLQTCR-LVQVYYBASA-N 2 0 352.479 -0.010 20 0 FBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1CC[NH2+][C@H]([C@@H]2CCCO2)C1 ZINC001122165298 843606444 /nfs/dbraw/zinc/60/64/44/843606444.db2.gz ASSBPEIDJLQTCR-UGUYLWEFSA-N 2 0 352.479 -0.010 20 0 FBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1CC[NH2+][C@@H]([C@@H]2CCCO2)C1 ZINC001122165299 843606158 /nfs/dbraw/zinc/60/61/58/843606158.db2.gz ASSBPEIDJLQTCR-WCVJEAGWSA-N 2 0 352.479 -0.010 20 0 FBADRP O=C(C[NH2+]CC1CC1)N1CCNCCN(C(=O)C[NH2+]CC2CC2)CC1 ZINC001122180087 843606666 /nfs/dbraw/zinc/60/66/66/843606666.db2.gz NPDSAZQYTDUJOQ-UHFFFAOYSA-N 2 0 351.495 -0.754 20 0 FBADRP CS(=O)(=O)C1(C(=O)NCCCCCN2CC[NH2+]CC2)CC[NH2+]CC1 ZINC001122194288 843607599 /nfs/dbraw/zinc/60/75/99/843607599.db2.gz BLKVTZDZTQBYKB-UHFFFAOYSA-N 2 0 360.524 -0.655 20 0 FBADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCC3(CO[C@H](C[NH3+])C3)CC2)CC1=O ZINC001122202987 843607754 /nfs/dbraw/zinc/60/77/54/843607754.db2.gz PTUGPDJNYNEISI-CABCVRRESA-N 2 0 352.479 -0.247 20 0 FBADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CCC3(CO[C@H](C[NH3+])C3)CC2)CC1=O ZINC001122202988 843607317 /nfs/dbraw/zinc/60/73/17/843607317.db2.gz PTUGPDJNYNEISI-GJZGRUSLSA-N 2 0 352.479 -0.247 20 0 FBADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)CC1=O ZINC001122202989 843607286 /nfs/dbraw/zinc/60/72/86/843607286.db2.gz PTUGPDJNYNEISI-HUUCEWRRSA-N 2 0 352.479 -0.247 20 0 FBADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)CC1=O ZINC001122202990 843607467 /nfs/dbraw/zinc/60/74/67/843607467.db2.gz PTUGPDJNYNEISI-LSDHHAIUSA-N 2 0 352.479 -0.247 20 0 FBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001122217883 843608583 /nfs/dbraw/zinc/60/85/83/843608583.db2.gz QYUIBITWQYLUIJ-HUUCEWRRSA-N 2 0 356.467 -0.820 20 0 FBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001122217884 843608492 /nfs/dbraw/zinc/60/84/92/843608492.db2.gz QYUIBITWQYLUIJ-LSDHHAIUSA-N 2 0 356.467 -0.820 20 0 FBADRP O=C(C[C@@]1(O)CCC[NH2+]C1)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001122218748 843608591 /nfs/dbraw/zinc/60/85/91/843608591.db2.gz WKHFSTKEUGCNPT-AEFFLSMTSA-N 2 0 354.495 -0.596 20 0 FBADRP O=C(C[C@]1(O)CCC[NH2+]C1)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001122218788 843608469 /nfs/dbraw/zinc/60/84/69/843608469.db2.gz WKHFSTKEUGCNPT-FUHWJXTLSA-N 2 0 354.495 -0.596 20 0 FBADRP O=C(C[C@]1(O)CCC[NH2+]C1)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001122218789 843608304 /nfs/dbraw/zinc/60/83/04/843608304.db2.gz WKHFSTKEUGCNPT-SJLPKXTDSA-N 2 0 354.495 -0.596 20 0 FBADRP O=C(C[C@@]1(O)CCC[NH2+]C1)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001122218790 843608173 /nfs/dbraw/zinc/60/81/73/843608173.db2.gz WKHFSTKEUGCNPT-WMZOPIPTSA-N 2 0 354.495 -0.596 20 0 FBADRP CN(C)c1cc[nH+]c(CNC(=O)C[C@@H]2CS(=O)(=O)[C@@H]3C[NH2+]C[C@@H]23)c1 ZINC001122236431 843609290 /nfs/dbraw/zinc/60/92/90/843609290.db2.gz GJKGNOUQPDITQG-BYCMXARLSA-N 2 0 352.460 -0.214 20 0 FBADRP CN(C)c1cc[nH+]c(CNC(=O)C[C@@H]2CS(=O)(=O)[C@H]3C[NH2+]C[C@@H]32)c1 ZINC001122236434 843609096 /nfs/dbraw/zinc/60/90/96/843609096.db2.gz GJKGNOUQPDITQG-DFBGVHRSSA-N 2 0 352.460 -0.214 20 0 FBADRP CN(C)c1cc[nH+]c(CNC(=O)C[C@@H]2CS(=O)(=O)[C@@H]3C[NH2+]C[C@H]23)c1 ZINC001122236437 843609253 /nfs/dbraw/zinc/60/92/53/843609253.db2.gz GJKGNOUQPDITQG-KCPJHIHWSA-N 2 0 352.460 -0.214 20 0 FBADRP CN(C)c1cc[nH+]c(CNC(=O)C[C@@H]2CS(=O)(=O)[C@H]3C[NH2+]C[C@H]32)c1 ZINC001122236440 843609616 /nfs/dbraw/zinc/60/96/16/843609616.db2.gz GJKGNOUQPDITQG-UGFHNGPFSA-N 2 0 352.460 -0.214 20 0 FBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001122236759 843609180 /nfs/dbraw/zinc/60/91/80/843609180.db2.gz ZPBPKEXWICONPA-UXLLHSPISA-N 3 0 351.495 -0.487 20 0 FBADRP CS(=O)(=O)C1(C(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)CC[NH2+]CC1 ZINC001122243401 843609417 /nfs/dbraw/zinc/60/94/17/843609417.db2.gz VPICIASVHMDVPN-NXEZZACHSA-N 2 0 357.398 -0.109 20 0 FBADRP CS(=O)(=O)C1(C(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)CC[NH2+]CC1 ZINC001122243402 843609266 /nfs/dbraw/zinc/60/92/66/843609266.db2.gz VPICIASVHMDVPN-UWVGGRQHSA-N 2 0 357.398 -0.109 20 0 FBADRP CS(=O)(=O)C1(C(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)CC[NH2+]CC1 ZINC001122243403 843609505 /nfs/dbraw/zinc/60/95/05/843609505.db2.gz VPICIASVHMDVPN-VHSXEESVSA-N 2 0 357.398 -0.109 20 0 FBADRP CS(=O)(=O)C1(C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)CC[NH2+]CC1 ZINC001122243404 837036634 /nfs/dbraw/zinc/03/66/34/837036634.db2.gz VPICIASVHMDVPN-ZJUUUORDSA-N 2 0 357.398 -0.109 20 0 FBADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCNCCN(C(=O)[C@H]2CC[NH2+][C@H]2C)CC1 ZINC001122265407 843610460 /nfs/dbraw/zinc/61/04/60/843610460.db2.gz NBYWXIIUFHMKGR-FZKCQIBNSA-N 2 0 351.495 -0.757 20 0 FBADRP C[C@H]1[NH2+]CC[C@H]1C(=O)N1CCNCCN(C(=O)[C@H]2CC[NH2+][C@H]2C)CC1 ZINC001122265408 843610420 /nfs/dbraw/zinc/61/04/20/843610420.db2.gz NBYWXIIUFHMKGR-GEEKYZPCSA-N 2 0 351.495 -0.757 20 0 FBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCNCCN(C(=O)[C@H]2CC[NH2+][C@H]2C)CC1 ZINC001122265409 843610814 /nfs/dbraw/zinc/61/08/14/843610814.db2.gz NBYWXIIUFHMKGR-VGWMRTNUSA-N 2 0 351.495 -0.757 20 0 FBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCNCCN(C(=O)[C@H]2CC[NH2+][C@H]2C)CC1 ZINC001122265410 843610831 /nfs/dbraw/zinc/61/08/31/843610831.db2.gz NBYWXIIUFHMKGR-YHUYYLMFSA-N 2 0 351.495 -0.757 20 0 FBADRP CC[C@@]1(C(=O)NCC[NH2+]CCNC(=O)[C@@]2(CC)CC[NH2+]C2)CC[NH2+]C1 ZINC001122365121 843613668 /nfs/dbraw/zinc/61/36/68/843613668.db2.gz JWYXODMBCAVTAI-HDICACEKSA-N 3 0 353.511 -0.412 20 0 FBADRP CC[C@@]1(C(=O)NCC[NH2+]CCNC(=O)[C@]2(CC)CC[NH2+]C2)CC[NH2+]C1 ZINC001122365122 843614012 /nfs/dbraw/zinc/61/40/12/843614012.db2.gz JWYXODMBCAVTAI-QZTJIDSGSA-N 3 0 353.511 -0.412 20 0 FBADRP CC[C@]1(C(=O)NCC[NH2+]CCNC(=O)[C@@]2(CC)CC[NH2+]C2)CC[NH2+]C1 ZINC001122365123 843613724 /nfs/dbraw/zinc/61/37/24/843613724.db2.gz JWYXODMBCAVTAI-ROUUACIJSA-N 3 0 353.511 -0.412 20 0 FBADRP C[NH+]1CCCC[C@H]1C(=O)NCC[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001122366950 843615163 /nfs/dbraw/zinc/61/51/63/843615163.db2.gz ZQTHYNIDGMQNSO-HOTGVXAUSA-N 3 0 353.511 -0.223 20 0 FBADRP C[NH+]1CCCC[C@@H]1C(=O)NCC[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001122366951 843614851 /nfs/dbraw/zinc/61/48/51/843614851.db2.gz ZQTHYNIDGMQNSO-HZPDHXFCSA-N 3 0 353.511 -0.223 20 0 FBADRP C[NH+]1CCCC[C@H]1C(=O)NCC[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001122366952 843614931 /nfs/dbraw/zinc/61/49/31/843614931.db2.gz ZQTHYNIDGMQNSO-IYBDPMFKSA-N 3 0 353.511 -0.223 20 0 FBADRP [NH3+][C@@H]1CCOC2(CC(C(=O)NC[C@@]3(CO)COC[C@@H]4CCC[N@@H+]43)C2)C1 ZINC001122574195 843619615 /nfs/dbraw/zinc/61/96/15/843619615.db2.gz YRXXDNGMGABGDM-NEHBASCSSA-N 2 0 353.463 -0.385 20 0 FBADRP [NH3+][C@H]1CCOC2(CC(C(=O)NC[C@@]3(CO)COC[C@@H]4CCC[N@@H+]43)C2)C1 ZINC001122574196 843619704 /nfs/dbraw/zinc/61/97/04/843619704.db2.gz YRXXDNGMGABGDM-QGAOAIPTSA-N 2 0 353.463 -0.385 20 0 FBADRP C[C@H](NC(=O)NCCCC[NH+]1CCN(C)CC1)[C@H]1C[N@H+](C)CCN1C ZINC001123504918 843630036 /nfs/dbraw/zinc/63/00/36/843630036.db2.gz KDKCXBMXAAWOES-DLBZAZTESA-N 2 0 354.543 -0.053 20 0 FBADRP C[C@@H](NC(=O)NCCCC[NH+]1CCN(C)CC1)[C@H]1C[N@H+](C)CCN1C ZINC001123504919 843630022 /nfs/dbraw/zinc/63/00/22/843630022.db2.gz KDKCXBMXAAWOES-IAGOWNOFSA-N 2 0 354.543 -0.053 20 0 FBADRP C[C@H](NC(=O)NCCCC[NH+]1CCN(C)CC1)[C@@H]1C[N@H+](C)CCN1C ZINC001123504920 843629988 /nfs/dbraw/zinc/62/99/88/843629988.db2.gz KDKCXBMXAAWOES-IRXDYDNUSA-N 2 0 354.543 -0.053 20 0 FBADRP C[C@@H](NC(=O)NCCCC[NH+]1CCN(C)CC1)[C@@H]1C[N@H+](C)CCN1C ZINC001123504921 843630438 /nfs/dbraw/zinc/63/04/38/843630438.db2.gz KDKCXBMXAAWOES-SJORKVTESA-N 2 0 354.543 -0.053 20 0 FBADRP COCCC[N@H+](C)CCNC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[NH+]21 ZINC001123511917 843630660 /nfs/dbraw/zinc/63/06/60/843630660.db2.gz IAVSZOQQAWIEJW-DOTOQJQBSA-N 2 0 358.483 -0.520 20 0 FBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[NH+]21 ZINC001123513009 843630320 /nfs/dbraw/zinc/63/03/20/843630320.db2.gz GLTBMFYJVZTGAS-GRZALLJUSA-N 2 0 352.479 -0.006 20 0 FBADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[NH+]21 ZINC001123513010 843631852 /nfs/dbraw/zinc/63/18/52/843631852.db2.gz GLTBMFYJVZTGAS-KMANFZQXSA-N 2 0 352.479 -0.006 20 0 FBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[NH+]21 ZINC001123513011 843631755 /nfs/dbraw/zinc/63/17/55/843631755.db2.gz GLTBMFYJVZTGAS-NOVWEMISSA-N 2 0 352.479 -0.006 20 0 FBADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[NH+]21 ZINC001123513012 843631652 /nfs/dbraw/zinc/63/16/52/843631652.db2.gz GLTBMFYJVZTGAS-OWIUFQIYSA-N 2 0 352.479 -0.006 20 0 FBADRP C[C@@H](CNC(=O)NC1CCN(CC[NH+](C)C)CC1)N1CC[NH+](C)CC1 ZINC001123576316 843631670 /nfs/dbraw/zinc/63/16/70/843631670.db2.gz PRGBPCWFYDKOBO-INIZCTEOSA-N 2 0 354.543 -0.053 20 0 FBADRP C[C@H](CNC(=O)NC1CCN(CC[NH+](C)C)CC1)N1CC[NH+](C)CC1 ZINC001123576318 843631698 /nfs/dbraw/zinc/63/16/98/843631698.db2.gz PRGBPCWFYDKOBO-MRXNPFEDSA-N 2 0 354.543 -0.053 20 0 FBADRP O=C(NCCN(CCO)C(=O)C12CC[NH+](CC1)C2)C12CC[NH+](CC1)C2 ZINC001123781685 843638159 /nfs/dbraw/zinc/63/81/59/843638159.db2.gz YFGDHGLUEZVHNQ-UHFFFAOYSA-N 2 0 350.463 -0.885 20 0 FBADRP CCn1cc(CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(=O)[nH]c1=O ZINC001123872435 843640219 /nfs/dbraw/zinc/64/02/19/843640219.db2.gz VRPQJDJJLRVZGT-UHFFFAOYSA-N 2 0 354.455 -0.396 20 0 FBADRP C[C@H](CNC(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C)N1CC[NH+](C)CC1 ZINC001123885242 843640211 /nfs/dbraw/zinc/64/02/11/843640211.db2.gz CTFHYZCXLXUADF-CABCVRRESA-N 2 0 354.499 -0.616 20 0 FBADRP C[C@@H](CNC(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C)N1CC[NH+](C)CC1 ZINC001123885243 843639912 /nfs/dbraw/zinc/63/99/12/843639912.db2.gz CTFHYZCXLXUADF-GJZGRUSLSA-N 2 0 354.499 -0.616 20 0 FBADRP C[C@H](CNC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C)N1CC[NH+](C)CC1 ZINC001123885244 843640180 /nfs/dbraw/zinc/64/01/80/843640180.db2.gz CTFHYZCXLXUADF-HUUCEWRRSA-N 2 0 354.499 -0.616 20 0 FBADRP C[C@@H](CNC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C)N1CC[NH+](C)CC1 ZINC001123885245 843640298 /nfs/dbraw/zinc/64/02/98/843640298.db2.gz CTFHYZCXLXUADF-LSDHHAIUSA-N 2 0 354.499 -0.616 20 0 FBADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)CCCO1 ZINC001124057395 843648122 /nfs/dbraw/zinc/64/81/22/843648122.db2.gz VERNANKITGMNSI-CABCVRRESA-N 2 0 356.467 -0.820 20 0 FBADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)CCCO1 ZINC001124057396 843648150 /nfs/dbraw/zinc/64/81/50/843648150.db2.gz VERNANKITGMNSI-GJZGRUSLSA-N 2 0 356.467 -0.820 20 0 FBADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)CCCO1 ZINC001124057397 843647760 /nfs/dbraw/zinc/64/77/60/843647760.db2.gz VERNANKITGMNSI-HUUCEWRRSA-N 2 0 356.467 -0.820 20 0 FBADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)CCCO1 ZINC001124057398 843647529 /nfs/dbraw/zinc/64/75/29/843647529.db2.gz VERNANKITGMNSI-LSDHHAIUSA-N 2 0 356.467 -0.820 20 0 FBADRP CN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1=O ZINC001127570936 837163410 /nfs/dbraw/zinc/16/34/10/837163410.db2.gz GPVJOHBNXFRYFB-OAGGEKHMSA-N 2 0 352.479 -0.330 20 0 FBADRP CN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1=O ZINC001127570937 837163531 /nfs/dbraw/zinc/16/35/31/837163531.db2.gz GPVJOHBNXFRYFB-PMPSAXMXSA-N 2 0 352.479 -0.330 20 0 FBADRP CC(C)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001127570976 837163573 /nfs/dbraw/zinc/16/35/73/837163573.db2.gz ITZOPUHIEMLMDB-WBVHZDCISA-N 2 0 354.495 -0.036 20 0 FBADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCC[NH2+][C@@H]2CCCNC2=O)CC1 ZINC001127570988 837163723 /nfs/dbraw/zinc/16/37/23/837163723.db2.gz JJBWTUZYSNGAMB-OAGGEKHMSA-N 2 0 352.479 -0.282 20 0 FBADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCC[NH2+][C@H]2CCCNC2=O)CC1 ZINC001127570989 837163561 /nfs/dbraw/zinc/16/35/61/837163561.db2.gz JJBWTUZYSNGAMB-PMPSAXMXSA-N 2 0 352.479 -0.282 20 0 FBADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCC[NH2+]CCS(C)(=O)=O)CC1 ZINC001127571122 837163426 /nfs/dbraw/zinc/16/34/26/837163426.db2.gz LSYKWJWLHRQJBM-CABCVRRESA-N 2 0 361.508 -0.516 20 0 FBADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCC[NH2+]CC(=O)N2CCC2)CC1 ZINC001127571146 837163671 /nfs/dbraw/zinc/16/36/71/837163671.db2.gz MGINBAPBBVNPGQ-WBVHZDCISA-N 2 0 352.479 -0.329 20 0 FBADRP Cn1nncc1C[NH2+]CCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001127571240 837163630 /nfs/dbraw/zinc/16/36/30/837163630.db2.gz OLQOTRIZNXDTMU-CVEARBPZSA-N 2 0 350.467 -0.232 20 0 FBADRP CCN(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001127571361 837162370 /nfs/dbraw/zinc/16/23/70/837162370.db2.gz QGBIPCRGOADAFJ-WBVHZDCISA-N 2 0 354.495 -0.083 20 0 FBADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCC[NH2+]CC(=O)NC2CC2)CC1 ZINC001127571484 837164935 /nfs/dbraw/zinc/16/49/35/837164935.db2.gz SSCWZQZELDPKNK-WBVHZDCISA-N 2 0 352.479 -0.282 20 0 FBADRP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)C(=O)N(C)C ZINC001127571497 837164955 /nfs/dbraw/zinc/16/49/55/837164955.db2.gz SWPKOQNVEVRAKR-BMFZPTHFSA-N 2 0 354.495 -0.084 20 0 FBADRP C[C@H]([NH2+]CCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)C(=O)N(C)C ZINC001127571498 837165213 /nfs/dbraw/zinc/16/52/13/837165213.db2.gz SWPKOQNVEVRAKR-IMJJTQAJSA-N 2 0 354.495 -0.084 20 0 FBADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCC[NH2+]CCn2cncn2)CC1 ZINC001127571615 837165217 /nfs/dbraw/zinc/16/52/17/837165217.db2.gz UMBYXWOEDYZPIS-CVEARBPZSA-N 2 0 350.467 -0.269 20 0 FBADRP CCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001127571656 837163823 /nfs/dbraw/zinc/16/38/23/837163823.db2.gz WEOTXAXODVLHRU-WBVHZDCISA-N 2 0 354.495 -0.035 20 0 FBADRP C[C@@H]1[C@H](C(=O)NCCNCc2nnnn2C2CCOCC2)CC[N@@H+]1C ZINC001127639221 837186353 /nfs/dbraw/zinc/18/63/53/837186353.db2.gz WERFGBRNNPXGOG-TZMCWYRMSA-N 2 0 351.455 -0.429 20 0 FBADRP C[C@@H]1[C@H](C(=O)NCCNCc2cn(C[C@H]3CCOC3)nn2)CC[N@@H+]1C ZINC001127643882 837186805 /nfs/dbraw/zinc/18/68/05/837186805.db2.gz PWJSGWVVJIWNPI-IIAWOOMASA-N 2 0 350.467 -0.139 20 0 FBADRP C[C@@H]1[C@H](C(=O)NCCNCc2cn(C[C@@H]3CCOC3)nn2)CC[N@@H+]1C ZINC001127643883 837186556 /nfs/dbraw/zinc/18/65/56/837186556.db2.gz PWJSGWVVJIWNPI-IJEWVQPXSA-N 2 0 350.467 -0.139 20 0 FBADRP CC(C)CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127653093 837187905 /nfs/dbraw/zinc/18/79/05/837187905.db2.gz LLGVXWSAXXWZPI-BFHYXJOUSA-N 2 0 355.483 -0.097 20 0 FBADRP CC(C)CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127653094 837188279 /nfs/dbraw/zinc/18/82/79/837188279.db2.gz LLGVXWSAXXWZPI-MGPQQGTHSA-N 2 0 355.483 -0.097 20 0 FBADRP CCCNC(=O)CN(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127660277 837188201 /nfs/dbraw/zinc/18/82/01/837188201.db2.gz UDQPBEQQCYAIEN-ZIAGYGMSSA-N 2 0 355.483 -0.983 20 0 FBADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]CCCN2C(=O)NC(C)(C)C2=O)CC[N@@H+]1C ZINC001127660312 837188139 /nfs/dbraw/zinc/18/81/39/837188139.db2.gz VBCPSNFSPMMDMS-CHWSQXEVSA-N 2 0 353.467 -0.247 20 0 FBADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NC2CCCC2)CC[N@@H+]1C ZINC001127691024 837193137 /nfs/dbraw/zinc/19/31/37/837193137.db2.gz YCVSWBSTTMWVKC-TZMCWYRMSA-N 2 0 353.467 -0.199 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)CC[N@@H+]1C ZINC001127701283 837192710 /nfs/dbraw/zinc/19/27/10/837192710.db2.gz MSIXGGZWCFDOKY-QLFBSQMISA-N 2 0 360.524 -0.296 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)CC[N@@H+]1C ZINC001127701284 837194553 /nfs/dbraw/zinc/19/45/53/837194553.db2.gz MSIXGGZWCFDOKY-SOUVJXGZSA-N 2 0 360.524 -0.296 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CCCS(=O)(=O)CCOC)CC[N@@H+]1C ZINC001127701513 837194009 /nfs/dbraw/zinc/19/40/09/837194009.db2.gz RIJPPAFNMFKPEX-LSDHHAIUSA-N 2 0 363.524 -0.126 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NCC(C)C)CC[N@@H+]1C ZINC001127701542 837194441 /nfs/dbraw/zinc/19/44/41/837194441.db2.gz SUCOQGRIDJUPHV-UONOGXRCSA-N 2 0 355.483 -0.096 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC2CC2)CC[N@@H+]1C ZINC001127705331 837194251 /nfs/dbraw/zinc/19/42/51/837194251.db2.gz AFENGYTVJCYWIE-FPMFFAJLSA-N 2 0 353.467 -0.201 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC2CC2)CC[N@@H+]1C ZINC001127705332 837193957 /nfs/dbraw/zinc/19/39/57/837193957.db2.gz AFENGYTVJCYWIE-KWCYVHTRSA-N 2 0 353.467 -0.201 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]C[C@H](O)COC2CCOCC2)CC[N@@H+]1C ZINC001127705436 837194210 /nfs/dbraw/zinc/19/42/10/837194210.db2.gz DCUVXNRYVZMQDZ-BHYGNILZSA-N 2 0 357.495 -0.021 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]C[C@@H](O)COC2CCOCC2)CC[N@@H+]1C ZINC001127705439 837193989 /nfs/dbraw/zinc/19/39/89/837193989.db2.gz DCUVXNRYVZMQDZ-HYVNUMGLSA-N 2 0 357.495 -0.021 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CCN2C(=O)NC(C)(C)C2=O)CC[N@@H+]1C ZINC001127705816 837193875 /nfs/dbraw/zinc/19/38/75/837193875.db2.gz GRVPNMDXBBVGES-QWHCGFSZSA-N 2 0 353.467 -0.247 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)NCCNCc2nc(CC(=O)NC)no2)CC[N@@H+]1C ZINC001127707054 837227485 /nfs/dbraw/zinc/22/74/85/837227485.db2.gz TWSONOOJPWYALO-NWDGAFQWSA-N 2 0 352.439 -0.706 20 0 FBADRP COCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001129004475 837748900 /nfs/dbraw/zinc/74/89/00/837748900.db2.gz QOUJXSFDDQQCDK-FPCVCCKLSA-N 2 0 350.467 -0.004 20 0 FBADRP CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001129004481 837748350 /nfs/dbraw/zinc/74/83/50/837748350.db2.gz QUMFPOCWLBFMAV-FPCVCCKLSA-N 2 0 350.467 -0.004 20 0 FBADRP COCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129053049 837756723 /nfs/dbraw/zinc/75/67/23/837756723.db2.gz PHGJTBBKYADECD-OWCLPIDISA-N 2 0 350.467 -0.004 20 0 FBADRP COCCC[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129053051 837755948 /nfs/dbraw/zinc/75/59/48/837755948.db2.gz PHGJTBBKYADECD-PMPSAXMXSA-N 2 0 350.467 -0.004 20 0 FBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[NH+](CCCO)C[C@@H]1n1ccnn1 ZINC001129055242 837756549 /nfs/dbraw/zinc/75/65/49/837756549.db2.gz XVYYPQCHUHCIAE-OAGGEKHMSA-N 2 0 350.467 -0.124 20 0 FBADRP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[NH+](CCCO)C[C@@H]1n1ccnn1 ZINC001129055243 837756199 /nfs/dbraw/zinc/75/61/99/837756199.db2.gz XVYYPQCHUHCIAE-XHSDSOJGSA-N 2 0 350.467 -0.124 20 0 FBADRP CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129065554 837758192 /nfs/dbraw/zinc/75/81/92/837758192.db2.gz YNUXZWLAUIZDJN-CABCVRRESA-N 2 0 350.467 -0.002 20 0 FBADRP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129204489 837770482 /nfs/dbraw/zinc/77/04/82/837770482.db2.gz GEBOSLVLPRQYPU-OAGGEKHMSA-N 2 0 350.467 -0.002 20 0 FBADRP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129204490 837770351 /nfs/dbraw/zinc/77/03/51/837770351.db2.gz GEBOSLVLPRQYPU-XHSDSOJGSA-N 2 0 350.467 -0.002 20 0 FBADRP COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](n2ccnn2)C1 ZINC001129210311 837774094 /nfs/dbraw/zinc/77/40/94/837774094.db2.gz QLUIRGLJHAIXKI-KFWWJZLASA-N 2 0 350.467 -0.004 20 0 FBADRP COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](n2ccnn2)C1 ZINC001129210312 837774271 /nfs/dbraw/zinc/77/42/71/837774271.db2.gz QLUIRGLJHAIXKI-ZNMIVQPWSA-N 2 0 350.467 -0.004 20 0 FBADRP COCCC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](n2ccnn2)C1 ZINC001129210940 837773754 /nfs/dbraw/zinc/77/37/54/837773754.db2.gz ZGKDDVAESLOZHI-CABCVRRESA-N 2 0 350.467 -0.002 20 0 FBADRP COCCC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001129219287 837775582 /nfs/dbraw/zinc/77/55/82/837775582.db2.gz CSLYRIZOKRUPFD-CVEARBPZSA-N 2 0 350.467 -0.002 20 0 FBADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1n1ccnn1 ZINC001129220223 837775141 /nfs/dbraw/zinc/77/51/41/837775141.db2.gz RZYCDKDYSXLDLV-CVEARBPZSA-N 2 0 350.467 -0.002 20 0 FBADRP CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](n2ccnn2)C1 ZINC001129220257 837775036 /nfs/dbraw/zinc/77/50/36/837775036.db2.gz TZBYHGMDQLXEGQ-KFWWJZLASA-N 2 0 350.467 -0.004 20 0 FBADRP CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](n2ccnn2)C1 ZINC001129220258 837775313 /nfs/dbraw/zinc/77/53/13/837775313.db2.gz TZBYHGMDQLXEGQ-ZNMIVQPWSA-N 2 0 350.467 -0.004 20 0 FBADRP CCOCC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001129224263 837776896 /nfs/dbraw/zinc/77/68/96/837776896.db2.gz YGWFLJCGVPGWAU-CVEARBPZSA-N 2 0 350.467 -0.002 20 0 FBADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@@H]1n1ccnn1 ZINC001129228219 837776480 /nfs/dbraw/zinc/77/64/80/837776480.db2.gz JBGZDUFVSWJYHW-OAGGEKHMSA-N 2 0 350.467 -0.002 20 0 FBADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@@H]1n1ccnn1 ZINC001129228220 837776428 /nfs/dbraw/zinc/77/64/28/837776428.db2.gz JBGZDUFVSWJYHW-XHSDSOJGSA-N 2 0 350.467 -0.002 20 0 FBADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129228468 837778437 /nfs/dbraw/zinc/77/84/37/837778437.db2.gz UFENFBXXCOWKHV-OAGGEKHMSA-N 2 0 350.467 -0.002 20 0 FBADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129228469 837777460 /nfs/dbraw/zinc/77/74/60/837777460.db2.gz UFENFBXXCOWKHV-XHSDSOJGSA-N 2 0 350.467 -0.002 20 0 FBADRP COCCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001129266788 837782769 /nfs/dbraw/zinc/78/27/69/837782769.db2.gz QYLLKBUHIKGFDP-OAGGEKHMSA-N 2 0 350.467 -0.002 20 0 FBADRP COCCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001129266791 837783242 /nfs/dbraw/zinc/78/32/42/837783242.db2.gz QYLLKBUHIKGFDP-XHSDSOJGSA-N 2 0 350.467 -0.002 20 0 FBADRP C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](n2ccnn2)C1 ZINC001129276214 837786503 /nfs/dbraw/zinc/78/65/03/837786503.db2.gz BBQIWNGXZYHPML-KFWWJZLASA-N 2 0 352.483 -0.022 20 0 FBADRP C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](n2ccnn2)C1 ZINC001129276223 837786389 /nfs/dbraw/zinc/78/63/89/837786389.db2.gz BBQIWNGXZYHPML-ZNMIVQPWSA-N 2 0 352.483 -0.022 20 0 FBADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129337490 839310562 /nfs/dbraw/zinc/31/05/62/839310562.db2.gz KCXIOXWPQKXPHF-OAGGEKHMSA-N 2 0 350.467 -0.002 20 0 FBADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129337491 839310734 /nfs/dbraw/zinc/31/07/34/839310734.db2.gz KCXIOXWPQKXPHF-XHSDSOJGSA-N 2 0 350.467 -0.002 20 0 FBADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129369930 839319191 /nfs/dbraw/zinc/31/91/91/839319191.db2.gz KHYMYNQGNNRLOX-OAGGEKHMSA-N 2 0 350.467 -0.002 20 0 FBADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129369932 839318141 /nfs/dbraw/zinc/31/81/41/839318141.db2.gz KHYMYNQGNNRLOX-XHSDSOJGSA-N 2 0 350.467 -0.002 20 0 FBADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CCC2CC2)C[C@@H]1n1ccnn1 ZINC001129384767 839352962 /nfs/dbraw/zinc/35/29/62/839352962.db2.gz AOUIXCXPGINGKR-CVEARBPZSA-N 2 0 350.467 -0.002 20 0 FBADRP C[C@@H](F)CC[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129384781 839352728 /nfs/dbraw/zinc/35/27/28/839352728.db2.gz AYAURLSCXCYPAT-KFWWJZLASA-N 2 0 356.446 -0.054 20 0 FBADRP C[C@H](F)CC[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129384793 839351921 /nfs/dbraw/zinc/35/19/21/839351921.db2.gz AYAURLSCXCYPAT-ZNMIVQPWSA-N 2 0 356.446 -0.054 20 0 FBADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CC2CCC2)C[C@@H]1n1ccnn1 ZINC001129385102 839354696 /nfs/dbraw/zinc/35/46/96/839354696.db2.gz HXERYOBWAJGDNE-CVEARBPZSA-N 2 0 350.467 -0.002 20 0 FBADRP COCCC[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129385345 839353306 /nfs/dbraw/zinc/35/33/06/839353306.db2.gz KEMHXGLEJXHSSN-CABCVRRESA-N 2 0 354.455 -0.766 20 0 FBADRP COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129385521 839353338 /nfs/dbraw/zinc/35/33/38/839353338.db2.gz OTHPYYNVHGWUQU-KFWWJZLASA-N 2 0 354.455 -0.767 20 0 FBADRP COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129385603 839354777 /nfs/dbraw/zinc/35/47/77/839354777.db2.gz OTHPYYNVHGWUQU-ZNMIVQPWSA-N 2 0 354.455 -0.767 20 0 FBADRP CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129385679 839356951 /nfs/dbraw/zinc/35/69/51/839356951.db2.gz QQTVRQXYWUJGFT-KFWWJZLASA-N 2 0 354.455 -0.767 20 0 FBADRP CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129385685 839355963 /nfs/dbraw/zinc/35/59/63/839355963.db2.gz QQTVRQXYWUJGFT-ZNMIVQPWSA-N 2 0 354.455 -0.767 20 0 FBADRP COCCC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129385848 839358193 /nfs/dbraw/zinc/35/81/93/839358193.db2.gz SKPJHQOCCOAEJQ-OAGGEKHMSA-N 2 0 350.467 -0.002 20 0 FBADRP COCCC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129385851 839358413 /nfs/dbraw/zinc/35/84/13/839358413.db2.gz SKPJHQOCCOAEJQ-XHSDSOJGSA-N 2 0 350.467 -0.002 20 0 FBADRP CCOCC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129386073 839357861 /nfs/dbraw/zinc/35/78/61/839357861.db2.gz XCHVWZAYJZPHNU-OAGGEKHMSA-N 2 0 350.467 -0.002 20 0 FBADRP CCOCC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129386074 839359125 /nfs/dbraw/zinc/35/91/25/839359125.db2.gz XCHVWZAYJZPHNU-XHSDSOJGSA-N 2 0 350.467 -0.002 20 0 FBADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129407171 839499249 /nfs/dbraw/zinc/49/92/49/839499249.db2.gz GYNFRIZOHIFYPS-OAGGEKHMSA-N 2 0 350.467 -0.002 20 0 FBADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129407172 839499674 /nfs/dbraw/zinc/49/96/74/839499674.db2.gz GYNFRIZOHIFYPS-XHSDSOJGSA-N 2 0 350.467 -0.002 20 0 FBADRP CC(C)[N@@H+]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129433479 839503058 /nfs/dbraw/zinc/50/30/58/839503058.db2.gz BJRHMIHPSCAZLV-OAGGEKHMSA-N 2 0 350.467 -0.004 20 0 FBADRP CC(C)[N@@H+]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129433480 839502418 /nfs/dbraw/zinc/50/24/18/839502418.db2.gz BJRHMIHPSCAZLV-XHSDSOJGSA-N 2 0 350.467 -0.004 20 0 FBADRP CCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129433535 839504418 /nfs/dbraw/zinc/50/44/18/839504418.db2.gz FTSCEHVKDLHZBO-OAGGEKHMSA-N 2 0 350.467 -0.002 20 0 FBADRP CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129433536 839504860 /nfs/dbraw/zinc/50/48/60/839504860.db2.gz FTSCEHVKDLHZBO-XHSDSOJGSA-N 2 0 350.467 -0.002 20 0 FBADRP CCOCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433550 839503990 /nfs/dbraw/zinc/50/39/90/839503990.db2.gz GKFJATPEXHZQCS-OAGGEKHMSA-N 2 0 350.467 -0.002 20 0 FBADRP CCOCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433551 839504265 /nfs/dbraw/zinc/50/42/65/839504265.db2.gz GKFJATPEXHZQCS-XHSDSOJGSA-N 2 0 350.467 -0.002 20 0 FBADRP COCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433586 839504225 /nfs/dbraw/zinc/50/42/25/839504225.db2.gz HQUHDOJBBJHJAV-OAGGEKHMSA-N 2 0 350.467 -0.002 20 0 FBADRP COCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433587 839503847 /nfs/dbraw/zinc/50/38/47/839503847.db2.gz HQUHDOJBBJHJAV-XHSDSOJGSA-N 2 0 350.467 -0.002 20 0 FBADRP CC(C)OCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433684 839503937 /nfs/dbraw/zinc/50/39/37/839503937.db2.gz MLQFBDGRNKMVMU-OAGGEKHMSA-N 2 0 350.467 -0.004 20 0 FBADRP CC(C)OCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433685 839504781 /nfs/dbraw/zinc/50/47/81/839504781.db2.gz MLQFBDGRNKMVMU-XHSDSOJGSA-N 2 0 350.467 -0.004 20 0 FBADRP C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129453630 839502035 /nfs/dbraw/zinc/50/20/35/839502035.db2.gz FTFUEQXBSRTZLP-OAGGEKHMSA-N 2 0 350.467 -0.124 20 0 FBADRP C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129453631 839502962 /nfs/dbraw/zinc/50/29/62/839502962.db2.gz FTFUEQXBSRTZLP-XHSDSOJGSA-N 2 0 350.467 -0.124 20 0 FBADRP C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](n2ccnn2)C1 ZINC001129453884 839502926 /nfs/dbraw/zinc/50/29/26/839502926.db2.gz NIVMUHYWXRPLAR-OAGGEKHMSA-N 2 0 350.467 -0.124 20 0 FBADRP C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](n2ccnn2)C1 ZINC001129453885 839502114 /nfs/dbraw/zinc/50/21/14/839502114.db2.gz NIVMUHYWXRPLAR-XHSDSOJGSA-N 2 0 350.467 -0.124 20 0 FBADRP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001129453944 839502619 /nfs/dbraw/zinc/50/26/19/839502619.db2.gz RSIKTSQLCNUVAA-CVEARBPZSA-N 2 0 350.467 -0.122 20 0 FBADRP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001129453995 839503124 /nfs/dbraw/zinc/50/31/24/839503124.db2.gz SVIWIXMVRGBSSZ-CVEARBPZSA-N 2 0 350.467 -0.122 20 0 FBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129465931 839504531 /nfs/dbraw/zinc/50/45/31/839504531.db2.gz UNTMQCBIWVNLSG-OAGGEKHMSA-N 2 0 350.467 -0.004 20 0 FBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129465932 839504195 /nfs/dbraw/zinc/50/41/95/839504195.db2.gz UNTMQCBIWVNLSG-XHSDSOJGSA-N 2 0 350.467 -0.004 20 0 FBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001129837440 839549398 /nfs/dbraw/zinc/54/93/98/839549398.db2.gz DRDPYXPKHFKRAO-OAGGEKHMSA-N 2 0 350.467 -0.125 20 0 FBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001129837443 839548929 /nfs/dbraw/zinc/54/89/29/839548929.db2.gz DRDPYXPKHFKRAO-PMPSAXMXSA-N 2 0 350.467 -0.125 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]([NH2+]CCCO)[C@@H](n3ccnn3)C2)CC[N@@H+]1C ZINC001129849938 839548293 /nfs/dbraw/zinc/54/82/93/839548293.db2.gz CVANEPMZEXYABL-JJXSEGSLSA-N 2 0 350.467 -0.268 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]([NH2+]CCOC)[C@@H](n3ccnn3)C2)CC[N@@H+]1C ZINC001129849949 839548019 /nfs/dbraw/zinc/54/80/19/839548019.db2.gz DKRSUNBYAKTLDQ-JJXSEGSLSA-N 2 0 350.467 -0.004 20 0 FBADRP COCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001129854965 839548202 /nfs/dbraw/zinc/54/82/02/839548202.db2.gz DMPLHUNDHSXSRN-FPCVCCKLSA-N 2 0 350.467 -0.004 20 0 FBADRP CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001129858276 839547651 /nfs/dbraw/zinc/54/76/51/839547651.db2.gz TUXMSZKYYVVSLV-FPCVCCKLSA-N 2 0 350.467 -0.004 20 0 FBADRP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001129878774 839550208 /nfs/dbraw/zinc/55/02/08/839550208.db2.gz DRHGGFLLNAOIIJ-KFWWJZLASA-N 2 0 356.446 -0.318 20 0 FBADRP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001129878775 839550839 /nfs/dbraw/zinc/55/08/39/839550839.db2.gz DRHGGFLLNAOIIJ-ZNMIVQPWSA-N 2 0 356.446 -0.318 20 0 FBADRP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H]([NH2+]CCOC)[C@@H](n2ccnn2)C1 ZINC001129879014 839550100 /nfs/dbraw/zinc/55/01/00/839550100.db2.gz NXZHZNJLMCVCHE-KFWWJZLASA-N 2 0 356.446 -0.054 20 0 FBADRP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H]([NH2+]CCOC)[C@@H](n2ccnn2)C1 ZINC001129879015 839550244 /nfs/dbraw/zinc/55/02/44/839550244.db2.gz NXZHZNJLMCVCHE-ZNMIVQPWSA-N 2 0 356.446 -0.054 20 0 FBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001129884293 839551361 /nfs/dbraw/zinc/55/13/61/839551361.db2.gz JGONGNXLJBDQKA-OAGGEKHMSA-N 2 0 350.467 -0.124 20 0 FBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001129884295 839551688 /nfs/dbraw/zinc/55/16/88/839551688.db2.gz JGONGNXLJBDQKA-PMPSAXMXSA-N 2 0 350.467 -0.124 20 0 FBADRP COCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129892155 839553018 /nfs/dbraw/zinc/55/30/18/839553018.db2.gz KNWMVAGWKVDESL-OWCLPIDISA-N 2 0 350.467 -0.004 20 0 FBADRP COCCC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129892156 839553512 /nfs/dbraw/zinc/55/35/12/839553512.db2.gz KNWMVAGWKVDESL-PMPSAXMXSA-N 2 0 350.467 -0.004 20 0 FBADRP CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129892416 839553149 /nfs/dbraw/zinc/55/31/49/839553149.db2.gz WIDQZQWZNHAYAJ-OWCLPIDISA-N 2 0 350.467 -0.004 20 0 FBADRP CCOCC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129892417 839552619 /nfs/dbraw/zinc/55/26/19/839552619.db2.gz WIDQZQWZNHAYAJ-PMPSAXMXSA-N 2 0 350.467 -0.004 20 0 FBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001129900057 839557651 /nfs/dbraw/zinc/55/76/51/839557651.db2.gz YUDGFGHBOPEEPQ-OAGGEKHMSA-N 2 0 350.467 -0.124 20 0 FBADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001129900058 839557349 /nfs/dbraw/zinc/55/73/49/839557349.db2.gz YUDGFGHBOPEEPQ-XHSDSOJGSA-N 2 0 350.467 -0.124 20 0 FBADRP CC[C@H](C(=O)N1C[C@@H]([NH2+]CC(=O)N(C)C)[C@@H](n2ccnn2)C1)[NH+](C)C ZINC001129910245 839554369 /nfs/dbraw/zinc/55/43/69/839554369.db2.gz KHPRDTHTQGWLQF-MCIONIFRSA-N 2 0 351.455 -0.952 20 0 FBADRP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129910302 839554411 /nfs/dbraw/zinc/55/44/11/839554411.db2.gz MTDKJGWMVUHTPG-MCIONIFRSA-N 2 0 351.455 -0.904 20 0 FBADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H]([NH2+]CC(=O)NC)[C@@H](n2ccnn2)C1 ZINC001129918728 839559593 /nfs/dbraw/zinc/55/95/93/839559593.db2.gz HKTHYQRUXBCBED-OLZOCXBDSA-N 2 0 351.455 -0.904 20 0 FBADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H]([NH2+][C@H](C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001129919203 839559671 /nfs/dbraw/zinc/55/96/71/839559671.db2.gz QHEYUZNWZFXWJI-UPJWGTAASA-N 2 0 351.455 -0.776 20 0 FBADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H]([NH2+][C@@H](C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001129919204 839560405 /nfs/dbraw/zinc/56/04/05/839560405.db2.gz QHEYUZNWZFXWJI-XQQFMLRXSA-N 2 0 351.455 -0.776 20 0 FBADRP C[NH+](C)C1(CC(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)CCCC1 ZINC001129945502 839563084 /nfs/dbraw/zinc/56/30/84/839563084.db2.gz ONNHYKWAXFULPC-CABCVRRESA-N 2 0 350.467 -0.124 20 0 FBADRP CC(C)(C(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1)[NH+]1CCCC1 ZINC001129970202 839564790 /nfs/dbraw/zinc/56/47/90/839564790.db2.gz CWYUMAVODAOETH-CABCVRRESA-N 2 0 350.467 -0.124 20 0 FBADRP C[C@H]1C[C@@H](C(=O)N2C[C@@H]([NH2+]CCCO)[C@@H](n3ccnn3)C2)CC[N@@H+]1C ZINC001129980401 839566412 /nfs/dbraw/zinc/56/64/12/839566412.db2.gz JIXPQSVLEZQQQC-JONQDZQNSA-N 2 0 350.467 -0.268 20 0 FBADRP COCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@@H]1n1ccnn1 ZINC001129980678 839566200 /nfs/dbraw/zinc/56/62/00/839566200.db2.gz SRONRIFRHDVRDY-JONQDZQNSA-N 2 0 350.467 -0.004 20 0 FBADRP CCOCC[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1n1ccnn1 ZINC001129982623 839566341 /nfs/dbraw/zinc/56/63/41/839566341.db2.gz GCVRMMYNGXLMFK-CABCVRRESA-N 2 0 350.467 -0.002 20 0 FBADRP COCCC[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1n1ccnn1 ZINC001129982665 839566837 /nfs/dbraw/zinc/56/68/37/839566837.db2.gz HVKJOJMQQFNQII-CABCVRRESA-N 2 0 350.467 -0.002 20 0 FBADRP CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1n1ccnn1 ZINC001129983180 839566288 /nfs/dbraw/zinc/56/62/88/839566288.db2.gz QJYYOSZZLKLNEE-KFWWJZLASA-N 2 0 350.467 -0.004 20 0 FBADRP CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1n1ccnn1 ZINC001129983181 839566399 /nfs/dbraw/zinc/56/63/99/839566399.db2.gz QJYYOSZZLKLNEE-ZNMIVQPWSA-N 2 0 350.467 -0.004 20 0 FBADRP C[NH+](C)CCCC(=O)N1C[C@@H]([NH2+]C[C@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001129983260 839566040 /nfs/dbraw/zinc/56/60/40/839566040.db2.gz UKJGIFIIWCIYDZ-OAGGEKHMSA-N 2 0 350.467 -0.002 20 0 FBADRP C[NH+](C)CCCC(=O)N1C[C@@H]([NH2+]C[C@@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001129983261 839566746 /nfs/dbraw/zinc/56/67/46/839566746.db2.gz UKJGIFIIWCIYDZ-XHSDSOJGSA-N 2 0 350.467 -0.002 20 0 FBADRP COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1n1ccnn1 ZINC001129983285 839566775 /nfs/dbraw/zinc/56/67/75/839566775.db2.gz VLSQBSQBEASIMY-KFWWJZLASA-N 2 0 350.467 -0.004 20 0 FBADRP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1n1ccnn1 ZINC001129983286 839566943 /nfs/dbraw/zinc/56/69/43/839566943.db2.gz VLSQBSQBEASIMY-ZNMIVQPWSA-N 2 0 350.467 -0.004 20 0 FBADRP CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129984807 839566550 /nfs/dbraw/zinc/56/65/50/839566550.db2.gz BTGTVCWKXHLUKN-KGLIPLIRSA-N 2 0 351.455 -0.950 20 0 FBADRP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129984851 839566531 /nfs/dbraw/zinc/56/65/31/839566531.db2.gz FBYCELJYMLMQCP-KGLIPLIRSA-N 2 0 351.455 -0.903 20 0 FBADRP CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129986486 839568653 /nfs/dbraw/zinc/56/86/53/839568653.db2.gz BYRZGMYHSMCGCK-MCIONIFRSA-N 2 0 351.455 -0.904 20 0 FBADRP CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129986487 839568948 /nfs/dbraw/zinc/56/89/48/839568948.db2.gz BYRZGMYHSMCGCK-MJBXVCDLSA-N 2 0 351.455 -0.904 20 0 FBADRP CC[C@@H]([NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1n1ccnn1)C(N)=O ZINC001129986782 839569091 /nfs/dbraw/zinc/56/90/91/839569091.db2.gz LYURHBYCLNSJCV-MCIONIFRSA-N 2 0 351.455 -0.775 20 0 FBADRP CC[C@H]([NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1n1ccnn1)C(N)=O ZINC001129986783 839569253 /nfs/dbraw/zinc/56/92/53/839569253.db2.gz LYURHBYCLNSJCV-MJBXVCDLSA-N 2 0 351.455 -0.775 20 0 FBADRP CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1n1ccnn1 ZINC001129991914 839568728 /nfs/dbraw/zinc/56/87/28/839568728.db2.gz CGPWWLXGNRKEAI-BMFZPTHFSA-N 2 0 350.467 -0.004 20 0 FBADRP CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1n1ccnn1 ZINC001129991915 839568784 /nfs/dbraw/zinc/56/87/84/839568784.db2.gz CGPWWLXGNRKEAI-IMJJTQAJSA-N 2 0 350.467 -0.004 20 0 FBADRP C[NH+](C)CCC(=O)N1C[C@@H]([NH2+]CCOCC(F)F)[C@@H](n2ccnn2)C1 ZINC001129991986 839569235 /nfs/dbraw/zinc/56/92/35/839569235.db2.gz GLDAMYXYSJKDRM-OLZOCXBDSA-N 2 0 360.409 -0.147 20 0 FBADRP COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1n1ccnn1 ZINC001129992079 839568344 /nfs/dbraw/zinc/56/83/44/839568344.db2.gz KMADLRNBDZWVKL-BMFZPTHFSA-N 2 0 350.467 -0.004 20 0 FBADRP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1n1ccnn1 ZINC001129992080 839569213 /nfs/dbraw/zinc/56/92/13/839569213.db2.gz KMADLRNBDZWVKL-IMJJTQAJSA-N 2 0 350.467 -0.004 20 0 FBADRP CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129992170 839568870 /nfs/dbraw/zinc/56/88/70/839568870.db2.gz OJSMAZCQQRONNI-KGLIPLIRSA-N 2 0 351.455 -0.950 20 0 FBADRP CC(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129992186 839568569 /nfs/dbraw/zinc/56/85/69/839568569.db2.gz PRKJJFGFZRFNIA-KGLIPLIRSA-N 2 0 351.455 -0.904 20 0 FBADRP C[NH+](C)CCC(=O)N1C[C@@H]([NH2+]CC[C@@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001129992225 839569707 /nfs/dbraw/zinc/56/97/07/839569707.db2.gz SRDWVDGWWDNJAZ-OAGGEKHMSA-N 2 0 350.467 -0.002 20 0 FBADRP C[NH+](C)CCC(=O)N1C[C@@H]([NH2+]CC[C@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001129992226 839569747 /nfs/dbraw/zinc/56/97/47/839569747.db2.gz SRDWVDGWWDNJAZ-XHSDSOJGSA-N 2 0 350.467 -0.002 20 0 FBADRP COCCC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1n1ccnn1 ZINC001129992240 839570556 /nfs/dbraw/zinc/57/05/56/839570556.db2.gz UHMVPHJSMSMOTO-CVEARBPZSA-N 2 0 350.467 -0.002 20 0 FBADRP CCOCC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1n1ccnn1 ZINC001129992255 839570287 /nfs/dbraw/zinc/57/02/87/839570287.db2.gz VBJGSKCHPMLLII-CVEARBPZSA-N 2 0 350.467 -0.002 20 0 FBADRP C[NH+](C)CCC(=O)N1C[C@@H]([NH2+]C[C@H]2CCCOC2)[C@@H](n2ccnn2)C1 ZINC001129992277 839569829 /nfs/dbraw/zinc/56/98/29/839569829.db2.gz WEJDJTVIWGISNW-OAGGEKHMSA-N 2 0 350.467 -0.002 20 0 FBADRP C[NH+](C)CCC(=O)N1C[C@@H]([NH2+]C[C@@H]2CCCOC2)[C@@H](n2ccnn2)C1 ZINC001129992278 839570388 /nfs/dbraw/zinc/57/03/88/839570388.db2.gz WEJDJTVIWGISNW-XHSDSOJGSA-N 2 0 350.467 -0.002 20 0 FBADRP COCCOCC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129992310 839570296 /nfs/dbraw/zinc/57/02/96/839570296.db2.gz XZLXUWTYRYZMGG-CABCVRRESA-N 2 0 354.455 -0.766 20 0 FBADRP CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129992336 839570610 /nfs/dbraw/zinc/57/06/10/839570610.db2.gz ZBVKBUSNYHRVNW-KGLIPLIRSA-N 2 0 351.455 -0.903 20 0 FBADRP C[NH+](C)CCC(=O)N1C[C@@H]([NH2+]CC2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129994497 839568184 /nfs/dbraw/zinc/56/81/84/839568184.db2.gz RDESWSYIKROBJX-CVEARBPZSA-N 2 0 350.467 -0.002 20 0 FBADRP C[NH+](C)CCC(=O)N1C[C@@H]([NH2+]CCOCC2CC2)[C@@H](n2ccnn2)C1 ZINC001129994557 839567680 /nfs/dbraw/zinc/56/76/80/839567680.db2.gz UPLKACFYEYFUHQ-CVEARBPZSA-N 2 0 350.467 -0.002 20 0 FBADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1n1ccnn1)C(=O)N(C)C ZINC001129994591 839568151 /nfs/dbraw/zinc/56/81/51/839568151.db2.gz WRWZCGUDIJNSHZ-MCIONIFRSA-N 2 0 351.455 -0.952 20 0 FBADRP C[C@H]([NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1n1ccnn1)C(=O)N(C)C ZINC001129994592 839568118 /nfs/dbraw/zinc/56/81/18/839568118.db2.gz WRWZCGUDIJNSHZ-MJBXVCDLSA-N 2 0 351.455 -0.952 20 0 FBADRP COCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@@H]1n1ccnn1 ZINC001130005973 839571037 /nfs/dbraw/zinc/57/10/37/839571037.db2.gz NKURNTBAQVMYRY-OAGGEKHMSA-N 2 0 350.467 -0.002 20 0 FBADRP COCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@@H]1n1ccnn1 ZINC001130005974 839571281 /nfs/dbraw/zinc/57/12/81/839571281.db2.gz NKURNTBAQVMYRY-XHSDSOJGSA-N 2 0 350.467 -0.002 20 0 FBADRP CCOCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@@H]1n1ccnn1 ZINC001130006038 839571467 /nfs/dbraw/zinc/57/14/67/839571467.db2.gz QBUPHISVIRNBGK-OAGGEKHMSA-N 2 0 350.467 -0.002 20 0 FBADRP CCOCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@@H]1n1ccnn1 ZINC001130006039 839571677 /nfs/dbraw/zinc/57/16/77/839571677.db2.gz QBUPHISVIRNBGK-XHSDSOJGSA-N 2 0 350.467 -0.002 20 0 FBADRP CC[C@H](C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1)[NH+](CC)CC ZINC001130006111 839571016 /nfs/dbraw/zinc/57/10/16/839571016.db2.gz TWGCWTMQNSGHRN-MCIONIFRSA-N 2 0 351.455 -0.775 20 0 FBADRP CC[C@@H](C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1)[NH+](CC)CC ZINC001130006112 839571109 /nfs/dbraw/zinc/57/11/09/839571109.db2.gz TWGCWTMQNSGHRN-RDBSUJKOSA-N 2 0 351.455 -0.775 20 0 FBADRP CC[C@@H](C(=O)N1C[C@@H]([NH2+]CC(=O)N(C)C)[C@@H](n2ccnn2)C1)[NH+](C)C ZINC001130007387 839571395 /nfs/dbraw/zinc/57/13/95/839571395.db2.gz KHPRDTHTQGWLQF-RDBSUJKOSA-N 2 0 351.455 -0.952 20 0 FBADRP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001130007602 839571613 /nfs/dbraw/zinc/57/16/13/839571613.db2.gz MTDKJGWMVUHTPG-RDBSUJKOSA-N 2 0 351.455 -0.904 20 0 FBADRP C[N@H+](CC(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1)CC(C)(C)C ZINC001130011927 839569882 /nfs/dbraw/zinc/56/98/82/839569882.db2.gz FNQUSPPOXYLRTJ-CABCVRRESA-N 2 0 352.483 -0.020 20 0 FBADRP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1n1ccnn1 ZINC001130012020 839570397 /nfs/dbraw/zinc/57/03/97/839570397.db2.gz JRTSFRKLJOOXJI-KFWWJZLASA-N 2 0 352.483 -0.022 20 0 FBADRP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1n1ccnn1 ZINC001130012021 839570427 /nfs/dbraw/zinc/57/04/27/839570427.db2.gz JRTSFRKLJOOXJI-ZNMIVQPWSA-N 2 0 352.483 -0.022 20 0 FBADRP CC1(C)CC[N@H+](CC(=O)N2C[C@@H]([NH2+]CCCO)[C@@H](n3ccnn3)C2)C1 ZINC001130012055 839569607 /nfs/dbraw/zinc/56/96/07/839569607.db2.gz MDJGRCNSRXWIJN-CABCVRRESA-N 2 0 350.467 -0.266 20 0 FBADRP COCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1n1ccnn1 ZINC001130012089 839570074 /nfs/dbraw/zinc/57/00/74/839570074.db2.gz NZYPTAFLQXWORL-CABCVRRESA-N 2 0 350.467 -0.002 20 0 FBADRP C[N@H+](CC(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1)CC(C)(C)C ZINC001130012214 839570522 /nfs/dbraw/zinc/57/05/22/839570522.db2.gz VLTJPFBAGWGQKW-OLZOCXBDSA-N 2 0 351.455 -0.917 20 0 FBADRP COCC[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1n1ccnn1 ZINC001130027905 839572878 /nfs/dbraw/zinc/57/28/78/839572878.db2.gz BSNMREQDVBQFFZ-CVEARBPZSA-N 2 0 350.467 -0.002 20 0 FBADRP C[NH+]1CCC(CC(=O)N2C[C@@H]([NH2+]CCCO)[C@@H](n3ccnn3)C2)CC1 ZINC001130030707 839573625 /nfs/dbraw/zinc/57/36/25/839573625.db2.gz NHJBGPILWWPXHH-CVEARBPZSA-N 2 0 350.467 -0.266 20 0 FBADRP CC[NH+](CC)[C@@H](C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1)C(C)C ZINC001130046753 839575357 /nfs/dbraw/zinc/57/53/57/839575357.db2.gz QTUJSDAPFWDABP-OWCLPIDISA-N 2 0 352.483 -0.022 20 0 FBADRP CC[NH+](CC)[C@H](C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1)C(C)C ZINC001130046754 839575464 /nfs/dbraw/zinc/57/54/64/839575464.db2.gz QTUJSDAPFWDABP-PMPSAXMXSA-N 2 0 352.483 -0.022 20 0 FBADRP CC[C@@H]([NH2+][C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@@H]1n1ccnn1)C(N)=O ZINC001130047531 839575344 /nfs/dbraw/zinc/57/53/44/839575344.db2.gz FZYJFWIGQUXLJM-MCIONIFRSA-N 2 0 351.455 -0.775 20 0 FBADRP CC[C@H]([NH2+][C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@@H]1n1ccnn1)C(N)=O ZINC001130047532 839575468 /nfs/dbraw/zinc/57/54/68/839575468.db2.gz FZYJFWIGQUXLJM-MJBXVCDLSA-N 2 0 351.455 -0.775 20 0 FBADRP CC[NH+](CC)CC(=O)N1C[C@@H]([NH2+]C[C@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001130047796 839575401 /nfs/dbraw/zinc/57/54/01/839575401.db2.gz UKKYAYNBNFKHAB-OAGGEKHMSA-N 2 0 350.467 -0.002 20 0 FBADRP CC[NH+](CC)CC(=O)N1C[C@@H]([NH2+]C[C@@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001130047797 839575514 /nfs/dbraw/zinc/57/55/14/839575514.db2.gz UKKYAYNBNFKHAB-XHSDSOJGSA-N 2 0 350.467 -0.002 20 0 FBADRP CC[NH+](CC)CC(=O)N1C[C@@H]([NH2+][C@H](C)C(=O)NC)[C@@H](n2ccnn2)C1 ZINC001130047837 839574860 /nfs/dbraw/zinc/57/48/60/839574860.db2.gz WBHQLEJJKWDFTE-MCIONIFRSA-N 2 0 351.455 -0.904 20 0 FBADRP CC[NH+](CC)CC(=O)N1C[C@@H]([NH2+][C@@H](C)C(=O)NC)[C@@H](n2ccnn2)C1 ZINC001130047838 839574800 /nfs/dbraw/zinc/57/48/00/839574800.db2.gz WBHQLEJJKWDFTE-MJBXVCDLSA-N 2 0 351.455 -0.904 20 0 FBADRP CC1CC[NH+](CC(=O)N2C[C@@H]([NH2+]CCCO)[C@@H](n3ccnn3)C2)CC1 ZINC001130054391 839575184 /nfs/dbraw/zinc/57/51/84/839575184.db2.gz ASIISSDGINGWHU-CVEARBPZSA-N 2 0 350.467 -0.266 20 0 FBADRP COCC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1n1ccnn1 ZINC001130054647 839575490 /nfs/dbraw/zinc/57/54/90/839575490.db2.gz HKAGERYZDVBUAY-CVEARBPZSA-N 2 0 350.467 -0.002 20 0 FBADRP CC[C@@H]([NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1n1ccnn1)C(N)=O ZINC001130075112 839577364 /nfs/dbraw/zinc/57/73/64/839577364.db2.gz MBGUESFMGUNSEX-MCIONIFRSA-N 2 0 351.455 -0.775 20 0 FBADRP CC[C@H]([NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1n1ccnn1)C(N)=O ZINC001130075113 839578947 /nfs/dbraw/zinc/57/89/47/839578947.db2.gz MBGUESFMGUNSEX-MJBXVCDLSA-N 2 0 351.455 -0.775 20 0 FBADRP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]C[C@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001130075134 839578571 /nfs/dbraw/zinc/57/85/71/839578571.db2.gz NKPCTGJZUMAOJR-OAGGEKHMSA-N 2 0 350.467 -0.002 20 0 FBADRP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]C[C@@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001130075135 839578585 /nfs/dbraw/zinc/57/85/85/839578585.db2.gz NKPCTGJZUMAOJR-XHSDSOJGSA-N 2 0 350.467 -0.002 20 0 FBADRP CC[C@@H](F)C[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001130085884 839577041 /nfs/dbraw/zinc/57/70/41/839577041.db2.gz BZQFNBGHDYOCCZ-KFWWJZLASA-N 2 0 356.446 -0.054 20 0 FBADRP CC[C@H](F)C[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001130085885 839577810 /nfs/dbraw/zinc/57/78/10/839577810.db2.gz BZQFNBGHDYOCCZ-ZNMIVQPWSA-N 2 0 356.446 -0.054 20 0 FBADRP COCCC[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001130085925 839577258 /nfs/dbraw/zinc/57/72/58/839577258.db2.gz DPYVSWMZHFNRIF-CABCVRRESA-N 2 0 354.455 -0.766 20 0 FBADRP C[NH+](C)CCOCC(=O)N1C[C@@H]([NH2+]CC2CCC2)[C@@H](n2ccnn2)C1 ZINC001130085945 839577941 /nfs/dbraw/zinc/57/79/41/839577941.db2.gz FKQUUUOGNLJWAU-CVEARBPZSA-N 2 0 350.467 -0.002 20 0 FBADRP C[NH+](C)CCOCC(=O)N1C[C@@H]([NH2+]C/C=C/Cl)[C@@H](n2ccnn2)C1 ZINC001130086034 839577795 /nfs/dbraw/zinc/57/77/95/839577795.db2.gz IJBXJRVHNBYIHT-JKWAOEONSA-N 2 0 356.858 -0.050 20 0 FBADRP C[NH+](C)CCOCC(=O)N1C[C@@H]([NH2+]C/C=C\Cl)[C@@H](n2ccnn2)C1 ZINC001130086035 839578034 /nfs/dbraw/zinc/57/80/34/839578034.db2.gz IJBXJRVHNBYIHT-TYHIMRJMSA-N 2 0 356.858 -0.050 20 0 FBADRP COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001130086053 839577968 /nfs/dbraw/zinc/57/79/68/839577968.db2.gz JCBOJTDDILZJFZ-KFWWJZLASA-N 2 0 354.455 -0.767 20 0 FBADRP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001130086054 839577998 /nfs/dbraw/zinc/57/79/98/839577998.db2.gz JCBOJTDDILZJFZ-ZNMIVQPWSA-N 2 0 354.455 -0.767 20 0 FBADRP CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001130086088 839577605 /nfs/dbraw/zinc/57/76/05/839577605.db2.gz KVFMKNCCYFQTMV-KFWWJZLASA-N 2 0 354.455 -0.767 20 0 FBADRP CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001130086089 839577294 /nfs/dbraw/zinc/57/72/94/839577294.db2.gz KVFMKNCCYFQTMV-ZNMIVQPWSA-N 2 0 354.455 -0.767 20 0 FBADRP C[NH+](C)CCOCC(=O)N1C[C@@H]([NH2+]CCC2CC2)[C@@H](n2ccnn2)C1 ZINC001130086095 839577744 /nfs/dbraw/zinc/57/77/44/839577744.db2.gz LFYBXIBCQDFHGX-CVEARBPZSA-N 2 0 350.467 -0.002 20 0 FBADRP C[C@@H](F)CC[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001130086119 839577116 /nfs/dbraw/zinc/57/71/16/839577116.db2.gz MCMNBQPOECQTKX-KFWWJZLASA-N 2 0 356.446 -0.054 20 0 FBADRP C[C@H](F)CC[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001130086120 839578027 /nfs/dbraw/zinc/57/80/27/839578027.db2.gz MCMNBQPOECQTKX-ZNMIVQPWSA-N 2 0 356.446 -0.054 20 0 FBADRP COCCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130086321 839577237 /nfs/dbraw/zinc/57/72/37/839577237.db2.gz VYFUHJGBGOUSBC-OAGGEKHMSA-N 2 0 350.467 -0.002 20 0 FBADRP COCCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130086322 839577124 /nfs/dbraw/zinc/57/71/24/839577124.db2.gz VYFUHJGBGOUSBC-XHSDSOJGSA-N 2 0 350.467 -0.002 20 0 FBADRP CCOCC[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001130086387 839577947 /nfs/dbraw/zinc/57/79/47/839577947.db2.gz ZBENOTBTRKUARS-CABCVRRESA-N 2 0 354.455 -0.766 20 0 FBADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1n1ccnn1)C(N)=O ZINC001130094697 839579567 /nfs/dbraw/zinc/57/95/67/839579567.db2.gz PWDPTSDPIOZGLW-MCIONIFRSA-N 2 0 351.455 -0.775 20 0 FBADRP C[C@H]([NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1n1ccnn1)C(N)=O ZINC001130094698 839579628 /nfs/dbraw/zinc/57/96/28/839579628.db2.gz PWDPTSDPIOZGLW-MJBXVCDLSA-N 2 0 351.455 -0.775 20 0 FBADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001130094886 839580306 /nfs/dbraw/zinc/58/03/06/839580306.db2.gz VGUNIOPDAKCBNS-KGLIPLIRSA-N 2 0 351.455 -0.903 20 0 FBADRP CCC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CC(=O)NC)[C@@H](n2ccnn2)C1 ZINC001130096608 839579349 /nfs/dbraw/zinc/57/93/49/839579349.db2.gz MHQIIIJWSMTDQC-KGLIPLIRSA-N 2 0 351.455 -0.903 20 0 FBADRP CCC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+][C@H](C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001130096662 839580098 /nfs/dbraw/zinc/58/00/98/839580098.db2.gz OWGYCQRPWMYOEA-MCIONIFRSA-N 2 0 351.455 -0.775 20 0 FBADRP CCC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+][C@@H](C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001130096663 839579714 /nfs/dbraw/zinc/57/97/14/839579714.db2.gz OWGYCQRPWMYOEA-MJBXVCDLSA-N 2 0 351.455 -0.775 20 0 FBADRP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+][C@H](C)C(=O)NC)[C@@H](n2ccnn2)C1 ZINC001130107022 839581485 /nfs/dbraw/zinc/58/14/85/839581485.db2.gz DZBAHCHOZSUKFA-MCIONIFRSA-N 2 0 351.455 -0.904 20 0 FBADRP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+][C@@H](C)C(=O)NC)[C@@H](n2ccnn2)C1 ZINC001130107023 839580927 /nfs/dbraw/zinc/58/09/27/839580927.db2.gz DZBAHCHOZSUKFA-MJBXVCDLSA-N 2 0 351.455 -0.904 20 0 FBADRP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]C[C@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001130107412 839581221 /nfs/dbraw/zinc/58/12/21/839581221.db2.gz PEMUMCXOIXCKAW-OAGGEKHMSA-N 2 0 350.467 -0.002 20 0 FBADRP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]C[C@@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001130107413 839581608 /nfs/dbraw/zinc/58/16/08/839581608.db2.gz PEMUMCXOIXCKAW-XHSDSOJGSA-N 2 0 350.467 -0.002 20 0 FBADRP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+][C@H](CC)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001130107681 839581756 /nfs/dbraw/zinc/58/17/56/839581756.db2.gz VJJOFQAXLOITDQ-MCIONIFRSA-N 2 0 351.455 -0.775 20 0 FBADRP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+][C@@H](CC)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001130107682 839581637 /nfs/dbraw/zinc/58/16/37/839581637.db2.gz VJJOFQAXLOITDQ-MJBXVCDLSA-N 2 0 351.455 -0.775 20 0 FBADRP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CC(=O)N(C)C)[C@@H](n2ccnn2)C1 ZINC001130107707 839580774 /nfs/dbraw/zinc/58/07/74/839580774.db2.gz WYTBFQUMABWLCZ-KGLIPLIRSA-N 2 0 351.455 -0.950 20 0 FBADRP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CC(=O)NCC)[C@@H](n2ccnn2)C1 ZINC001130107749 839581345 /nfs/dbraw/zinc/58/13/45/839581345.db2.gz ZPBIHOZSMDRWLD-KGLIPLIRSA-N 2 0 351.455 -0.903 20 0 FBADRP CC(C)OCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130122917 839583491 /nfs/dbraw/zinc/58/34/91/839583491.db2.gz BMCAYPJSTIHGRS-OAGGEKHMSA-N 2 0 350.467 -0.004 20 0 FBADRP CC(C)OCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130122918 839583768 /nfs/dbraw/zinc/58/37/68/839583768.db2.gz BMCAYPJSTIHGRS-XHSDSOJGSA-N 2 0 350.467 -0.004 20 0 FBADRP CCOCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130123349 839583476 /nfs/dbraw/zinc/58/34/76/839583476.db2.gz OFTOURABXNXDMZ-OAGGEKHMSA-N 2 0 350.467 -0.002 20 0 FBADRP CCOCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130123350 839583559 /nfs/dbraw/zinc/58/35/59/839583559.db2.gz OFTOURABXNXDMZ-XHSDSOJGSA-N 2 0 350.467 -0.002 20 0 FBADRP COCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130123608 839583703 /nfs/dbraw/zinc/58/37/03/839583703.db2.gz VYXJZFMAWXLRIK-OAGGEKHMSA-N 2 0 350.467 -0.002 20 0 FBADRP COCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130123609 839583999 /nfs/dbraw/zinc/58/39/99/839583999.db2.gz VYXJZFMAWXLRIK-XHSDSOJGSA-N 2 0 350.467 -0.002 20 0 FBADRP C[C@@H](O)CCC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001130125413 839581724 /nfs/dbraw/zinc/58/17/24/839581724.db2.gz MWBZXDHAUXXXCX-OAGGEKHMSA-N 2 0 350.467 -0.124 20 0 FBADRP C[C@H](O)CCC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001130125414 839581102 /nfs/dbraw/zinc/58/11/02/839581102.db2.gz MWBZXDHAUXXXCX-XHSDSOJGSA-N 2 0 350.467 -0.124 20 0 FBADRP O=C(CCC[NH+]1CCCCC1)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001130125593 839582842 /nfs/dbraw/zinc/58/28/42/839582842.db2.gz VZIBLHYHRFTHOI-CVEARBPZSA-N 2 0 350.467 -0.122 20 0 FBADRP CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130136995 839584581 /nfs/dbraw/zinc/58/45/81/839584581.db2.gz CXSAPIATAUDEFP-MCIONIFRSA-N 2 0 351.455 -0.906 20 0 FBADRP CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130136996 839585294 /nfs/dbraw/zinc/58/52/94/839585294.db2.gz CXSAPIATAUDEFP-MJBXVCDLSA-N 2 0 351.455 -0.906 20 0 FBADRP O=C(CC[NH+]1CCCCC1)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001130137033 839585242 /nfs/dbraw/zinc/58/52/42/839585242.db2.gz FYIPMBSIHRQMDE-CVEARBPZSA-N 2 0 350.467 -0.122 20 0 FBADRP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130137185 839584913 /nfs/dbraw/zinc/58/49/13/839584913.db2.gz NBOISISQBBQAKH-KGLIPLIRSA-N 2 0 351.455 -0.904 20 0 FBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001130137224 839585128 /nfs/dbraw/zinc/58/51/28/839585128.db2.gz ODDBUASXSBTAEQ-OAGGEKHMSA-N 2 0 350.467 -0.124 20 0 FBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001130137225 839584863 /nfs/dbraw/zinc/58/48/63/839584863.db2.gz ODDBUASXSBTAEQ-PMPSAXMXSA-N 2 0 350.467 -0.124 20 0 FBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CC(=O)N(C)C)[C@@H](n2ccnn2)C1 ZINC001130137250 839584969 /nfs/dbraw/zinc/58/49/69/839584969.db2.gz PQEPTKAILISVQO-KGLIPLIRSA-N 2 0 351.455 -0.952 20 0 FBADRP CC[C@@H]([NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1n1ccnn1)C(N)=O ZINC001130137291 839585210 /nfs/dbraw/zinc/58/52/10/839585210.db2.gz ROQVSKSLLUWMQA-MCIONIFRSA-N 2 0 351.455 -0.776 20 0 FBADRP CC[C@H]([NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1n1ccnn1)C(N)=O ZINC001130137292 839584689 /nfs/dbraw/zinc/58/46/89/839584689.db2.gz ROQVSKSLLUWMQA-MJBXVCDLSA-N 2 0 351.455 -0.776 20 0 FBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH2+]C[C@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001130137400 839584829 /nfs/dbraw/zinc/58/48/29/839584829.db2.gz XLLWVYSCAKKHNU-OAGGEKHMSA-N 2 0 350.467 -0.004 20 0 FBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH2+]C[C@@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001130137401 839584890 /nfs/dbraw/zinc/58/48/90/839584890.db2.gz XLLWVYSCAKKHNU-XHSDSOJGSA-N 2 0 350.467 -0.004 20 0 FBADRP O=C(CCC[NH+]1CCCC1)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001130139894 839584667 /nfs/dbraw/zinc/58/46/67/839584667.db2.gz LHHYVIAPEHDDGT-CVEARBPZSA-N 2 0 350.467 -0.122 20 0 FBADRP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001130140086 839584766 /nfs/dbraw/zinc/58/47/66/839584766.db2.gz RQRNXWVGZXXPEA-OAGGEKHMSA-N 2 0 350.467 -0.124 20 0 FBADRP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001130140087 839584736 /nfs/dbraw/zinc/58/47/36/839584736.db2.gz RQRNXWVGZXXPEA-XHSDSOJGSA-N 2 0 350.467 -0.124 20 0 FBADRP O=C(CCCC[NH+]1CCCC1)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001130148528 839589232 /nfs/dbraw/zinc/58/92/32/839589232.db2.gz VMGONHUHKNNKAW-CVEARBPZSA-N 2 0 350.467 -0.122 20 0 FBADRP CC[C@H](C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCO)n[nH]1)[NH+](C)C ZINC001130221152 839607374 /nfs/dbraw/zinc/60/73/74/839607374.db2.gz XCQNOHOXFYXGDV-XQQFMLRXSA-N 2 0 354.455 -0.785 20 0 FBADRP C[NH+](C)CCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCO)[nH]1 ZINC001130232618 839609426 /nfs/dbraw/zinc/60/94/26/839609426.db2.gz LEDMKCRGDCELFO-STQMWFEESA-N 2 0 354.455 -0.783 20 0 FBADRP C[NH+](C)CCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCCO)[nH]1 ZINC001130234588 839609501 /nfs/dbraw/zinc/60/95/01/839609501.db2.gz CGWVPMLLMYRKMM-STQMWFEESA-N 2 0 354.455 -0.783 20 0 FBADRP C[C@@H](O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC[NH+](C)C)[nH]1 ZINC001130234620 839609530 /nfs/dbraw/zinc/60/95/30/839609530.db2.gz FCGJRNCXBVVNMB-AGIUHOORSA-N 2 0 354.455 -0.785 20 0 FBADRP C[C@H](O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC[NH+](C)C)[nH]1 ZINC001130234621 839609287 /nfs/dbraw/zinc/60/92/87/839609287.db2.gz FCGJRNCXBVVNMB-AVGNSLFASA-N 2 0 354.455 -0.785 20 0 FBADRP COCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC[NH+](C)C)[nH]1 ZINC001130234926 839608715 /nfs/dbraw/zinc/60/87/15/839608715.db2.gz PPVDFWDTWVSTOO-STQMWFEESA-N 2 0 354.455 -0.519 20 0 FBADRP CC[C@@H](C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCO)n[nH]1)[NH+](C)C ZINC001130238173 839611868 /nfs/dbraw/zinc/61/18/68/839611868.db2.gz XCQNOHOXFYXGDV-AVGNSLFASA-N 2 0 354.455 -0.785 20 0 FBADRP CC[NH+](CC)CC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCO)n[nH]1 ZINC001130242281 839611842 /nfs/dbraw/zinc/61/18/42/839611842.db2.gz PJGBJFNJUPLLAC-STQMWFEESA-N 2 0 354.455 -0.783 20 0 FBADRP CC[N@H+](C)CCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCO)[nH]1 ZINC001130244305 839610779 /nfs/dbraw/zinc/61/07/79/839610779.db2.gz FYVJQRQKNUOSNM-STQMWFEESA-N 2 0 354.455 -0.783 20 0 FBADRP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)COCC[NH+](C)C)[nH]1 ZINC001130247158 839610759 /nfs/dbraw/zinc/61/07/59/839610759.db2.gz WUBSPKDXKDAZCM-STQMWFEESA-N 2 0 354.455 -0.519 20 0 FBADRP C[N@@H+]1CC[C@@H](C(=O)NCc2nnc([C@H]3CCO[C@H]3C[NH2+]CCF)[nH]2)C1 ZINC001130249077 839611524 /nfs/dbraw/zinc/61/15/24/839611524.db2.gz ISZNPNHZFZBQLE-AGIUHOORSA-N 2 0 354.430 -0.196 20 0 FBADRP C[N@@H+]1CC[C@H](C(=O)NCc2nnc([C@H]3CCO[C@H]3C[NH2+]CCF)[nH]2)C1 ZINC001130249078 839611757 /nfs/dbraw/zinc/61/17/57/839611757.db2.gz ISZNPNHZFZBQLE-AVGNSLFASA-N 2 0 354.430 -0.196 20 0 FBADRP CCC[N@H+](C)CC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCO)n[nH]1 ZINC001130249277 839611120 /nfs/dbraw/zinc/61/11/20/839611120.db2.gz VEPSPBMFVPKJIV-STQMWFEESA-N 2 0 354.455 -0.783 20 0 FBADRP CC(C)[N@H+](C)CC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCO)n[nH]1 ZINC001130251289 839613090 /nfs/dbraw/zinc/61/30/90/839613090.db2.gz LOOUYDJIICCYNS-STQMWFEESA-N 2 0 354.455 -0.785 20 0 FBADRP CC[C@H](C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCO)CC1)[NH+](C)C ZINC001130293304 839616600 /nfs/dbraw/zinc/61/66/00/839616600.db2.gz STHMULWZJRQXNT-INMHGKMJSA-N 2 0 354.495 -0.206 20 0 FBADRP C[NH+](C)CCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCCO)CC1 ZINC001130298907 839617310 /nfs/dbraw/zinc/61/73/10/839617310.db2.gz LWPYWGVFROUZOD-QAPCUYQASA-N 2 0 354.495 -0.204 20 0 FBADRP C[NH+](C)CCCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCO)CC1 ZINC001130298933 839617618 /nfs/dbraw/zinc/61/76/18/839617618.db2.gz NDXMWRUOYQFTBQ-QAPCUYQASA-N 2 0 354.495 -0.204 20 0 FBADRP C[C@H](O)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CC[NH+](C)C)CC1 ZINC001130299054 839617590 /nfs/dbraw/zinc/61/75/90/839617590.db2.gz VCNLXBJHLTXOHE-JOQOYGCGSA-N 2 0 354.495 -0.206 20 0 FBADRP C[C@@H](O)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CC[NH+](C)C)CC1 ZINC001130299055 839617750 /nfs/dbraw/zinc/61/77/50/839617750.db2.gz VCNLXBJHLTXOHE-SIIHOXLZSA-N 2 0 354.495 -0.206 20 0 FBADRP CC[C@@H](C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCO)CC1)[NH+](C)C ZINC001130302257 839617470 /nfs/dbraw/zinc/61/74/70/839617470.db2.gz STHMULWZJRQXNT-VYDXJSESSA-N 2 0 354.495 -0.206 20 0 FBADRP CC[NH+](CC)CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCO)CC1 ZINC001130305202 839617361 /nfs/dbraw/zinc/61/73/61/839617361.db2.gz NNNGLFGEUNJOGN-QAPCUYQASA-N 2 0 354.495 -0.204 20 0 FBADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCO)CC1 ZINC001130305257 839617446 /nfs/dbraw/zinc/61/74/46/839617446.db2.gz PTHIWYCRXVUSBW-QAPCUYQASA-N 2 0 354.495 -0.204 20 0 FBADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCO)CC1 ZINC001130305285 839617798 /nfs/dbraw/zinc/61/77/98/839617798.db2.gz RFFZPBMDODLZQK-QAPCUYQASA-N 2 0 354.495 -0.204 20 0 FBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCO)CC1 ZINC001130307307 839617838 /nfs/dbraw/zinc/61/78/38/839617838.db2.gz OWYWDLGUCFXFIW-QAPCUYQASA-N 2 0 354.495 -0.206 20 0 FBADRP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCO)C1 ZINC001130602571 839631377 /nfs/dbraw/zinc/63/13/77/839631377.db2.gz JANLZXREKKNWMU-OFQRWUPVSA-N 2 0 355.458 -0.024 20 0 FBADRP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCO)C1 ZINC001130602572 839631867 /nfs/dbraw/zinc/63/18/67/839631867.db2.gz JANLZXREKKNWMU-SQWLQELKSA-N 2 0 355.458 -0.024 20 0 FBADRP CC[C@H](C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC(=O)NC)C1)[NH+](C)C ZINC001130614656 839631638 /nfs/dbraw/zinc/63/16/38/839631638.db2.gz AECLCCADKQOXPC-NWANDNLSSA-N 2 0 350.467 -0.610 20 0 FBADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC(N)=O)C1 ZINC001130622184 839633076 /nfs/dbraw/zinc/63/30/76/839633076.db2.gz VNZZPDBETUZVKY-GXTWGEPZSA-N 2 0 350.467 -0.480 20 0 FBADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001130654329 839634477 /nfs/dbraw/zinc/63/44/77/839634477.db2.gz GJOISLVYQABHNM-DZGCQCFKSA-N 2 0 350.467 -0.608 20 0 FBADRP C[C@H]([NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1c1cn(C)cn1)C(N)=O ZINC001130656902 839634132 /nfs/dbraw/zinc/63/41/32/839634132.db2.gz SJCZKISOTISZCE-KCQAQPDRSA-N 2 0 350.467 -0.480 20 0 FBADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1c1cn(C)cn1)C(N)=O ZINC001130656905 839634455 /nfs/dbraw/zinc/63/44/55/839634455.db2.gz SJCZKISOTISZCE-VNHYZAJKSA-N 2 0 350.467 -0.480 20 0 FBADRP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001130669210 839635284 /nfs/dbraw/zinc/63/52/84/839635284.db2.gz ADRAYDTVESQMPC-DZGCQCFKSA-N 2 0 350.467 -0.608 20 0 FBADRP CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001130669289 839635813 /nfs/dbraw/zinc/63/58/13/839635813.db2.gz DRZWWJXGTKUWPC-DZGCQCFKSA-N 2 0 350.467 -0.656 20 0 FBADRP CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001130669509 839635291 /nfs/dbraw/zinc/63/52/91/839635291.db2.gz FWEOJMKLBQQPQN-KCQAQPDRSA-N 2 0 350.467 -0.610 20 0 FBADRP CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001130669510 839635378 /nfs/dbraw/zinc/63/53/78/839635378.db2.gz FWEOJMKLBQQPQN-VNHYZAJKSA-N 2 0 350.467 -0.610 20 0 FBADRP Cn1cnc([C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2[NH2+]CCS(C)(=O)=O)c1 ZINC001130669542 839635329 /nfs/dbraw/zinc/63/53/29/839635329.db2.gz GKVACSRYJRTZQO-DZGCQCFKSA-N 2 0 371.507 -0.700 20 0 FBADRP CC[C@@H]([NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cn(C)cn1)C(N)=O ZINC001130669871 839635788 /nfs/dbraw/zinc/63/57/88/839635788.db2.gz LDHPGPJYEZUBFS-GZBFAFLISA-N 2 0 350.467 -0.480 20 0 FBADRP CC[C@H]([NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cn(C)cn1)C(N)=O ZINC001130669872 839635496 /nfs/dbraw/zinc/63/54/96/839635496.db2.gz LDHPGPJYEZUBFS-KCQAQPDRSA-N 2 0 350.467 -0.480 20 0 FBADRP Cn1cnc([C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2[NH2+]CCOCCO)c1 ZINC001130670328 839635386 /nfs/dbraw/zinc/63/53/86/839635386.db2.gz XWBPVGMGUXTZNV-GOEBONIOSA-N 2 0 353.467 -0.735 20 0 FBADRP COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001130670455 839635723 /nfs/dbraw/zinc/63/57/23/839635723.db2.gz ZDMZAPKEYVASTQ-IJEWVQPXSA-N 2 0 353.467 -0.737 20 0 FBADRP COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001130670456 839635542 /nfs/dbraw/zinc/63/55/42/839635542.db2.gz ZDMZAPKEYVASTQ-OFQRWUPVSA-N 2 0 353.467 -0.737 20 0 FBADRP CC[C@@H](C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC(=O)NC)C1)[NH+](C)C ZINC001130674679 839635415 /nfs/dbraw/zinc/63/54/15/839635415.db2.gz AECLCCADKQOXPC-CFVMTHIKSA-N 2 0 350.467 -0.610 20 0 FBADRP CC[NH+](CC)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001130695297 839636440 /nfs/dbraw/zinc/63/64/40/839636440.db2.gz LQPQDDWBCBGMJG-KCQAQPDRSA-N 2 0 350.467 -0.480 20 0 FBADRP CC[NH+](CC)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001130695298 839636579 /nfs/dbraw/zinc/63/65/79/839636579.db2.gz LQPQDDWBCBGMJG-VNHYZAJKSA-N 2 0 350.467 -0.480 20 0 FBADRP CC[NH+](CC)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC(=O)NC)C1 ZINC001130695332 839636528 /nfs/dbraw/zinc/63/65/28/839636528.db2.gz NIOCOOWZOXCEAS-DZGCQCFKSA-N 2 0 350.467 -0.608 20 0 FBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC(=O)NC)C1 ZINC001130706383 839636479 /nfs/dbraw/zinc/63/64/79/839636479.db2.gz CFSXAGQKWWCTCU-DZGCQCFKSA-N 2 0 350.467 -0.608 20 0 FBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001130706858 839636396 /nfs/dbraw/zinc/63/63/96/839636396.db2.gz XLFUNUVFFIRBNG-KCQAQPDRSA-N 2 0 350.467 -0.480 20 0 FBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001130706859 839636768 /nfs/dbraw/zinc/63/67/68/839636768.db2.gz XLFUNUVFFIRBNG-VNHYZAJKSA-N 2 0 350.467 -0.480 20 0 FBADRP COCC[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001130712607 839637355 /nfs/dbraw/zinc/63/73/55/839637355.db2.gz CPXQZIFEEXGUQM-GOEBONIOSA-N 2 0 353.467 -0.471 20 0 FBADRP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001130712841 839637971 /nfs/dbraw/zinc/63/79/71/839637971.db2.gz OKAPGMRDENWGEB-IJEWVQPXSA-N 2 0 353.467 -0.737 20 0 FBADRP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001130712842 839637385 /nfs/dbraw/zinc/63/73/85/839637385.db2.gz OKAPGMRDENWGEB-OFQRWUPVSA-N 2 0 353.467 -0.737 20 0 FBADRP Cn1cnc([C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2[NH2+]CCCO)c1 ZINC001130713033 839638135 /nfs/dbraw/zinc/63/81/35/839638135.db2.gz ZPMCCGWCKPMFKW-GOEBONIOSA-N 2 0 353.467 -0.735 20 0 FBADRP Cn1cnc([C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001130714693 839637891 /nfs/dbraw/zinc/63/78/91/839637891.db2.gz HNBMTOOJMPZNAT-DZGCQCFKSA-N 2 0 350.467 -0.479 20 0 FBADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC(N)=O)C1 ZINC001130717188 839637823 /nfs/dbraw/zinc/63/78/23/839637823.db2.gz FKBPIEJGSLLUFT-DZGCQCFKSA-N 2 0 350.467 -0.479 20 0 FBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001130719190 839637876 /nfs/dbraw/zinc/63/78/76/839637876.db2.gz BWRBCOLTAMXNCL-KCQAQPDRSA-N 2 0 350.467 -0.480 20 0 FBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001130719191 839637645 /nfs/dbraw/zinc/63/76/45/839637645.db2.gz BWRBCOLTAMXNCL-VNHYZAJKSA-N 2 0 350.467 -0.480 20 0 FBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC(=O)NC)C1 ZINC001130719325 839637730 /nfs/dbraw/zinc/63/77/30/839637730.db2.gz JPIVZOCCLQBYHB-DZGCQCFKSA-N 2 0 350.467 -0.608 20 0 FBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001130734214 839639000 /nfs/dbraw/zinc/63/90/00/839639000.db2.gz IQRYANVUTGUBNU-KCQAQPDRSA-N 2 0 350.467 -0.482 20 0 FBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001130734215 839639231 /nfs/dbraw/zinc/63/92/31/839639231.db2.gz IQRYANVUTGUBNU-VNHYZAJKSA-N 2 0 350.467 -0.482 20 0 FBADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130736733 839639307 /nfs/dbraw/zinc/63/93/07/839639307.db2.gz LTMOZDFIEKHBQY-DZGCQCFKSA-N 2 0 350.467 -0.610 20 0 FBADRP CC[C@H](C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCO)O2)n[nH]1)[NH+](C)C ZINC001130790083 839650137 /nfs/dbraw/zinc/65/01/37/839650137.db2.gz GVVAEVTYVISSMV-YNEHKIRRSA-N 2 0 354.455 -0.437 20 0 FBADRP COCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CC[NH+](C)C)n2)O1 ZINC001130802146 839651486 /nfs/dbraw/zinc/65/14/86/839651486.db2.gz FGNYKSSSWAHUOI-QWHCGFSZSA-N 2 0 354.455 -0.171 20 0 FBADRP C[C@@H](O)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CC[NH+](C)C)n2)O1 ZINC001130802356 839651327 /nfs/dbraw/zinc/65/13/27/839651327.db2.gz PTIRQXZRXRLRBD-FRRDWIJNSA-N 2 0 354.455 -0.437 20 0 FBADRP C[C@H](O)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CC[NH+](C)C)n2)O1 ZINC001130802357 839651525 /nfs/dbraw/zinc/65/15/25/839651525.db2.gz PTIRQXZRXRLRBD-RWMBFGLXSA-N 2 0 354.455 -0.437 20 0 FBADRP C[NH+](C)CCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCCO)O2)n[nH]1 ZINC001130804733 839649891 /nfs/dbraw/zinc/64/98/91/839649891.db2.gz NHUINYJCKJQSQD-QWHCGFSZSA-N 2 0 354.455 -0.435 20 0 FBADRP C[NH+](C)CCCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCO)O2)n[nH]1 ZINC001130804812 839649996 /nfs/dbraw/zinc/64/99/96/839649996.db2.gz OYFQPSOQXGNVAF-QWHCGFSZSA-N 2 0 354.455 -0.435 20 0 FBADRP CC[C@@H](C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCO)O2)n[nH]1)[NH+](C)C ZINC001130809093 839651865 /nfs/dbraw/zinc/65/18/65/839651865.db2.gz GVVAEVTYVISSMV-RWMBFGLXSA-N 2 0 354.455 -0.437 20 0 FBADRP CC[NH+](CC)CC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCO)O2)n[nH]1 ZINC001130811857 839651252 /nfs/dbraw/zinc/65/12/52/839651252.db2.gz OFCDNHDIBFPWOL-QWHCGFSZSA-N 2 0 354.455 -0.435 20 0 FBADRP CC[N@H+](C)CCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCO)O2)n[nH]1 ZINC001130813574 839653282 /nfs/dbraw/zinc/65/32/82/839653282.db2.gz RRMZQMSTZLEUKR-QWHCGFSZSA-N 2 0 354.455 -0.435 20 0 FBADRP CCC[N@H+](C)CC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCO)O2)n[nH]1 ZINC001130815969 839652291 /nfs/dbraw/zinc/65/22/91/839652291.db2.gz IGUAHAOVHYHKLZ-QWHCGFSZSA-N 2 0 354.455 -0.435 20 0 FBADRP CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)COCC[NH+](C)C)n2)O1 ZINC001130816329 839653124 /nfs/dbraw/zinc/65/31/24/839653124.db2.gz RKXMRAUCZBTIGW-QWHCGFSZSA-N 2 0 354.455 -0.171 20 0 FBADRP C[N@@H+]1CC[C@@H](C(=O)NCc2nc([C@H]3CC[C@@H](C[NH2+]CCO)O3)n[nH]2)C1 ZINC001130817290 839652543 /nfs/dbraw/zinc/65/25/43/839652543.db2.gz KITBAQCZWWLSQG-FRRDWIJNSA-N 2 0 352.439 -0.825 20 0 FBADRP C[N@@H+]1CC[C@H](C(=O)NCc2nc([C@H]3CC[C@@H](C[NH2+]CCO)O3)n[nH]2)C1 ZINC001130817291 839652385 /nfs/dbraw/zinc/65/23/85/839652385.db2.gz KITBAQCZWWLSQG-RWMBFGLXSA-N 2 0 352.439 -0.825 20 0 FBADRP CC(C)[N@H+](C)CC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCO)O2)n[nH]1 ZINC001130819923 839652588 /nfs/dbraw/zinc/65/25/88/839652588.db2.gz KQZVDQOUJCUOCE-QWHCGFSZSA-N 2 0 354.455 -0.437 20 0 FBADRP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCO)C1 ZINC001131003977 839664315 /nfs/dbraw/zinc/66/43/15/839664315.db2.gz VUHUPLVDMUGJFO-QLFBSQMISA-N 2 0 355.458 -0.024 20 0 FBADRP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCO)C1 ZINC001131003978 839664347 /nfs/dbraw/zinc/66/43/47/839664347.db2.gz VUHUPLVDMUGJFO-RBSFLKMASA-N 2 0 355.458 -0.024 20 0 FBADRP CC[C@H](C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC(=O)NC)C1)[NH+](C)C ZINC001131014871 839665695 /nfs/dbraw/zinc/66/56/95/839665695.db2.gz JADNXLRJFCSQSN-MGPQQGTHSA-N 2 0 350.467 -0.610 20 0 FBADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC(N)=O)C1 ZINC001131020400 839665642 /nfs/dbraw/zinc/66/56/42/839665642.db2.gz UHZJSOPCRLFDKR-CHWSQXEVSA-N 2 0 350.467 -0.480 20 0 FBADRP C[C@H]([NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1c1cncn1C)C(N)=O ZINC001131059889 839668505 /nfs/dbraw/zinc/66/85/05/839668505.db2.gz NZDIKSNBCTZDLL-BFHYXJOUSA-N 2 0 350.467 -0.480 20 0 FBADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1c1cncn1C)C(N)=O ZINC001131059890 839667888 /nfs/dbraw/zinc/66/78/88/839667888.db2.gz NZDIKSNBCTZDLL-MGPQQGTHSA-N 2 0 350.467 -0.480 20 0 FBADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1c1cncn1C ZINC001131059934 839667961 /nfs/dbraw/zinc/66/79/61/839667961.db2.gz PURDVFGUGKBZFN-ZIAGYGMSSA-N 2 0 350.467 -0.608 20 0 FBADRP Cn1cncc1[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]CCOCCO ZINC001131061386 839668080 /nfs/dbraw/zinc/66/80/80/839668080.db2.gz BAXGNXJXOVGWMT-HUUCEWRRSA-N 2 0 353.467 -0.735 20 0 FBADRP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cncn1C ZINC001131061394 839668165 /nfs/dbraw/zinc/66/81/65/839668165.db2.gz BJRCZTXEHCMFIT-ZIAGYGMSSA-N 2 0 350.467 -0.608 20 0 FBADRP CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cncn1C ZINC001131061437 839668492 /nfs/dbraw/zinc/66/84/92/839668492.db2.gz DOEBNSDYPJLWQV-ZIAGYGMSSA-N 2 0 350.467 -0.656 20 0 FBADRP Cn1cncc1[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]CCS(C)(=O)=O ZINC001131061608 839668123 /nfs/dbraw/zinc/66/81/23/839668123.db2.gz HUVSIPMGTLLDMY-ZIAGYGMSSA-N 2 0 371.507 -0.700 20 0 FBADRP COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cncn1C ZINC001131062060 839667882 /nfs/dbraw/zinc/66/78/82/839667882.db2.gz TZWHPNPEQXALFI-RBSFLKMASA-N 2 0 353.467 -0.737 20 0 FBADRP COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cncn1C ZINC001131062061 839668548 /nfs/dbraw/zinc/66/85/48/839668548.db2.gz TZWHPNPEQXALFI-RRFJBIMHSA-N 2 0 353.467 -0.737 20 0 FBADRP CC[C@H]([NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cncn1C)C(N)=O ZINC001131067927 839667940 /nfs/dbraw/zinc/66/79/40/839667940.db2.gz BMYDHDVYUXMDTE-HZSPNIEDSA-N 2 0 350.467 -0.480 20 0 FBADRP CC[C@@H]([NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cncn1C)C(N)=O ZINC001131067928 839668475 /nfs/dbraw/zinc/66/84/75/839668475.db2.gz BMYDHDVYUXMDTE-MGPQQGTHSA-N 2 0 350.467 -0.480 20 0 FBADRP CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cncn1C ZINC001131068104 839667988 /nfs/dbraw/zinc/66/79/88/839667988.db2.gz MFHKIDRLMPKAGY-BFHYXJOUSA-N 2 0 350.467 -0.610 20 0 FBADRP CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cncn1C ZINC001131068105 839668519 /nfs/dbraw/zinc/66/85/19/839668519.db2.gz MFHKIDRLMPKAGY-MGPQQGTHSA-N 2 0 350.467 -0.610 20 0 FBADRP CC[C@@H](C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC(=O)NC)C1)[NH+](C)C ZINC001131072098 839667787 /nfs/dbraw/zinc/66/77/87/839667787.db2.gz JADNXLRJFCSQSN-MCIONIFRSA-N 2 0 350.467 -0.610 20 0 FBADRP CC[NH+](CC)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC(=O)NC)C1 ZINC001131089628 839669459 /nfs/dbraw/zinc/66/94/59/839669459.db2.gz QUGNSZJQRQKQCF-ZIAGYGMSSA-N 2 0 350.467 -0.608 20 0 FBADRP CC[NH+](CC)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001131091897 839669569 /nfs/dbraw/zinc/66/95/69/839669569.db2.gz VYDPQQXADOHWCU-BFHYXJOUSA-N 2 0 350.467 -0.480 20 0 FBADRP CC[NH+](CC)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001131091898 839669404 /nfs/dbraw/zinc/66/94/04/839669404.db2.gz VYDPQQXADOHWCU-MGPQQGTHSA-N 2 0 350.467 -0.480 20 0 FBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001131101013 839670434 /nfs/dbraw/zinc/67/04/34/839670434.db2.gz ISKFJFKWZBYMJU-BFHYXJOUSA-N 2 0 350.467 -0.480 20 0 FBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001131101014 839670962 /nfs/dbraw/zinc/67/09/62/839670962.db2.gz ISKFJFKWZBYMJU-MGPQQGTHSA-N 2 0 350.467 -0.480 20 0 FBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC(=O)NC)C1 ZINC001131101338 839670598 /nfs/dbraw/zinc/67/05/98/839670598.db2.gz WEHRSJHYHUJQGX-ZIAGYGMSSA-N 2 0 350.467 -0.608 20 0 FBADRP Cn1cncc1[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1[NH2+]CCCO ZINC001131107837 839670419 /nfs/dbraw/zinc/67/04/19/839670419.db2.gz BUWHWUNZBUDZII-HUUCEWRRSA-N 2 0 353.467 -0.735 20 0 FBADRP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1c1cncn1C ZINC001131107856 839670720 /nfs/dbraw/zinc/67/07/20/839670720.db2.gz CPLVECJSVFPCPL-RBSFLKMASA-N 2 0 353.467 -0.737 20 0 FBADRP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1c1cncn1C ZINC001131107857 839671120 /nfs/dbraw/zinc/67/11/20/839671120.db2.gz CPLVECJSVFPCPL-RRFJBIMHSA-N 2 0 353.467 -0.737 20 0 FBADRP COCC[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1c1cncn1C ZINC001131108324 839670641 /nfs/dbraw/zinc/67/06/41/839670641.db2.gz PNQJIHPGUMZJEJ-HUUCEWRRSA-N 2 0 353.467 -0.471 20 0 FBADRP Cn1cncc1[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1[NH2+]CC(N)=O ZINC001131110272 839670814 /nfs/dbraw/zinc/67/08/14/839670814.db2.gz KDVQBUCZIKEMSA-ZIAGYGMSSA-N 2 0 350.467 -0.479 20 0 FBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC(=O)NC)C1 ZINC001131115211 839672119 /nfs/dbraw/zinc/67/21/19/839672119.db2.gz DKTKPMJHLRAULN-ZIAGYGMSSA-N 2 0 350.467 -0.608 20 0 FBADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC(N)=O)C1 ZINC001131115544 839671069 /nfs/dbraw/zinc/67/10/69/839671069.db2.gz RJPMZXXENRNRLY-ZIAGYGMSSA-N 2 0 350.467 -0.479 20 0 FBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001131115661 839670552 /nfs/dbraw/zinc/67/05/52/839670552.db2.gz SIVONRJOIHELDS-BFHYXJOUSA-N 2 0 350.467 -0.480 20 0 FBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001131115662 839670856 /nfs/dbraw/zinc/67/08/56/839670856.db2.gz SIVONRJOIHELDS-MGPQQGTHSA-N 2 0 350.467 -0.480 20 0 FBADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1c1cncn1C ZINC001131127937 839672054 /nfs/dbraw/zinc/67/20/54/839672054.db2.gz MWNSZGJNBCLIJX-ZIAGYGMSSA-N 2 0 350.467 -0.610 20 0 FBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001131130167 839673516 /nfs/dbraw/zinc/67/35/16/839673516.db2.gz BUCHVRYFIXFFPO-BFHYXJOUSA-N 2 0 350.467 -0.482 20 0 FBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001131130168 839673109 /nfs/dbraw/zinc/67/31/09/839673109.db2.gz BUCHVRYFIXFFPO-MGPQQGTHSA-N 2 0 350.467 -0.482 20 0 FBADRP CNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001131464396 839684566 /nfs/dbraw/zinc/68/45/66/839684566.db2.gz PTFWGWAAXUYRQW-INMHGKMJSA-N 2 0 352.479 -0.188 20 0 FBADRP CNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001131464397 839684705 /nfs/dbraw/zinc/68/47/05/839684705.db2.gz PTFWGWAAXUYRQW-VYDXJSESSA-N 2 0 352.479 -0.188 20 0 FBADRP C[NH+](C)CC1(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CC(N)=O)CC2)CC1 ZINC001131549865 839691697 /nfs/dbraw/zinc/69/16/97/839691697.db2.gz CKSNUJXSHFRVQO-ZBFHGGJFSA-N 2 0 352.479 -0.201 20 0 FBADRP C[NH+](C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOCCO)CC1 ZINC001131564187 839692601 /nfs/dbraw/zinc/69/26/01/839692601.db2.gz FSKPARONBKVASM-AEFFLSMTSA-N 2 0 357.495 -0.067 20 0 FBADRP COC[C@@H](O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001131564490 839692027 /nfs/dbraw/zinc/69/20/27/839692027.db2.gz LSKRATSUPPFXAR-JZXOWHBKSA-N 2 0 357.495 -0.069 20 0 FBADRP COC[C@H](O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001131564491 839692433 /nfs/dbraw/zinc/69/24/33/839692433.db2.gz LSKRATSUPPFXAR-NUJGCVRESA-N 2 0 357.495 -0.069 20 0 FBADRP C[NH+](C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@@H]2CCNC2=O)CC1 ZINC001131564751 839692421 /nfs/dbraw/zinc/69/24/21/839692421.db2.gz UJGSPSWTZRRNIU-INMHGKMJSA-N 2 0 352.479 -0.188 20 0 FBADRP C[NH+](C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@H]2CCNC2=O)CC1 ZINC001131564752 839691769 /nfs/dbraw/zinc/69/17/69/839691769.db2.gz UJGSPSWTZRRNIU-VYDXJSESSA-N 2 0 352.479 -0.188 20 0 FBADRP C[NH+](C)CCOCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(N)=O)CC1 ZINC001131593043 839692972 /nfs/dbraw/zinc/69/29/72/839692972.db2.gz JMRGSUNBQJLBKX-PBHICJAKSA-N 2 0 356.467 -0.964 20 0 FBADRP C[NH+](C)CCOCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCO)CC1 ZINC001131593118 839693177 /nfs/dbraw/zinc/69/31/77/839693177.db2.gz MUSWEQQCEBGFFV-AEFFLSMTSA-N 2 0 357.495 -0.067 20 0 FBADRP C[C@@H](O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001131593350 839693530 /nfs/dbraw/zinc/69/35/30/839693530.db2.gz ZQQWMEODPKATPI-KYJSFNMBSA-N 2 0 357.495 -0.069 20 0 FBADRP C[C@H](O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001131593351 839693520 /nfs/dbraw/zinc/69/35/20/839693520.db2.gz ZQQWMEODPKATPI-LESCRADOSA-N 2 0 357.495 -0.069 20 0 FBADRP CNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001131604683 839694718 /nfs/dbraw/zinc/69/47/18/839694718.db2.gz BHWYLWAMADNVST-QAPCUYQASA-N 2 0 352.479 -0.186 20 0 FBADRP CNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001131604749 839694641 /nfs/dbraw/zinc/69/46/41/839694641.db2.gz FHTTWJXKWOMSKY-INMHGKMJSA-N 2 0 352.479 -0.330 20 0 FBADRP CNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001131604750 839694663 /nfs/dbraw/zinc/69/46/63/839694663.db2.gz FHTTWJXKWOMSKY-UXLLHSPISA-N 2 0 352.479 -0.330 20 0 FBADRP C[N@@H+]1C[C@H](C(=O)NCC[NH2+]CCNS(C)(=O)=O)[C@@H](c2ccccc2)C1 ZINC001134126506 839728356 /nfs/dbraw/zinc/72/83/56/839728356.db2.gz VGRGVSGYEUTNLY-CVEARBPZSA-N 2 0 368.503 -0.413 20 0 FBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CC[N@@H+]2CC[C@@H](F)C2)cn1 ZINC001136833653 839789350 /nfs/dbraw/zinc/78/93/50/839789350.db2.gz YREGGXCFBFPORR-CYBMUJFWSA-N 2 0 354.430 -0.067 20 0 FBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CC[N@@H+]2CC[C@H](F)C2)cn1 ZINC001136833654 839788875 /nfs/dbraw/zinc/78/88/75/839788875.db2.gz YREGGXCFBFPORR-ZDUSSCGKSA-N 2 0 354.430 -0.067 20 0 FBADRP C[N@H+](CC(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1)[C@@H]1CCC[C@H]1O ZINC001137769483 843657391 /nfs/dbraw/zinc/65/73/91/843657391.db2.gz CEBUOWSFBDXTRJ-HZPDHXFCSA-N 2 0 355.479 -0.483 20 0 FBADRP Cc1cn(CC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c(=O)[nH]c1=O ZINC001142316844 843709597 /nfs/dbraw/zinc/70/95/97/843709597.db2.gz CGMJQALWEGWZLB-UHFFFAOYSA-N 2 0 353.467 -0.011 20 0 FBADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)C1C[NH+](C)C1)CC2 ZINC001142594755 836536946 /nfs/dbraw/zinc/53/69/46/836536946.db2.gz XDJGPSXQFKQAAJ-UHFFFAOYSA-N 2 0 351.495 -0.755 20 0 FBADRP CC(=O)C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001142702737 843717306 /nfs/dbraw/zinc/71/73/06/843717306.db2.gz KEZMFJGECCFQJE-IICXDKKESA-N 2 0 359.467 -0.129 20 0 FBADRP CC(=O)C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001142702738 843716346 /nfs/dbraw/zinc/71/63/46/843716346.db2.gz KEZMFJGECCFQJE-RDUHTLEXSA-N 2 0 359.467 -0.129 20 0 FBADRP CC(=O)C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001142702739 843717226 /nfs/dbraw/zinc/71/72/26/843717226.db2.gz KEZMFJGECCFQJE-UNPMEBSKSA-N 2 0 359.467 -0.129 20 0 FBADRP CC(=O)C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001142702740 843716898 /nfs/dbraw/zinc/71/68/98/843716898.db2.gz KEZMFJGECCFQJE-YOPIWALVSA-N 2 0 359.467 -0.129 20 0 FBADRP COCC(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001142822719 843718002 /nfs/dbraw/zinc/71/80/02/843718002.db2.gz IBWUGNYMAXVCDV-IICXDKKESA-N 2 0 361.483 -0.072 20 0 FBADRP COCC(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001142822720 843718124 /nfs/dbraw/zinc/71/81/24/843718124.db2.gz IBWUGNYMAXVCDV-RDUHTLEXSA-N 2 0 361.483 -0.072 20 0 FBADRP COCC(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001142822721 843718306 /nfs/dbraw/zinc/71/83/06/843718306.db2.gz IBWUGNYMAXVCDV-UNPMEBSKSA-N 2 0 361.483 -0.072 20 0 FBADRP COCC(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001142822722 843718088 /nfs/dbraw/zinc/71/80/88/843718088.db2.gz IBWUGNYMAXVCDV-YOPIWALVSA-N 2 0 361.483 -0.072 20 0 FBADRP C[NH+]1CCC(C(=O)N(Cc2noc3c2C[NH2+]CC3)S(C)(=O)=O)CC1 ZINC001143306514 843727465 /nfs/dbraw/zinc/72/74/65/843727465.db2.gz CZHIAYIZJALCIW-UHFFFAOYSA-N 2 0 356.448 -0.050 20 0 FBADRP CN(CC(=O)N(c1ncccc1F)[C@H]1CO[C@]2(CC[NH2+]C2)C1)C(N)=[NH2+] ZINC001144130081 839827901 /nfs/dbraw/zinc/82/79/01/839827901.db2.gz JDLMKLLCRYLAST-BDJLRTHQSA-N 2 0 350.398 -0.100 20 0 FBADRP CN(CC(=O)N(c1ncccc1F)[C@H]1CO[C@@]2(CC[NH2+]C2)C1)C(N)=[NH2+] ZINC001144130278 839827911 /nfs/dbraw/zinc/82/79/11/839827911.db2.gz JDLMKLLCRYLAST-BZNIZROVSA-N 2 0 350.398 -0.100 20 0 FBADRP CN(CC(=O)N(c1ncccc1F)[C@@H]1CO[C@]2(CC[NH2+]C2)C1)C(N)=[NH2+] ZINC001144130279 839827562 /nfs/dbraw/zinc/82/75/62/839827562.db2.gz JDLMKLLCRYLAST-MEDUHNTESA-N 2 0 350.398 -0.100 20 0 FBADRP CN(CC(=O)N(c1ncccc1F)[C@@H]1CO[C@@]2(CC[NH2+]C2)C1)C(N)=[NH2+] ZINC001144130280 839827347 /nfs/dbraw/zinc/82/73/47/839827347.db2.gz JDLMKLLCRYLAST-ZBEGNZNMSA-N 2 0 350.398 -0.100 20 0 FBADRP CN(CC(=O)N1CCCn2cnc(COCC[NH+](C)C)c2C1)C(N)=[NH2+] ZINC001144132412 839826798 /nfs/dbraw/zinc/82/67/98/839826798.db2.gz QASFTQMBJJXNTL-UHFFFAOYSA-N 2 0 351.455 -0.481 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)CC1 ZINC001144579562 839877569 /nfs/dbraw/zinc/87/75/69/839877569.db2.gz PNLYKCHDFCXQDT-HZPDHXFCSA-N 2 0 354.495 -0.156 20 0 FBADRP CCN(CC)CCN(C(N)=[NH2+])C(=O)[C@@H]1N2C(=O)C[C@H]2S(=O)(=O)C1(C)C ZINC001146266001 839913406 /nfs/dbraw/zinc/91/34/06/839913406.db2.gz XQUAIKWOXRXDNH-NEPJUHHUSA-N 2 0 373.479 -0.816 20 0 FBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cc2n(n1)CCNC2=O ZINC001147546196 839930717 /nfs/dbraw/zinc/93/07/17/839930717.db2.gz VVTZNZBBUYAZES-UHFFFAOYSA-N 2 0 350.467 -0.028 20 0 FBADRP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001147582729 839932568 /nfs/dbraw/zinc/93/25/68/839932568.db2.gz DKMKKVBFNSARPB-FRRDWIJNSA-N 2 0 351.451 -0.556 20 0 FBADRP C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001147582730 839932791 /nfs/dbraw/zinc/93/27/91/839932791.db2.gz DKMKKVBFNSARPB-JHJVBQTASA-N 2 0 351.451 -0.556 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[NH+](CCOCCO)CCCO2)CC[N@@H+]1C ZINC001149733290 843734683 /nfs/dbraw/zinc/73/46/83/843734683.db2.gz AKOKZNNLVGLJLY-IXDOHACOSA-N 2 0 357.495 -0.067 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[NH+](CCOCCO)CCCO2)CC[N@@H+]1C ZINC001149733294 843734505 /nfs/dbraw/zinc/73/45/05/843734505.db2.gz AKOKZNNLVGLJLY-YESZJQIVSA-N 2 0 357.495 -0.067 20 0 FBADRP C[N@H+](CC(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1)[C@@H]1CCC[C@H]1O ZINC001151860527 843757864 /nfs/dbraw/zinc/75/78/64/843757864.db2.gz FVPHTVOTQSGFSE-BZUAXINKSA-N 2 0 352.479 -0.403 20 0 FBADRP C[N@H+](CC(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1)[C@@H]1CCC[C@H]1O ZINC001151860528 843757559 /nfs/dbraw/zinc/75/75/59/843757559.db2.gz FVPHTVOTQSGFSE-OWCLPIDISA-N 2 0 352.479 -0.403 20 0 FBADRP CC[N@H+](CCN1C(=O)CNC1=O)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153492083 843774261 /nfs/dbraw/zinc/77/42/61/843774261.db2.gz SIWNIKQOPUACOW-MGPQQGTHSA-N 2 0 353.467 -0.295 20 0 FBADRP C[C@@H](CN1CC[NH2+]CC1)Nc1nc(S(C)(=O)=O)nc2c1CC[NH2+]CC2 ZINC001154748317 843794499 /nfs/dbraw/zinc/79/44/99/843794499.db2.gz WUYJOGBOYLJMHE-LBPRGKRZSA-N 2 0 368.507 -0.726 20 0 FBADRP COC(=O)[C@@H](Nc1nc(S(C)(=O)=O)nc2c1CC[NH2+]CC2)C(C)(C)[NH3+] ZINC001155360782 843806038 /nfs/dbraw/zinc/80/60/38/843806038.db2.gz CQEHHNUEQHSFJN-LLVKDONJSA-N 2 0 371.463 -0.741 20 0 FBADRP CS(=O)(=O)c1nc2c(c(N[C@@H]3COCCC34C[NH2+]C4)n1)CC[NH2+]CC2 ZINC001155461595 843809206 /nfs/dbraw/zinc/80/92/06/843809206.db2.gz FIPXOTGANCHGTC-CYBMUJFWSA-N 2 0 367.475 -0.641 20 0 FBADRP CS(=O)(=O)c1nc2c(c(N[C@H]3COCCC34C[NH2+]C4)n1)CC[NH2+]CC2 ZINC001155461596 843808395 /nfs/dbraw/zinc/80/83/95/843808395.db2.gz FIPXOTGANCHGTC-ZDUSSCGKSA-N 2 0 367.475 -0.641 20 0 FBADRP CS(=O)(=O)c1nc2c(c(NC[C@@H]3CO[C@@H]4C[NH2+]C[C@H]34)n1)CC[NH2+]CC2 ZINC001155480154 843808594 /nfs/dbraw/zinc/80/85/94/843808594.db2.gz QLWGDFKSWRBZTB-MPKXVKKWSA-N 2 0 367.475 -0.785 20 0 FBADRP CS(=O)(=O)c1nc2c(c(NC[C@]34C[NH2+]C[C@H]3COC4)n1)CC[NH2+]CC2 ZINC001155509931 843808678 /nfs/dbraw/zinc/80/86/78/843808678.db2.gz MSCLXDXHTNSJHX-ZBEGNZNMSA-N 2 0 367.475 -0.784 20 0 FBADRP CS(=O)(=O)c1nc2c(c(NC[C@@]34C[NH2+][C@@H](CO3)C4)n1)CC[NH2+]CC2 ZINC001155537185 843809591 /nfs/dbraw/zinc/80/95/91/843809591.db2.gz CYLDKISWWAGFAD-MEBBXXQBSA-N 2 0 353.448 -0.889 20 0 FBADRP CS(=O)(=O)c1nc2c(c(N[C@H]3CC[C@@H]4C[NH2+]C[C@@H]43)n1)CC[NH2+]CC2 ZINC001155581630 843812089 /nfs/dbraw/zinc/81/20/89/843812089.db2.gz UAPFCMJALNFVBJ-WXHSDQCUSA-N 2 0 351.476 -0.022 20 0 FBADRP CS(=O)(=O)c1nc2c(c(N[C@H]3C[NH2+][C@@H]4CCO[C@@H]43)n1)CC[NH2+]CC2 ZINC001155637105 843812488 /nfs/dbraw/zinc/81/24/88/843812488.db2.gz SFGAHIFUHNTHJG-AGIUHOORSA-N 2 0 353.448 -0.891 20 0 FBADRP C[NH+](C)C[C@@]12C[C@@H]1CN(c1nc(S(C)(=O)=O)nc3c1CC[NH2+]CC3)C2 ZINC001156375491 843821900 /nfs/dbraw/zinc/82/19/00/843821900.db2.gz DJGQNNKMXLNKJS-SJKOYZFVSA-N 2 0 365.503 -0.044 20 0 FBADRP CS(=O)(=O)c1nc2c(c(NC(=[NH2+])NCCCC[NH3+])n1)CC[NH2+]CC2 ZINC001157093894 839466657 /nfs/dbraw/zinc/46/66/57/839466657.db2.gz HNPVBURQSLPVLO-UHFFFAOYSA-N 3 0 355.468 -0.757 20 0 FBADRP [NH2+]=C(NCCCC[NH3+])Nc1ncccc1S(=O)(=O)N1CCOCC1 ZINC001157096799 843834247 /nfs/dbraw/zinc/83/42/47/843834247.db2.gz MUDSFWKRTXOFEA-UHFFFAOYSA-N 2 0 356.452 -0.222 20 0 FBADRP [NH2+]=C(NCCCC[NH3+])Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 ZINC001157099263 843834279 /nfs/dbraw/zinc/83/42/79/843834279.db2.gz NESGPQBGMILJMZ-UHFFFAOYSA-N 2 0 356.452 -0.222 20 0 FBADRP [NH2+]=C(NCCCC[NH3+])Nc1ccc(C(=O)N2CCS(=O)(=O)CC2)cn1 ZINC001157099265 843834449 /nfs/dbraw/zinc/83/44/49/843834449.db2.gz NGMYYBGNEVRLSF-UHFFFAOYSA-N 2 0 368.463 -0.373 20 0 FBADRP COC(=O)[C@@H](CCC[NH3+])Nc1nc(S(C)(=O)=O)nc2c1CC[NH2+]CC2 ZINC001157115044 843834499 /nfs/dbraw/zinc/83/44/99/843834499.db2.gz UMNOQGUBFHUGTE-GFCCVEGCSA-N 2 0 371.463 -0.739 20 0 FBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1 ZINC001157323194 843839612 /nfs/dbraw/zinc/83/96/12/843839612.db2.gz DDWKQXGKQDYFHQ-IHRRRGAJSA-N 2 0 353.467 -0.911 20 0 FBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC001157324344 843839931 /nfs/dbraw/zinc/83/99/31/843839931.db2.gz WRSKZEGFUMWOCA-HOCLYGCPSA-N 3 0 353.511 -0.190 20 0 FBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC001157324345 843839383 /nfs/dbraw/zinc/83/93/83/843839383.db2.gz WRSKZEGFUMWOCA-ZBFHGGJFSA-N 3 0 353.511 -0.190 20 0 FBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CO)N(C)Cc1ccccc1 ZINC001157336368 843839627 /nfs/dbraw/zinc/83/96/27/843839627.db2.gz NXJUPWVPYHMNMW-HOTGVXAUSA-N 2 0 350.463 -0.161 20 0 FBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC001157337535 843839911 /nfs/dbraw/zinc/83/99/11/843839911.db2.gz XLJQDGWMZQQOEY-JYJNAYRXSA-N 2 0 350.463 -0.333 20 0 FBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)c1csc(N2CC[NH2+]CC2)n1 ZINC001157344083 843839922 /nfs/dbraw/zinc/83/99/22/843839922.db2.gz DLUGVSLQDYKNQI-NSHDSACASA-N 2 0 354.480 -0.474 20 0 FBADRP Cn1cncc1C[C@H]([NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCCC1 ZINC001157368048 843841066 /nfs/dbraw/zinc/84/10/66/843841066.db2.gz AJKVUQAFNJSACJ-GJZGRUSLSA-N 2 0 350.467 -0.474 20 0 FBADRP [NH3+]CCCC[C@H](NC(=O)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1)C(=O)N1CCCC1 ZINC001157371044 843841173 /nfs/dbraw/zinc/84/11/73/843841173.db2.gz MUTRYOZKQISWOQ-YHUYYLMFSA-N 2 0 352.479 -0.010 20 0 FBADRP [NH3+]CCCC[C@H](NC(=O)C1=NO[C@@]2(CC[NH2+]C2)C1)C(=O)N1CCCC1 ZINC001157371047 843840864 /nfs/dbraw/zinc/84/08/64/843840864.db2.gz MXNIBHIPFLMDAR-GUYCJALGSA-N 2 0 351.451 -0.269 20 0 FBADRP [NH3+]CCCC[C@H](NC(=O)C1=NO[C@]2(CC[NH2+]C2)C1)C(=O)N1CCCC1 ZINC001157371048 843840786 /nfs/dbraw/zinc/84/07/86/843840786.db2.gz MXNIBHIPFLMDAR-SUMWQHHRSA-N 2 0 351.451 -0.269 20 0 FBADRP [NH3+]CCCC[C@H](NC(=O)[C@H]1C[C@H]2C[NH2+]CC[C@@H]2O1)C(=O)N1CCCC1 ZINC001157371049 843840399 /nfs/dbraw/zinc/84/03/99/843840399.db2.gz MZGAASZGRZAQFA-YHUYYLMFSA-N 2 0 352.479 -0.010 20 0 FBADRP CCOC(=O)C1(C(=O)N[C@@H](CCCC[NH3+])C(=O)N2CCCC2)C[NH2+]C1 ZINC001157371226 843840872 /nfs/dbraw/zinc/84/08/72/843840872.db2.gz QBRATNJPQLTOKC-ZDUSSCGKSA-N 2 0 354.451 -0.625 20 0 FBADRP [NH3+]CCCC[C@H](NC(=O)C[C@H]1C[C@H]2C[NH2+]C[C@H]2O1)C(=O)N1CCCC1 ZINC001157371420 843840543 /nfs/dbraw/zinc/84/05/43/843840543.db2.gz UGLFBFXPFSBWSY-XUWVNRHRSA-N 2 0 352.479 -0.010 20 0 FBADRP CC(=O)NCSC[C@H]([NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCCC1 ZINC001157371735 843840767 /nfs/dbraw/zinc/84/07/67/843840767.db2.gz YLLVTFVSXXIUMX-KBPBESRZSA-N 2 0 373.523 -0.623 20 0 FBADRP [NH3+]CCCC[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2)C(=O)N1CCCC1 ZINC001157371766 843841140 /nfs/dbraw/zinc/84/11/40/843841140.db2.gz YWJLFKDJXZBOBK-RVKKMQEKSA-N 3 0 351.495 -0.578 20 0 FBADRP CC(=O)O[C@H]1C[NH2+]C[C@H]1C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCCC1 ZINC001157378559 843841090 /nfs/dbraw/zinc/84/10/90/843841090.db2.gz CPIAQVWDMKXXRZ-ILXRZTDVSA-N 2 0 354.451 -0.626 20 0 FBADRP CC(=O)O[C@H]1C[NH2+]C[C@@H]1C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCCC1 ZINC001157378561 843840412 /nfs/dbraw/zinc/84/04/12/843840412.db2.gz CPIAQVWDMKXXRZ-KKUMJFAQSA-N 2 0 354.451 -0.626 20 0 FBADRP CC(=O)O[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCCC1 ZINC001157378562 843840607 /nfs/dbraw/zinc/84/06/07/843840607.db2.gz CPIAQVWDMKXXRZ-QLFBSQMISA-N 2 0 354.451 -0.626 20 0 FBADRP CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCCC1 ZINC001157378564 843840646 /nfs/dbraw/zinc/84/06/46/843840646.db2.gz CPIAQVWDMKXXRZ-SOUVJXGZSA-N 2 0 354.451 -0.626 20 0 FBADRP [NH3+]CCCC[C@H](NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)C(=O)N1CCCC1 ZINC001157378932 843840588 /nfs/dbraw/zinc/84/05/88/843840588.db2.gz GOSALMFZQTUUTF-KBPBESRZSA-N 2 0 353.467 -0.909 20 0 FBADRP [NH3+]CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCCC1 ZINC001157379275 843840745 /nfs/dbraw/zinc/84/07/45/843840745.db2.gz JZPMJJRUQKSKIB-KBPBESRZSA-N 2 0 353.467 -0.828 20 0 FBADRP CN(CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC001157379595 843840490 /nfs/dbraw/zinc/84/04/90/843840490.db2.gz ODFQKZSQYWZMDJ-CVEARBPZSA-N 2 0 353.511 -0.094 20 0 FBADRP CN(CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCCC1)[C@H]1CCC[NH2+]C1 ZINC001157379597 843841054 /nfs/dbraw/zinc/84/10/54/843841054.db2.gz ODFQKZSQYWZMDJ-HOTGVXAUSA-N 2 0 353.511 -0.094 20 0 FBADRP C[NH2+][C@@H]1CCCN(CC(=O)N[C@@H](CCCC[NH3+])C(=O)N2CCCC2)C1 ZINC001157379610 843840913 /nfs/dbraw/zinc/84/09/13/843840913.db2.gz OFSQSHCHCKPUEI-CVEARBPZSA-N 2 0 353.511 -0.094 20 0 FBADRP C[NH2+][C@H]1CCCN(CC(=O)N[C@@H](CCCC[NH3+])C(=O)N2CCCC2)C1 ZINC001157379612 843840690 /nfs/dbraw/zinc/84/06/90/843840690.db2.gz OFSQSHCHCKPUEI-HOTGVXAUSA-N 2 0 353.511 -0.094 20 0 FBADRP [NH3+]CCCC[C@H](NC(=O)[C@@H]1C[NH2+]C[C@@H]2CCO[C@@H]21)C(=O)N1CCCC1 ZINC001157380090 843840353 /nfs/dbraw/zinc/84/03/53/843840353.db2.gz VAMCDSFKCACYPM-FZKCQIBNSA-N 2 0 352.479 -0.153 20 0 FBADRP [NH3+]CCCC[C@H](NC(=O)[C@@H]1C[NH2+]C[C@H]2CCO[C@H]21)C(=O)N1CCCC1 ZINC001157380091 843840678 /nfs/dbraw/zinc/84/06/78/843840678.db2.gz VAMCDSFKCACYPM-LVQVYYBASA-N 2 0 352.479 -0.153 20 0 FBADRP [NH3+]CCCC[C@H](NC(=O)[C@@H]1C[NH2+]C[C@H]2CCO[C@@H]21)C(=O)N1CCCC1 ZINC001157380092 843841123 /nfs/dbraw/zinc/84/11/23/843841123.db2.gz VAMCDSFKCACYPM-WCVJEAGWSA-N 2 0 352.479 -0.153 20 0 FBADRP [NH3+]CCCC[C@H](NC(=O)[C@@H]1C[NH2+]C[C@@H]2CCO[C@H]21)C(=O)N1CCCC1 ZINC001157380093 843840946 /nfs/dbraw/zinc/84/09/46/843840946.db2.gz VAMCDSFKCACYPM-XUWVNRHRSA-N 2 0 352.479 -0.153 20 0 FBADRP CC(=N)N(Cc1cccc(C[NH3+])c1)C(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001157413916 843840620 /nfs/dbraw/zinc/84/06/20/843840620.db2.gz RNKXLYVTJRZCLP-UHFFFAOYSA-N 2 0 355.464 -0.309 20 0 FBADRP Cn1ccnc1CCNC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001157422280 839479233 /nfs/dbraw/zinc/47/92/33/839479233.db2.gz LHBOISHGNWJKEK-KBPBESRZSA-N 2 0 350.467 -0.474 20 0 FBADRP O=C(NCCNC(=O)C(F)(F)Br)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001157431909 843841984 /nfs/dbraw/zinc/84/19/84/843841984.db2.gz BBWFXMFVDOQUDV-SSDOTTSWSA-N 2 0 355.183 -0.985 20 0 FBADRP O=C(NCCNC(=O)C(F)(F)Br)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001157431910 839478857 /nfs/dbraw/zinc/47/88/57/839478857.db2.gz BBWFXMFVDOQUDV-ZETCQYMHSA-N 2 0 355.183 -0.985 20 0 FBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NCCNC(=O)C(F)(F)Br ZINC001157432346 843841681 /nfs/dbraw/zinc/84/16/81/843841681.db2.gz ALSUOVNKQDYWOZ-LURJTMIESA-N 2 0 363.228 -0.774 20 0 FBADRP O=C(NCCNC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2)C(F)(F)Br ZINC001157432355 843841640 /nfs/dbraw/zinc/84/16/40/843841640.db2.gz DWTYAXXHZXARQI-LDYMZIIASA-N 2 0 369.210 -0.594 20 0 FBADRP [NH3+][C@@H](C(=O)NCCNC(=O)C(F)(F)Br)C1CC[NH2+]CC1 ZINC001157434653 843841441 /nfs/dbraw/zinc/84/14/41/843841441.db2.gz QLKKBZLQGDGRFH-MRVPVSSYSA-N 2 0 357.199 -0.467 20 0 FBADRP [NH3+][C@H](C(=O)NCCNC(=O)C(F)(F)Br)C1CC[NH2+]CC1 ZINC001157434654 843842370 /nfs/dbraw/zinc/84/23/70/843842370.db2.gz QLKKBZLQGDGRFH-QMMMGPOBSA-N 2 0 357.199 -0.467 20 0 FBADRP O=C(NCCNC(=O)C(F)(F)Br)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001157435671 843842517 /nfs/dbraw/zinc/84/25/17/843842517.db2.gz UZEZTYJEYWMYKJ-BIIVOSGPSA-N 2 0 355.183 -0.844 20 0 FBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NCCNC(=O)C(F)(F)Br ZINC001157436105 843842267 /nfs/dbraw/zinc/84/22/67/843842267.db2.gz YQPUSHCXWYOGJS-QMMMGPOBSA-N 2 0 359.215 -0.077 20 0 FBADRP CCOC(=O)CC1([NH3+])CCN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)CC1 ZINC001157448653 843842336 /nfs/dbraw/zinc/84/23/36/843842336.db2.gz DWENUMIVZQJBEM-AWEZNQCLSA-N 3 0 355.483 -0.990 20 0 FBADRP CCOC(=O)CC1([NH3+])CCN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CC1 ZINC001157448654 843842013 /nfs/dbraw/zinc/84/20/13/843842013.db2.gz DWENUMIVZQJBEM-CQSZACIVSA-N 3 0 355.483 -0.990 20 0 FBADRP CCOC(=O)CC1([NH3+])CCN(C(=O)CN2CCCC[C@H]([NH3+])C2=O)CC1 ZINC001157448816 843843004 /nfs/dbraw/zinc/84/30/04/843843004.db2.gz KYEJUSYZWVHDDK-ZDUSSCGKSA-N 2 0 354.451 -0.401 20 0 FBADRP CCOC(=O)CC1([NH3+])CCN(C(=O)[C@H](CC(C)C)NC(=O)C[NH3+])CC1 ZINC001157449129 843842983 /nfs/dbraw/zinc/84/29/83/843842983.db2.gz SLEHOEXVRKKSLE-ZDUSSCGKSA-N 2 0 356.467 -0.251 20 0 FBADRP CCOC(=O)CC1([NH3+])CCN(C(=O)[C@H](CCCC[NH3+])NC(C)=O)CC1 ZINC001157449345 843843479 /nfs/dbraw/zinc/84/34/79/843843479.db2.gz YNOPSRHCAPSOFE-AWEZNQCLSA-N 2 0 356.467 -0.107 20 0 FBADRP O=C([C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001157496834 843843172 /nfs/dbraw/zinc/84/31/72/843843172.db2.gz IZGGURWDHNFRCP-CABCVRRESA-N 2 0 350.463 -0.290 20 0 FBADRP O=C([C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001157496835 843843525 /nfs/dbraw/zinc/84/35/25/843843525.db2.gz IZGGURWDHNFRCP-GJZGRUSLSA-N 2 0 350.463 -0.290 20 0 FBADRP O=C([C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001157496836 843843639 /nfs/dbraw/zinc/84/36/39/843843639.db2.gz IZGGURWDHNFRCP-HUUCEWRRSA-N 2 0 350.463 -0.290 20 0 FBADRP O=C([C@H]1CCCO1)N1CCN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC1 ZINC001157496837 843843440 /nfs/dbraw/zinc/84/34/40/843843440.db2.gz IZGGURWDHNFRCP-LSDHHAIUSA-N 2 0 350.463 -0.290 20 0 FBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCn2nc(C(F)(F)F)nc2C1 ZINC001157521295 843843732 /nfs/dbraw/zinc/84/37/32/843843732.db2.gz GLLONSDJEUQVLB-JTQLQIEISA-N 2 0 361.372 -0.611 20 0 FBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCn2nc(C(F)(F)F)nc2C1 ZINC001157521301 843843703 /nfs/dbraw/zinc/84/37/03/843843703.db2.gz GLLONSDJEUQVLB-SNVBAGLBSA-N 2 0 361.372 -0.611 20 0 FBADRP CSCC[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)N1C[C@@H](F)[C@@H]([NH3+])C1 ZINC001157545509 843844582 /nfs/dbraw/zinc/84/45/82/843844582.db2.gz UYETXSBYKFVWNM-RHYQMDGZSA-N 2 0 366.528 -0.188 20 0 FBADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC001157579080 843845217 /nfs/dbraw/zinc/84/52/17/843845217.db2.gz HZCLPUQZYGGFLK-UHFFFAOYSA-N 2 0 360.524 -0.069 20 0 FBADRP CC1([NH3+])CN(C(=O)c2cccc(S(=O)(=O)NC3CC[NH2+]CC3)c2)C1 ZINC001157665274 843845700 /nfs/dbraw/zinc/84/57/00/843845700.db2.gz DKOUPYBZILKZHU-UHFFFAOYSA-N 2 0 352.460 -0.110 20 0 FBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCOCC(F)(F)C1 ZINC001157708215 843845754 /nfs/dbraw/zinc/84/57/54/843845754.db2.gz JZOKIKDWQLRJGD-STQMWFEESA-N 2 0 362.421 -0.072 20 0 FBADRP CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F ZINC001157721088 843847121 /nfs/dbraw/zinc/84/71/21/843847121.db2.gz ULERGKTVZIZYJG-MNOVXSKESA-N 2 0 354.373 -0.391 20 0 FBADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F ZINC001157721089 843846788 /nfs/dbraw/zinc/84/67/88/843846788.db2.gz ULERGKTVZIZYJG-QWRGUYRKSA-N 2 0 354.373 -0.391 20 0 FBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1C[C@@H](F)C[C@H](CO)C1 ZINC001157729067 839492448 /nfs/dbraw/zinc/49/24/48/839492448.db2.gz CGUJGMJYFUDMAE-AJNGGQMLSA-N 2 0 358.458 -0.387 20 0 FBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1C[C@H](F)C[C@@H](CO)C1 ZINC001157729068 839492198 /nfs/dbraw/zinc/49/21/98/839492198.db2.gz CGUJGMJYFUDMAE-KBXIAJHMSA-N 2 0 358.458 -0.387 20 0 FBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1C[C@H](CO)C[C@H](F)C1 ZINC001157729069 839492265 /nfs/dbraw/zinc/49/22/65/839492265.db2.gz CGUJGMJYFUDMAE-QPSCCSFWSA-N 2 0 358.458 -0.387 20 0 FBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1C[C@H](F)C[C@H](CO)C1 ZINC001157729070 839492056 /nfs/dbraw/zinc/49/20/56/839492056.db2.gz CGUJGMJYFUDMAE-XGUBFFRZSA-N 2 0 358.458 -0.387 20 0 FBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H](F)C(=O)C1 ZINC001157729361 843846607 /nfs/dbraw/zinc/84/66/07/843846607.db2.gz ASPKYEBYFUEEFP-IHRRRGAJSA-N 2 0 356.442 -0.037 20 0 FBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H](F)C(=O)C1 ZINC001157729362 843846724 /nfs/dbraw/zinc/84/67/24/843846724.db2.gz ASPKYEBYFUEEFP-RDBSUJKOSA-N 2 0 356.442 -0.037 20 0 FBADRP [NH3+]C[C@]1(F)CCCN(C(=O)[C@H]2Cn3nnnc3C23CC[NH2+]CC3)CC1 ZINC001157729711 843847090 /nfs/dbraw/zinc/84/70/90/843847090.db2.gz GVTNLHNIUNFDQF-DOMZBBRYSA-N 2 0 351.430 -0.396 20 0 FBADRP [NH3+]C[C@@]1(F)CCCN(C(=O)[C@H]2Cn3nnnc3C23CC[NH2+]CC3)CC1 ZINC001157729717 843846733 /nfs/dbraw/zinc/84/67/33/843846733.db2.gz GVTNLHNIUNFDQF-IUODEOHRSA-N 2 0 351.430 -0.396 20 0 FBADRP [NH3+]C[C@@]1(F)CCCN(C(=O)[C@@H]2Cn3nnnc3C23CC[NH2+]CC3)CC1 ZINC001157729719 843846953 /nfs/dbraw/zinc/84/69/53/843846953.db2.gz GVTNLHNIUNFDQF-SWLSCSKDSA-N 2 0 351.430 -0.396 20 0 FBADRP [NH3+]C[C@]1(F)CCCN(C(=O)[C@@H]2Cn3nnnc3C23CC[NH2+]CC3)CC1 ZINC001157729720 843847133 /nfs/dbraw/zinc/84/71/33/843847133.db2.gz GVTNLHNIUNFDQF-WFASDCNBSA-N 2 0 351.430 -0.396 20 0 FBADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCC[C@@H](C[NH3+])[C@H]1C ZINC001157844669 843848823 /nfs/dbraw/zinc/84/88/23/843848823.db2.gz WXLMCEPSYKUJLD-CRWXNKLISA-N 2 0 353.467 -0.973 20 0 FBADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCC[C@H](C[NH3+])[C@H]1C ZINC001157844670 843849176 /nfs/dbraw/zinc/84/91/76/843849176.db2.gz WXLMCEPSYKUJLD-DGAVXFQQSA-N 2 0 353.467 -0.973 20 0 FBADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCC[C@H](C[NH3+])[C@@H]1C ZINC001157844671 843849336 /nfs/dbraw/zinc/84/93/36/843849336.db2.gz WXLMCEPSYKUJLD-FQUUOJAGSA-N 2 0 353.467 -0.973 20 0 FBADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001157844672 843849092 /nfs/dbraw/zinc/84/90/92/843849092.db2.gz WXLMCEPSYKUJLD-XUXIUFHCSA-N 2 0 353.467 -0.973 20 0 FBADRP C[NH+]1CCC(C[NH+]2CCN(c3ccc(S(N)(=O)=O)nn3)CC2)CC1 ZINC001157847959 843849247 /nfs/dbraw/zinc/84/92/47/843849247.db2.gz KOSOZRCQYSPXQM-UHFFFAOYSA-N 2 0 354.480 -0.412 20 0 FBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCCC(=O)[C@@H](F)C1 ZINC001157854275 843849074 /nfs/dbraw/zinc/84/90/74/843849074.db2.gz BZDSOGFNGJHYPB-IHRRRGAJSA-N 2 0 356.442 -0.037 20 0 FBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCCC(=O)[C@H](F)C1 ZINC001157854276 843849135 /nfs/dbraw/zinc/84/91/35/843849135.db2.gz BZDSOGFNGJHYPB-RDBSUJKOSA-N 2 0 356.442 -0.037 20 0 FBADRP O=C(N1CCN(c2nccnc2Cl)CC1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001157873258 843849207 /nfs/dbraw/zinc/84/92/07/843849207.db2.gz CKCIBHJALGRJFL-MLGOLLRUSA-N 2 0 350.854 -0.022 20 0 FBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCN(c2nccnc2Cl)CC1 ZINC001157877490 843848901 /nfs/dbraw/zinc/84/89/01/843848901.db2.gz FUYPCZXGMLAMMW-CYBMUJFWSA-N 2 0 367.885 -0.471 20 0 FBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCN(c2nccnc2Cl)CC1 ZINC001157877491 843849275 /nfs/dbraw/zinc/84/92/75/843849275.db2.gz FUYPCZXGMLAMMW-ZDUSSCGKSA-N 2 0 367.885 -0.471 20 0 FBADRP CCS(=O)(=O)N(c1ccc(N2CC[NH2+]CC2)nn1)C1CC[NH2+]CC1 ZINC001157892536 843850360 /nfs/dbraw/zinc/85/03/60/843850360.db2.gz YRNIDPVPQZXLHO-UHFFFAOYSA-N 2 0 354.480 -0.206 20 0 FBADRP CCS(=O)(=O)N(c1cncc(N2CC[NH2+]CC2)n1)C1CC[NH2+]CC1 ZINC001157895047 843849658 /nfs/dbraw/zinc/84/96/58/843849658.db2.gz QBWBKPKAOGIOHF-UHFFFAOYSA-N 2 0 354.480 -0.206 20 0 FBADRP C[C@@]1(O)CCN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])C[C@@H]1F ZINC001157900029 843849855 /nfs/dbraw/zinc/84/98/55/843849855.db2.gz DXXROZDIDMOCDU-AYMQEEERSA-N 2 0 358.458 -0.245 20 0 FBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCC[C@@H](C(F)(F)F)[C@H]1CO ZINC001157903235 843849777 /nfs/dbraw/zinc/84/97/77/843849777.db2.gz DSXIHCJIQZTUSP-FRRDWIJNSA-N 2 0 352.401 -0.101 20 0 FBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCC[C@@H](C(F)(F)F)[C@H]1CO ZINC001157903237 843850320 /nfs/dbraw/zinc/85/03/20/843850320.db2.gz DSXIHCJIQZTUSP-JHJVBQTASA-N 2 0 352.401 -0.101 20 0 FBADRP CN1CCN(C(=[NH2+])Nc2nc(S(C)(=O)=O)nc3c2CC[NH2+]CC3)CC1 ZINC001157910491 843849927 /nfs/dbraw/zinc/84/99/27/843849927.db2.gz HTXFYJDKADVMHF-UHFFFAOYSA-N 2 0 367.479 -0.838 20 0 FBADRP C[NH+]1CCN(C(=[NH2+])Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 ZINC001157916415 843850121 /nfs/dbraw/zinc/85/01/21/843850121.db2.gz XLRQPOSPCKKBSX-UHFFFAOYSA-N 2 0 368.463 -0.303 20 0 FBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@H](F)[C@](O)(C(F)(F)F)CC1 ZINC001157935003 843850875 /nfs/dbraw/zinc/85/08/75/843850875.db2.gz QAPDOCDWJRXXPB-OBJOEFQTSA-N 2 0 370.391 -0.009 20 0 FBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@@H](F)[C@@](O)(C(F)(F)F)CC1 ZINC001157935004 843851115 /nfs/dbraw/zinc/85/11/15/843851115.db2.gz QAPDOCDWJRXXPB-OUCADQQQSA-N 2 0 370.391 -0.009 20 0 FBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@@H](F)[C@](O)(C(F)(F)F)CC1 ZINC001157935005 843850767 /nfs/dbraw/zinc/85/07/67/843850767.db2.gz QAPDOCDWJRXXPB-SCRDCRAPSA-N 2 0 370.391 -0.009 20 0 FBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@H](F)[C@@](O)(C(F)(F)F)CC1 ZINC001157935006 843851071 /nfs/dbraw/zinc/85/10/71/843851071.db2.gz QAPDOCDWJRXXPB-SGMGOOAPSA-N 2 0 370.391 -0.009 20 0 FBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCNCC(F)(F)C1 ZINC001157943650 839617267 /nfs/dbraw/zinc/61/72/67/839617267.db2.gz DSSJLFZLIZENKA-STQMWFEESA-N 2 0 361.437 -0.499 20 0 FBADRP CS(=O)(=O)c1nc2c(c(-n3cc4c(n3)CC[C@@H]([NH3+])C4)n1)CC[NH2+]CC2 ZINC001157979312 843851743 /nfs/dbraw/zinc/85/17/43/843851743.db2.gz DMOLLFXFNGFAIA-LLVKDONJSA-N 2 0 362.459 -0.430 20 0 FBADRP CS(=O)(=O)c1nc2c(c(-n3cc4c(n3)CC[C@H]([NH3+])C4)n1)CC[NH2+]CC2 ZINC001157979314 843852372 /nfs/dbraw/zinc/85/23/72/843852372.db2.gz DMOLLFXFNGFAIA-NSHDSACASA-N 2 0 362.459 -0.430 20 0 FBADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001158031012 843853133 /nfs/dbraw/zinc/85/31/33/843853133.db2.gz DAHNCQQXDCRYSQ-INIZCTEOSA-N 2 0 360.524 -0.021 20 0 FBADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001158031013 843852679 /nfs/dbraw/zinc/85/26/79/843852679.db2.gz DAHNCQQXDCRYSQ-MRXNPFEDSA-N 2 0 360.524 -0.021 20 0 FBADRP O=C([C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158071076 843853913 /nfs/dbraw/zinc/85/39/13/843853913.db2.gz UARDFPZASGOFBD-AWEZNQCLSA-N 2 0 371.503 -0.618 20 0 FBADRP O=C([C@H]1C[NH2+]CC12CCS(=O)(=O)CC2)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158071077 843853397 /nfs/dbraw/zinc/85/33/97/843853397.db2.gz UARDFPZASGOFBD-CQSZACIVSA-N 2 0 371.503 -0.618 20 0 FBADRP C[N@@H+]1C[C@@H](C(=O)N2CCOC3(CC[NH2+]CC3)C2)OC2(CC[NH2+]CC2)C1 ZINC001158071078 843853603 /nfs/dbraw/zinc/85/36/03/843853603.db2.gz UCNCFTBRFPBFEU-HNNXBMFYSA-N 3 0 352.479 -0.580 20 0 FBADRP C[N@@H+]1C[C@H](C(=O)N2CCOC3(CC[NH2+]CC3)C2)OC2(CC[NH2+]CC2)C1 ZINC001158071079 843853559 /nfs/dbraw/zinc/85/35/59/843853559.db2.gz UCNCFTBRFPBFEU-OAHLLOKOSA-N 3 0 352.479 -0.580 20 0 FBADRP O=C([C@@H]1CCC[NH2+]1)N1CCC[C@H]1C(=O)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158076927 843853694 /nfs/dbraw/zinc/85/36/94/843853694.db2.gz QODAPEATNFTUSZ-GJZGRUSLSA-N 2 0 350.463 -0.290 20 0 FBADRP N[C@@H](CC(=O)OC1CCCCC1)C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158093526 843853939 /nfs/dbraw/zinc/85/39/39/843853939.db2.gz WSPMECYYCMVXQQ-GUYCJALGSA-N 2 0 352.435 -0.730 20 0 FBADRP N[C@@H](CC(=O)OC1CCCCC1)C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158093527 843853503 /nfs/dbraw/zinc/85/35/03/843853503.db2.gz WSPMECYYCMVXQQ-SUMWQHHRSA-N 2 0 352.435 -0.730 20 0 FBADRP CC(C)(C)OC(=O)CC[C@H]([NH3+])CC(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158094045 843853475 /nfs/dbraw/zinc/85/34/75/843853475.db2.gz ZWXOAYMRNBHPOR-SJCJKPOMSA-N 2 0 354.451 -0.484 20 0 FBADRP CC(C)(C)OC(=O)CC[C@H]([NH3+])CC(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158094047 843853761 /nfs/dbraw/zinc/85/37/61/843853761.db2.gz ZWXOAYMRNBHPOR-YVEFUNNKSA-N 2 0 354.451 -0.484 20 0 FBADRP [NH3+][C@@H](CC1CCCCC1)[C@@H](O)CC(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158101228 843853801 /nfs/dbraw/zinc/85/38/01/843853801.db2.gz HVPFSBFCUNRNSV-MPGHIAIKSA-N 2 0 352.479 -0.274 20 0 FBADRP [NH3+][C@@H](CC1CCCCC1)[C@@H](O)CC(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158101229 843853885 /nfs/dbraw/zinc/85/38/85/843853885.db2.gz HVPFSBFCUNRNSV-RLFYNMQTSA-N 2 0 352.479 -0.274 20 0 FBADRP CCC(C)(CC)OC(=O)C[C@H](N)C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158102915 843853534 /nfs/dbraw/zinc/85/35/34/843853534.db2.gz XZZMFTGFFIABPY-SJCJKPOMSA-N 2 0 354.451 -0.484 20 0 FBADRP CCC(C)(CC)OC(=O)C[C@H](N)C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158102916 843854011 /nfs/dbraw/zinc/85/40/11/843854011.db2.gz XZZMFTGFFIABPY-YVEFUNNKSA-N 2 0 354.451 -0.484 20 0 FBADRP O=C([C@@H]1CC[C@@H](C(F)(F)F)C[NH2+]1)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158111515 843854751 /nfs/dbraw/zinc/85/47/51/843854751.db2.gz OSRRQXIAKFFKCN-JRPNMDOOSA-N 2 0 360.380 -0.145 20 0 FBADRP O=C([C@@H]1CC[C@H](C(F)(F)F)C[NH2+]1)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158111516 843854225 /nfs/dbraw/zinc/85/42/25/843854225.db2.gz OSRRQXIAKFFKCN-PGUXBMHVSA-N 2 0 360.380 -0.145 20 0 FBADRP O=C([C@@H]1CC[C@@H](C(F)(F)F)C[NH2+]1)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158111517 843854769 /nfs/dbraw/zinc/85/47/69/843854769.db2.gz OSRRQXIAKFFKCN-ZETOZRRWSA-N 2 0 360.380 -0.145 20 0 FBADRP O=C([C@@H]1CC[C@H](C(F)(F)F)C[NH2+]1)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158111518 843854844 /nfs/dbraw/zinc/85/48/44/843854844.db2.gz OSRRQXIAKFFKCN-ZIBATOQPSA-N 2 0 360.380 -0.145 20 0 FBADRP O=C([C@H]1[NH2+]CCC[C@H]1C(F)(F)F)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158111674 843854193 /nfs/dbraw/zinc/85/41/93/843854193.db2.gz QCMTWBNHPUMESE-JRPNMDOOSA-N 2 0 360.380 -0.145 20 0 FBADRP O=C([C@H]1[NH2+]CCC[C@H]1C(F)(F)F)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158111675 843854554 /nfs/dbraw/zinc/85/45/54/843854554.db2.gz QCMTWBNHPUMESE-ZETOZRRWSA-N 2 0 360.380 -0.145 20 0 FBADRP C[NH2+][C@H](C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1)[C@@H](C)OC(C)(C)C ZINC001158118970 843854324 /nfs/dbraw/zinc/85/43/24/843854324.db2.gz FGDBCYQSDGFXSS-FHSNZYRGSA-N 2 0 352.479 -0.284 20 0 FBADRP C[NH2+][C@H](C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1)[C@@H](C)OC(C)(C)C ZINC001158118972 843854276 /nfs/dbraw/zinc/85/42/76/843854276.db2.gz FGDBCYQSDGFXSS-VBHSOAQHSA-N 2 0 352.479 -0.284 20 0 FBADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158121607 843854601 /nfs/dbraw/zinc/85/46/01/843854601.db2.gz VEDBQNSXDCUBGB-KBXCAEBGSA-N 3 0 351.495 -0.580 20 0 FBADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158121608 843854539 /nfs/dbraw/zinc/85/45/39/843854539.db2.gz VEDBQNSXDCUBGB-KSSFIOAISA-N 3 0 351.495 -0.580 20 0 FBADRP CO[C@H]([C@@H](C)C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1)[C@@H]1CCC[NH2+]1 ZINC001158122142 843854671 /nfs/dbraw/zinc/85/46/71/843854671.db2.gz YXXWGHISLGTBQZ-KYZVSKTDSA-N 2 0 350.463 -0.672 20 0 FBADRP CO[C@H]([C@@H](C)C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1)[C@@H]1CCC[NH2+]1 ZINC001158122143 843854164 /nfs/dbraw/zinc/85/41/64/843854164.db2.gz YXXWGHISLGTBQZ-NPSOMJIGSA-N 2 0 350.463 -0.672 20 0 FBADRP CC(C)(C)O[C@H]1C[NH2+][C@H](C(=O)N2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)C1 ZINC001158122180 843854242 /nfs/dbraw/zinc/85/42/42/843854242.db2.gz ZXDAIHLHLAWWCC-FHSNZYRGSA-N 2 0 350.463 -0.530 20 0 FBADRP CC(C)(C)O[C@H]1C[NH2+][C@H](C(=O)N2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)C1 ZINC001158122181 843854443 /nfs/dbraw/zinc/85/44/43/843854443.db2.gz ZXDAIHLHLAWWCC-VBHSOAQHSA-N 2 0 350.463 -0.530 20 0 FBADRP [NH3+][C@@H](CCCCNC(=O)C(F)(F)F)C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158178694 843854253 /nfs/dbraw/zinc/85/42/53/843854253.db2.gz APWXXYMSZQZAKH-GRYCIOLGSA-N 2 0 366.384 -0.391 20 0 FBADRP CCOC(=O)c1cc2n(n1)CCCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C2 ZINC001158191447 843855484 /nfs/dbraw/zinc/85/54/84/843855484.db2.gz QHIPLFPSIJITOM-LBPRGKRZSA-N 2 0 355.464 -0.189 20 0 FBADRP O=C([C@H]1COC2(C[NH2+]C2)CN1)N1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158238891 843856999 /nfs/dbraw/zinc/85/69/99/843856999.db2.gz ASWVATHTYPFYQS-NEPJUHHUSA-N 2 0 362.396 -0.008 20 0 FBADRP O=C([C@@H]1COC2(C[NH2+]C2)CN1)N1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158238892 843856736 /nfs/dbraw/zinc/85/67/36/843856736.db2.gz ASWVATHTYPFYQS-NWDGAFQWSA-N 2 0 362.396 -0.008 20 0 FBADRP O=C([C@@H]1COC2(C[NH2+]C2)CN1)N1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158238894 843857300 /nfs/dbraw/zinc/85/73/00/843857300.db2.gz ASWVATHTYPFYQS-RYUDHWBXSA-N 2 0 362.396 -0.008 20 0 FBADRP O=C([C@H]1COC2(C[NH2+]C2)CN1)N1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158238896 843857264 /nfs/dbraw/zinc/85/72/64/843857264.db2.gz ASWVATHTYPFYQS-VXGBXAGGSA-N 2 0 362.396 -0.008 20 0 FBADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158250985 843856795 /nfs/dbraw/zinc/85/67/95/843856795.db2.gz YDSMFMZJSRQKHF-DCAQKATOSA-N 2 0 366.384 -0.514 20 0 FBADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158250987 843857320 /nfs/dbraw/zinc/85/73/20/843857320.db2.gz YDSMFMZJSRQKHF-GARJFASQSA-N 2 0 366.384 -0.514 20 0 FBADRP CN(C)C(=O)C[NH2+]CCCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001158281743 843858177 /nfs/dbraw/zinc/85/81/77/843858177.db2.gz AVFPMSIDAODBLU-WBVHZDCISA-N 2 0 354.495 -0.083 20 0 FBADRP CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001158281896 843858087 /nfs/dbraw/zinc/85/80/87/843858087.db2.gz FOWKODZHSVOGFE-BMFZPTHFSA-N 2 0 354.495 -0.036 20 0 FBADRP CNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001158281897 843858098 /nfs/dbraw/zinc/85/80/98/843858098.db2.gz FOWKODZHSVOGFE-IMJJTQAJSA-N 2 0 354.495 -0.036 20 0 FBADRP CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001158281986 843857877 /nfs/dbraw/zinc/85/78/77/843857877.db2.gz HSZZJHJVYHPYJS-WBVHZDCISA-N 2 0 354.495 -0.035 20 0 FBADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCCC[NH2+][C@@H]2CCNC2=O)CC1 ZINC001158282234 843857843 /nfs/dbraw/zinc/85/78/43/843857843.db2.gz OHSPZJMNPDVHAM-OAGGEKHMSA-N 2 0 352.479 -0.282 20 0 FBADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCCC[NH2+][C@H]2CCNC2=O)CC1 ZINC001158282235 843858106 /nfs/dbraw/zinc/85/81/06/843858106.db2.gz OHSPZJMNPDVHAM-PMPSAXMXSA-N 2 0 352.479 -0.282 20 0 FBADRP COC[C@@H](O)C[NH2+]CCCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001158282293 843857734 /nfs/dbraw/zinc/85/77/34/843857734.db2.gz PSXMKHYWPWGIJB-BBWFWOEESA-N 2 0 357.495 -0.164 20 0 FBADRP COC[C@H](O)C[NH2+]CCCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001158282294 843857810 /nfs/dbraw/zinc/85/78/10/843857810.db2.gz PSXMKHYWPWGIJB-ZACQAIPSSA-N 2 0 357.495 -0.164 20 0 FBADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCCC[NH2+]CCOCCO)CC1 ZINC001158282672 843857610 /nfs/dbraw/zinc/85/76/10/843857610.db2.gz VDGULKGWEYXQHM-SJORKVTESA-N 2 0 357.495 -0.162 20 0 FBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158306658 843857897 /nfs/dbraw/zinc/85/78/97/843857897.db2.gz VQARPSWNMPIATG-XQLPTFJDSA-N 2 0 352.479 -0.060 20 0 FBADRP O=C([C@H]1CCS(=O)(=O)C12C[NH2+]C2)N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001158327384 843858326 /nfs/dbraw/zinc/85/83/26/843858326.db2.gz FUIJSZQBTUDMJC-ARFHVFGLSA-N 2 0 361.467 -0.139 20 0 FBADRP O=C([C@@H]1CCS(=O)(=O)C12C[NH2+]C2)N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001158327385 843858434 /nfs/dbraw/zinc/85/84/34/843858434.db2.gz FUIJSZQBTUDMJC-HRCADAONSA-N 2 0 361.467 -0.139 20 0 FBADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001158337252 843858347 /nfs/dbraw/zinc/85/83/47/843858347.db2.gz RNHUENFMMYGQDG-LSDHHAIUSA-N 2 0 352.460 -0.696 20 0 FBADRP Cc1nc2c([nH]1)CCN(C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)CC2 ZINC001158349538 843858766 /nfs/dbraw/zinc/85/87/66/843858766.db2.gz YLDKNZRIYICURO-LBPRGKRZSA-N 2 0 351.451 -0.096 20 0 FBADRP C[C@@H]1[C@H](C(=O)NCCC[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)CC[N@@H+]1C ZINC001158372751 843858654 /nfs/dbraw/zinc/85/86/54/843858654.db2.gz UKIDUBRQPBSCGC-QLFBSQMISA-N 2 0 360.524 -0.296 20 0 FBADRP C[C@@H]1[C@H](C(=O)NCCC[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)CC[N@@H+]1C ZINC001158372752 843858701 /nfs/dbraw/zinc/85/87/01/843858701.db2.gz UKIDUBRQPBSCGC-RBSFLKMASA-N 2 0 360.524 -0.296 20 0 FBADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@@H](N)CC[NH3+])C2 ZINC001158378951 843858981 /nfs/dbraw/zinc/85/89/81/843858981.db2.gz BICZBIIOESXOIL-BIMULSAOSA-N 2 0 352.357 -0.794 20 0 FBADRP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@@H](N)CC[NH3+])C2 ZINC001158378953 843858571 /nfs/dbraw/zinc/85/85/71/843858571.db2.gz BICZBIIOESXOIL-TVYUQYBPSA-N 2 0 352.357 -0.794 20 0 FBADRP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@@H](N)CC[NH3+])C2 ZINC001158378954 843859019 /nfs/dbraw/zinc/85/90/19/843859019.db2.gz BICZBIIOESXOIL-XDTLVQLUSA-N 2 0 352.357 -0.794 20 0 FBADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@@H](N)CC[NH3+])C2 ZINC001158378956 843859688 /nfs/dbraw/zinc/85/96/88/843859688.db2.gz BICZBIIOESXOIL-ZWKOPEQDSA-N 2 0 352.357 -0.794 20 0 FBADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)C[C@H]([NH3+])CO)C2 ZINC001158379164 843859901 /nfs/dbraw/zinc/85/99/01/843859901.db2.gz BOQFHGJKABLNPY-BIMULSAOSA-N 2 0 353.341 -0.760 20 0 FBADRP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)C[C@H]([NH3+])CO)C2 ZINC001158379165 843859552 /nfs/dbraw/zinc/85/95/52/843859552.db2.gz BOQFHGJKABLNPY-TVYUQYBPSA-N 2 0 353.341 -0.760 20 0 FBADRP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)C[C@H]([NH3+])CO)C2 ZINC001158379166 843859150 /nfs/dbraw/zinc/85/91/50/843859150.db2.gz BOQFHGJKABLNPY-XDTLVQLUSA-N 2 0 353.341 -0.760 20 0 FBADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)C[C@H]([NH3+])CO)C2 ZINC001158379167 843859851 /nfs/dbraw/zinc/85/98/51/843859851.db2.gz BOQFHGJKABLNPY-ZWKOPEQDSA-N 2 0 353.341 -0.760 20 0 FBADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@H](CO)[NH2+]C)C2 ZINC001158379204 843859364 /nfs/dbraw/zinc/85/93/64/843859364.db2.gz CEZPAOYCOGSQQE-BIMULSAOSA-N 2 0 353.341 -0.890 20 0 FBADRP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@H](CO)[NH2+]C)C2 ZINC001158379205 843859440 /nfs/dbraw/zinc/85/94/40/843859440.db2.gz CEZPAOYCOGSQQE-TVYUQYBPSA-N 2 0 353.341 -0.890 20 0 FBADRP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@H](CO)[NH2+]C)C2 ZINC001158379206 843859513 /nfs/dbraw/zinc/85/95/13/843859513.db2.gz CEZPAOYCOGSQQE-XDTLVQLUSA-N 2 0 353.341 -0.890 20 0 FBADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@H](CO)[NH2+]C)C2 ZINC001158379207 843859330 /nfs/dbraw/zinc/85/93/30/843859330.db2.gz CEZPAOYCOGSQQE-ZWKOPEQDSA-N 2 0 353.341 -0.890 20 0 FBADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@H]1[C@@H]3C[NH2+]C[C@@H]31)C2 ZINC001158379464 843859753 /nfs/dbraw/zinc/85/97/53/843859753.db2.gz AJVZETHXBPALRV-CDYMVBJSSA-N 2 0 361.364 -0.005 20 0 FBADRP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@H]1[C@@H]3C[NH2+]C[C@@H]31)C2 ZINC001158379466 843859140 /nfs/dbraw/zinc/85/91/40/843859140.db2.gz AJVZETHXBPALRV-MTLGCJRHSA-N 2 0 361.364 -0.005 20 0 FBADRP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@@H]1[C@@H]3C[NH2+]C[C@@H]31)C2 ZINC001158379469 843859209 /nfs/dbraw/zinc/85/92/09/843859209.db2.gz AJVZETHXBPALRV-NCSKVMEWSA-N 2 0 361.364 -0.005 20 0 FBADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@@H]1[C@@H]3C[NH2+]C[C@@H]31)C2 ZINC001158379471 843859259 /nfs/dbraw/zinc/85/92/59/843859259.db2.gz AJVZETHXBPALRV-SPSJUYOASA-N 2 0 361.364 -0.005 20 0 FBADRP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@@H]1[C@@H]3C[NH2+]C[C@@H]31)C2 ZINC001158379473 843859723 /nfs/dbraw/zinc/85/97/23/843859723.db2.gz AJVZETHXBPALRV-TVMMDAIPSA-N 2 0 361.364 -0.005 20 0 FBADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@H]1[C@@H]3C[NH2+]C[C@@H]31)C2 ZINC001158379475 843859541 /nfs/dbraw/zinc/85/95/41/843859541.db2.gz AJVZETHXBPALRV-TZHPCZLDSA-N 2 0 361.364 -0.005 20 0 FBADRP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@H]1[C@@H]3C[NH2+]C[C@@H]31)C2 ZINC001158379478 843859455 /nfs/dbraw/zinc/85/94/55/843859455.db2.gz AJVZETHXBPALRV-WXSGPUQCSA-N 2 0 361.364 -0.005 20 0 FBADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@@H]1[C@@H]3C[NH2+]C[C@@H]31)C2 ZINC001158379480 843859462 /nfs/dbraw/zinc/85/94/62/843859462.db2.gz AJVZETHXBPALRV-YHXLARSLSA-N 2 0 361.364 -0.005 20 0 FBADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)CNCC[NH3+])C2 ZINC001158379682 843859428 /nfs/dbraw/zinc/85/94/28/843859428.db2.gz FMHNBJNDUSFNRT-CHWSQXEVSA-N 2 0 352.357 -0.922 20 0 FBADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)CNCC[NH3+])C2 ZINC001158379686 843859715 /nfs/dbraw/zinc/85/97/15/843859715.db2.gz FMHNBJNDUSFNRT-OLZOCXBDSA-N 2 0 352.357 -0.922 20 0 FBADRP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)CNCC[NH3+])C2 ZINC001158379687 843859759 /nfs/dbraw/zinc/85/97/59/843859759.db2.gz FMHNBJNDUSFNRT-QWHCGFSZSA-N 2 0 352.357 -0.922 20 0 FBADRP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)CNCC[NH3+])C2 ZINC001158379688 843859681 /nfs/dbraw/zinc/85/96/81/843859681.db2.gz FMHNBJNDUSFNRT-STQMWFEESA-N 2 0 352.357 -0.922 20 0 FBADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@H]1[NH2+]CC[C@@H]1O)C2 ZINC001158379779 843859879 /nfs/dbraw/zinc/85/98/79/843859879.db2.gz GHZJPBSHOHRJNM-DUBDDPSESA-N 2 0 365.352 -0.747 20 0 FBADRP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@H]1[NH2+]CC[C@@H]1O)C2 ZINC001158379783 843859179 /nfs/dbraw/zinc/85/91/79/843859179.db2.gz GHZJPBSHOHRJNM-NUZBWSBOSA-N 2 0 365.352 -0.747 20 0 FBADRP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@H]1[NH2+]CC[C@@H]1O)C2 ZINC001158379785 843859781 /nfs/dbraw/zinc/85/97/81/843859781.db2.gz GHZJPBSHOHRJNM-TXFQPVFDSA-N 2 0 365.352 -0.747 20 0 FBADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@H]1[NH2+]CC[C@@H]1O)C2 ZINC001158379788 843859268 /nfs/dbraw/zinc/85/92/68/843859268.db2.gz GHZJPBSHOHRJNM-ZNIXKSQXSA-N 2 0 365.352 -0.747 20 0 FBADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@H]1C[NH2+]C[C@@H]1N)C2 ZINC001158380048 843859660 /nfs/dbraw/zinc/85/96/60/843859660.db2.gz GXGSMUFWRVVUOI-DUBDDPSESA-N 2 0 364.368 -0.923 20 0 FBADRP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@H]1C[NH2+]C[C@@H]1N)C2 ZINC001158380050 843859409 /nfs/dbraw/zinc/85/94/09/843859409.db2.gz GXGSMUFWRVVUOI-NUZBWSBOSA-N 2 0 364.368 -0.923 20 0 FBADRP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@H]1C[NH2+]C[C@@H]1N)C2 ZINC001158380051 843859349 /nfs/dbraw/zinc/85/93/49/843859349.db2.gz GXGSMUFWRVVUOI-TXFQPVFDSA-N 2 0 364.368 -0.923 20 0 FBADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@H]1C[NH2+]C[C@@H]1N)C2 ZINC001158380052 843859276 /nfs/dbraw/zinc/85/92/76/843859276.db2.gz GXGSMUFWRVVUOI-ZNIXKSQXSA-N 2 0 364.368 -0.923 20 0 FBADRP C[C@@H]1[C@H](C(=O)NCCC[NH2+]C[C@@H](O)COC2CCOCC2)CC[N@@H+]1C ZINC001158380086 843859920 /nfs/dbraw/zinc/85/99/20/843859920.db2.gz LMWCGIJNXPJTSP-BFYDXBDKSA-N 2 0 357.495 -0.021 20 0 FBADRP C[C@@H]1[C@H](C(=O)NCCC[NH2+]C[C@H](O)COC2CCOCC2)CC[N@@H+]1C ZINC001158380087 843859739 /nfs/dbraw/zinc/85/97/39/843859739.db2.gz LMWCGIJNXPJTSP-HLLBOEOZSA-N 2 0 357.495 -0.021 20 0 FBADRP CC(C)CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001158380368 843859239 /nfs/dbraw/zinc/85/92/39/843859239.db2.gz RETASOGAXVXNGJ-ZIAGYGMSSA-N 2 0 355.483 -0.096 20 0 FBADRP COCCS(=O)(=O)CCC[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001158380633 843859583 /nfs/dbraw/zinc/85/95/83/843859583.db2.gz SEYDMYCHEWRHHO-HUUCEWRRSA-N 2 0 363.524 -0.126 20 0 FBADRP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)C[NH2+]CCC[NH3+])C2 ZINC001158381415 843859188 /nfs/dbraw/zinc/85/91/88/843859188.db2.gz JWTZUUPJKBVMDR-KBPBESRZSA-N 3 0 366.384 -0.532 20 0 FBADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)C[NH2+]CCC[NH3+])C2 ZINC001158381416 843859953 /nfs/dbraw/zinc/85/99/53/843859953.db2.gz JWTZUUPJKBVMDR-KGLIPLIRSA-N 3 0 366.384 -0.532 20 0 FBADRP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)C[NH2+]CCC[NH3+])C2 ZINC001158381418 843859620 /nfs/dbraw/zinc/85/96/20/843859620.db2.gz JWTZUUPJKBVMDR-UONOGXRCSA-N 3 0 366.384 -0.532 20 0 FBADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)C[NH2+]CCC[NH3+])C2 ZINC001158381419 843859835 /nfs/dbraw/zinc/85/98/35/843859835.db2.gz JWTZUUPJKBVMDR-ZIAGYGMSSA-N 3 0 366.384 -0.532 20 0 FBADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@@H]1C[NH2+]CCO1)C2 ZINC001158382278 843859562 /nfs/dbraw/zinc/85/95/62/843859562.db2.gz JOFIRZVJGAEYRV-GDLCADMTSA-N 2 0 365.352 -0.482 20 0 FBADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@H]1C[NH2+]CCO1)C2 ZINC001158382280 843859638 /nfs/dbraw/zinc/85/96/38/843859638.db2.gz JOFIRZVJGAEYRV-HONMWMINSA-N 2 0 365.352 -0.482 20 0 FBADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@H]1C[NH2+]CCO1)C2 ZINC001158382281 843859766 /nfs/dbraw/zinc/85/97/66/843859766.db2.gz JOFIRZVJGAEYRV-LERXQTSPSA-N 2 0 365.352 -0.482 20 0 FBADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@@H]1C[NH2+]CCO1)C2 ZINC001158382283 843859599 /nfs/dbraw/zinc/85/95/99/843859599.db2.gz JOFIRZVJGAEYRV-ZLKJLUDKSA-N 2 0 365.352 -0.482 20 0 FBADRP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@@H]1C[C@@H]([NH3+])CN1)C2 ZINC001158382692 843859473 /nfs/dbraw/zinc/85/94/73/843859473.db2.gz MVHJRJKMJNYGMY-OAACRXHESA-N 2 0 364.368 -0.781 20 0 FBADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@@H]1C[C@@H]([NH3+])CN1)C2 ZINC001158382695 843859799 /nfs/dbraw/zinc/85/97/99/843859799.db2.gz MVHJRJKMJNYGMY-QOBDMFJFSA-N 2 0 364.368 -0.781 20 0 FBADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@@H]1C[C@@H]([NH3+])CN1)C2 ZINC001158382697 843860191 /nfs/dbraw/zinc/86/01/91/843860191.db2.gz MVHJRJKMJNYGMY-RDBQEKCUSA-N 2 0 364.368 -0.781 20 0 FBADRP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@@H]1C[C@@H]([NH3+])CN1)C2 ZINC001158382699 843860754 /nfs/dbraw/zinc/86/07/54/843860754.db2.gz MVHJRJKMJNYGMY-XXSPCDMZSA-N 2 0 364.368 -0.781 20 0 FBADRP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@@H]([NH3+])C(C)(C)O)C2 ZINC001158383608 843860224 /nfs/dbraw/zinc/86/02/24/843860224.db2.gz NVWKZNNGOIJVDQ-BIGNPOOSSA-N 2 0 367.368 -0.372 20 0 FBADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@@H]([NH3+])C(C)(C)O)C2 ZINC001158383612 843860368 /nfs/dbraw/zinc/86/03/68/843860368.db2.gz NVWKZNNGOIJVDQ-FZQKWOKYSA-N 2 0 367.368 -0.372 20 0 FBADRP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@@H]([NH3+])C(C)(C)O)C2 ZINC001158383613 843860712 /nfs/dbraw/zinc/86/07/12/843860712.db2.gz NVWKZNNGOIJVDQ-IIMNLJJBSA-N 2 0 367.368 -0.372 20 0 FBADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@@H]([NH3+])C(C)(C)O)C2 ZINC001158383615 843860110 /nfs/dbraw/zinc/86/01/10/843860110.db2.gz NVWKZNNGOIJVDQ-OWYVNGRQSA-N 2 0 367.368 -0.372 20 0 FBADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@@H]([NH3+])[C@@H](C)O)C2 ZINC001158384022 843860810 /nfs/dbraw/zinc/86/08/10/843860810.db2.gz PWGDTDMKPGUNHX-DTVLGXAZSA-N 2 0 353.341 -0.762 20 0 FBADRP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@@H]([NH3+])[C@@H](C)O)C2 ZINC001158384023 843860670 /nfs/dbraw/zinc/86/06/70/843860670.db2.gz PWGDTDMKPGUNHX-FIDNZITISA-N 2 0 353.341 -0.762 20 0 FBADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@@H]([NH3+])[C@@H](C)O)C2 ZINC001158384024 843860480 /nfs/dbraw/zinc/86/04/80/843860480.db2.gz PWGDTDMKPGUNHX-OTMMVIPVSA-N 2 0 353.341 -0.762 20 0 FBADRP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@@H]([NH3+])[C@@H](C)O)C2 ZINC001158384025 843860436 /nfs/dbraw/zinc/86/04/36/843860436.db2.gz PWGDTDMKPGUNHX-PSJXJDHFSA-N 2 0 353.341 -0.762 20 0 FBADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@@H]([NH3+])CCC[NH3+])C2 ZINC001158384042 843860595 /nfs/dbraw/zinc/86/05/95/843860595.db2.gz QACKSLNWRNTVQW-GDLCADMTSA-N 3 0 366.384 -0.404 20 0 FBADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@H]([NH3+])CCC[NH3+])C2 ZINC001158384043 843860784 /nfs/dbraw/zinc/86/07/84/843860784.db2.gz QACKSLNWRNTVQW-HONMWMINSA-N 3 0 366.384 -0.404 20 0 FBADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@H]([NH3+])CCC[NH3+])C2 ZINC001158384044 843860615 /nfs/dbraw/zinc/86/06/15/843860615.db2.gz QACKSLNWRNTVQW-LERXQTSPSA-N 3 0 366.384 -0.404 20 0 FBADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@@H]([NH3+])CCC[NH3+])C2 ZINC001158384045 843860348 /nfs/dbraw/zinc/86/03/48/843860348.db2.gz QACKSLNWRNTVQW-ZLKJLUDKSA-N 3 0 366.384 -0.404 20 0 FBADRP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@@H]([NH2+]C)[C@@H](C)O)C2 ZINC001158384383 843860153 /nfs/dbraw/zinc/86/01/53/843860153.db2.gz VWYSPFAJMHVRKK-OAACRXHESA-N 2 0 367.368 -0.501 20 0 FBADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@@H]([NH2+]C)[C@@H](C)O)C2 ZINC001158384384 843860497 /nfs/dbraw/zinc/86/04/97/843860497.db2.gz VWYSPFAJMHVRKK-QOBDMFJFSA-N 2 0 367.368 -0.501 20 0 FBADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@@H]([NH2+]C)[C@@H](C)O)C2 ZINC001158384386 843860162 /nfs/dbraw/zinc/86/01/62/843860162.db2.gz VWYSPFAJMHVRKK-RDBQEKCUSA-N 2 0 367.368 -0.501 20 0 FBADRP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@@H]([NH2+]C)[C@@H](C)O)C2 ZINC001158384388 843860872 /nfs/dbraw/zinc/86/08/72/843860872.db2.gz VWYSPFAJMHVRKK-XXSPCDMZSA-N 2 0 367.368 -0.501 20 0 FBADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@@H]1C[NH2+]C[C@H]1O)C2 ZINC001158384466 843860842 /nfs/dbraw/zinc/86/08/42/843860842.db2.gz WLWFXCJYTRKHOR-MHWZDGSBSA-N 2 0 365.352 -0.890 20 0 FBADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@H]1C[NH2+]C[C@H]1O)C2 ZINC001158384469 843860827 /nfs/dbraw/zinc/86/08/27/843860827.db2.gz WLWFXCJYTRKHOR-PJQZNRQZSA-N 2 0 365.352 -0.890 20 0 FBADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@@H]1C[NH2+]C[C@@H]1O)C2 ZINC001158384471 843860655 /nfs/dbraw/zinc/86/06/55/843860655.db2.gz WLWFXCJYTRKHOR-QOBDMFJFSA-N 2 0 365.352 -0.890 20 0 FBADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@H]1C[NH2+]C[C@@H]1O)C2 ZINC001158384473 843860746 /nfs/dbraw/zinc/86/07/46/843860746.db2.gz WLWFXCJYTRKHOR-ZNIXKSQXSA-N 2 0 365.352 -0.890 20 0 FBADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@H](C[NH3+])OC)C2 ZINC001158384506 843860264 /nfs/dbraw/zinc/86/02/64/843860264.db2.gz WPYFPNXNLHUILG-BIMULSAOSA-N 2 0 353.341 -0.496 20 0 FBADRP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@H](C[NH3+])OC)C2 ZINC001158384507 843860465 /nfs/dbraw/zinc/86/04/65/843860465.db2.gz WPYFPNXNLHUILG-TVYUQYBPSA-N 2 0 353.341 -0.496 20 0 FBADRP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@H](C[NH3+])OC)C2 ZINC001158384508 843860575 /nfs/dbraw/zinc/86/05/75/843860575.db2.gz WPYFPNXNLHUILG-XDTLVQLUSA-N 2 0 353.341 -0.496 20 0 FBADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@H](C[NH3+])OC)C2 ZINC001158384509 843860248 /nfs/dbraw/zinc/86/02/48/843860248.db2.gz WPYFPNXNLHUILG-ZWKOPEQDSA-N 2 0 353.341 -0.496 20 0 FBADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@]1(N)CC[NH2+]C1)C2 ZINC001158384580 843860735 /nfs/dbraw/zinc/86/07/35/843860735.db2.gz XHLZPUMSGZQCRC-HZSPNIEDSA-N 2 0 364.368 -0.779 20 0 FBADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@@]1(N)CC[NH2+]C1)C2 ZINC001158384589 843860296 /nfs/dbraw/zinc/86/02/96/843860296.db2.gz XHLZPUMSGZQCRC-MCIONIFRSA-N 2 0 364.368 -0.779 20 0 FBADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@@]1(N)CC[NH2+]C1)C2 ZINC001158384591 843860459 /nfs/dbraw/zinc/86/04/59/843860459.db2.gz XHLZPUMSGZQCRC-MGPQQGTHSA-N 2 0 364.368 -0.779 20 0 FBADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@]1(N)CC[NH2+]C1)C2 ZINC001158384593 843860557 /nfs/dbraw/zinc/86/05/57/843860557.db2.gz XHLZPUMSGZQCRC-RDBSUJKOSA-N 2 0 364.368 -0.779 20 0 FBADRP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@H]1COC[C@H]1[NH3+])C2 ZINC001158384746 843860862 /nfs/dbraw/zinc/86/08/62/843860862.db2.gz YENFVELQVSMYKM-DJBIQUGXSA-N 2 0 365.352 -0.496 20 0 FBADRP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@H]1COC[C@H]1[NH3+])C2 ZINC001158384747 843860096 /nfs/dbraw/zinc/86/00/96/843860096.db2.gz YENFVELQVSMYKM-GIFSMMMISA-N 2 0 365.352 -0.496 20 0 FBADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@H]1COC[C@H]1[NH3+])C2 ZINC001158384748 843860258 /nfs/dbraw/zinc/86/02/58/843860258.db2.gz YENFVELQVSMYKM-GZZJDILISA-N 2 0 365.352 -0.496 20 0 FBADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@H]1COC[C@H]1[NH3+])C2 ZINC001158384749 843860291 /nfs/dbraw/zinc/86/02/91/843860291.db2.gz YENFVELQVSMYKM-PJQZNRQZSA-N 2 0 365.352 -0.496 20 0 FBADRP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@@H]1C[NH2+]CCN1)C2 ZINC001158384758 843860686 /nfs/dbraw/zinc/86/06/86/843860686.db2.gz YQIUCZBESNIMFN-BPNCWPANSA-N 2 0 364.368 -0.909 20 0 FBADRP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@H]1C[NH2+]CCN1)C2 ZINC001158384759 843860856 /nfs/dbraw/zinc/86/08/56/843860856.db2.gz YQIUCZBESNIMFN-DDTOSNHZSA-N 2 0 364.368 -0.909 20 0 FBADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@@H]1C[NH2+]CCN1)C2 ZINC001158384760 843860220 /nfs/dbraw/zinc/86/02/20/843860220.db2.gz YQIUCZBESNIMFN-GDLCADMTSA-N 2 0 364.368 -0.909 20 0 FBADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@H]1C[NH2+]CCN1)C2 ZINC001158384761 843860392 /nfs/dbraw/zinc/86/03/92/843860392.db2.gz YQIUCZBESNIMFN-HONMWMINSA-N 2 0 364.368 -0.909 20 0 FBADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@H]1C[NH2+]CCN1)C2 ZINC001158384762 843860694 /nfs/dbraw/zinc/86/06/94/843860694.db2.gz YQIUCZBESNIMFN-LERXQTSPSA-N 2 0 364.368 -0.909 20 0 FBADRP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@@H]1C[NH2+]CCN1)C2 ZINC001158384763 843860507 /nfs/dbraw/zinc/86/05/07/843860507.db2.gz YQIUCZBESNIMFN-LEWSCRJBSA-N 2 0 364.368 -0.909 20 0 FBADRP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@H]1C[NH2+]CCN1)C2 ZINC001158384764 843860834 /nfs/dbraw/zinc/86/08/34/843860834.db2.gz YQIUCZBESNIMFN-SWHYSGLUSA-N 2 0 364.368 -0.909 20 0 FBADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@@H]1C[NH2+]CCN1)C2 ZINC001158384765 843860800 /nfs/dbraw/zinc/86/08/00/843860800.db2.gz YQIUCZBESNIMFN-ZLKJLUDKSA-N 2 0 364.368 -0.909 20 0 FBADRP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@@](C)([NH3+])CO)C2 ZINC001158384971 843860532 /nfs/dbraw/zinc/86/05/32/843860532.db2.gz UCYMMYVDSVRGSH-AVGNSLFASA-N 2 0 353.341 -0.760 20 0 FBADRP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@@](C)([NH3+])CO)C2 ZINC001158384975 843860327 /nfs/dbraw/zinc/86/03/27/843860327.db2.gz UCYMMYVDSVRGSH-RWMBFGLXSA-N 2 0 353.341 -0.760 20 0 FBADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@@](C)([NH3+])CO)C2 ZINC001158384978 843860236 /nfs/dbraw/zinc/86/02/36/843860236.db2.gz UCYMMYVDSVRGSH-XQQFMLRXSA-N 2 0 353.341 -0.760 20 0 FBADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@@](C)([NH3+])CO)C2 ZINC001158384981 843860633 /nfs/dbraw/zinc/86/06/33/843860633.db2.gz UCYMMYVDSVRGSH-YNEHKIRRSA-N 2 0 353.341 -0.760 20 0 FBADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@H]1C[C@@H](O)C[NH2+]1)C2 ZINC001158385342 843860703 /nfs/dbraw/zinc/86/07/03/843860703.db2.gz WFGYQQPKFYBLCH-DMTCVQMQSA-N 2 0 365.352 -0.747 20 0 FBADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@@H]1C[C@H](O)C[NH2+]1)C2 ZINC001158385343 843860563 /nfs/dbraw/zinc/86/05/63/843860563.db2.gz WFGYQQPKFYBLCH-DUBDDPSESA-N 2 0 365.352 -0.747 20 0 FBADRP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@H]1C[C@@H](O)C[NH2+]1)C2 ZINC001158385344 843860422 /nfs/dbraw/zinc/86/04/22/843860422.db2.gz WFGYQQPKFYBLCH-JYILRKAJSA-N 2 0 365.352 -0.747 20 0 FBADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@H]1C[C@@H](O)C[NH2+]1)C2 ZINC001158385345 843860283 /nfs/dbraw/zinc/86/02/83/843860283.db2.gz WFGYQQPKFYBLCH-MHWZDGSBSA-N 2 0 365.352 -0.747 20 0 FBADRP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@@H]1C[C@H](O)C[NH2+]1)C2 ZINC001158385346 843860850 /nfs/dbraw/zinc/86/08/50/843860850.db2.gz WFGYQQPKFYBLCH-NUZBWSBOSA-N 2 0 365.352 -0.747 20 0 FBADRP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@@H]1C[C@H](O)C[NH2+]1)C2 ZINC001158385347 843860428 /nfs/dbraw/zinc/86/04/28/843860428.db2.gz WFGYQQPKFYBLCH-TXFQPVFDSA-N 2 0 365.352 -0.747 20 0 FBADRP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@H]1C[C@@H](O)C[NH2+]1)C2 ZINC001158385348 843860214 /nfs/dbraw/zinc/86/02/14/843860214.db2.gz WFGYQQPKFYBLCH-XYHOJCAOSA-N 2 0 365.352 -0.747 20 0 FBADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@@H]1C[C@H](O)C[NH2+]1)C2 ZINC001158385349 843860805 /nfs/dbraw/zinc/86/08/05/843860805.db2.gz WFGYQQPKFYBLCH-ZNIXKSQXSA-N 2 0 365.352 -0.747 20 0 FBADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@@H]([NH3+])COC)C2 ZINC001158385366 843860403 /nfs/dbraw/zinc/86/04/03/843860403.db2.gz WGTZQVCQUWTTRQ-BIMULSAOSA-N 2 0 353.341 -0.496 20 0 FBADRP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@@H]([NH3+])COC)C2 ZINC001158385367 843860174 /nfs/dbraw/zinc/86/01/74/843860174.db2.gz WGTZQVCQUWTTRQ-TVYUQYBPSA-N 2 0 353.341 -0.496 20 0 FBADRP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@@H]([NH3+])COC)C2 ZINC001158385368 843861466 /nfs/dbraw/zinc/86/14/66/843861466.db2.gz WGTZQVCQUWTTRQ-XDTLVQLUSA-N 2 0 353.341 -0.496 20 0 FBADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@@H]([NH3+])COC)C2 ZINC001158385369 843861248 /nfs/dbraw/zinc/86/12/48/843861248.db2.gz WGTZQVCQUWTTRQ-ZWKOPEQDSA-N 2 0 353.341 -0.496 20 0 FBADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)C[C@H](O)C[NH3+])C2 ZINC001158385868 843861029 /nfs/dbraw/zinc/86/10/29/843861029.db2.gz XUORMKOPZVVAHU-BIMULSAOSA-N 2 0 353.341 -0.760 20 0 FBADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)C[C@@H](O)C[NH3+])C2 ZINC001158385872 843861521 /nfs/dbraw/zinc/86/15/21/843861521.db2.gz XUORMKOPZVVAHU-OASPWFOLSA-N 2 0 353.341 -0.760 20 0 FBADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)C[C@@H](O)C[NH3+])C2 ZINC001158385876 843861267 /nfs/dbraw/zinc/86/12/67/843861267.db2.gz XUORMKOPZVVAHU-WQAKAFBOSA-N 2 0 353.341 -0.760 20 0 FBADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)C[C@H](O)C[NH3+])C2 ZINC001158385879 843861422 /nfs/dbraw/zinc/86/14/22/843861422.db2.gz XUORMKOPZVVAHU-ZWKOPEQDSA-N 2 0 353.341 -0.760 20 0 FBADRP C[C@@H]1[C@H](C(=O)NCCC[NH2+]Cc2cc(=O)n(C)c(=O)n2C)CC[N@@H+]1C ZINC001158389343 843861070 /nfs/dbraw/zinc/86/10/70/843861070.db2.gz BJWGVZPULMKRKS-TZMCWYRMSA-N 2 0 351.451 -0.980 20 0 FBADRP C[C@H](NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)N(C)C ZINC001158389663 843861592 /nfs/dbraw/zinc/86/15/92/843861592.db2.gz IIHRYUIXYRRAST-BFHYXJOUSA-N 2 0 355.483 -0.985 20 0 FBADRP C[C@@H](NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)N(C)C ZINC001158389664 843861341 /nfs/dbraw/zinc/86/13/41/843861341.db2.gz IIHRYUIXYRRAST-MGPQQGTHSA-N 2 0 355.483 -0.985 20 0 FBADRP C[C@H]([NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)NC(=O)NC1CC1 ZINC001158389835 843861648 /nfs/dbraw/zinc/86/16/48/843861648.db2.gz JJAARQTUGCWCQK-OUCADQQQSA-N 2 0 353.467 -0.201 20 0 FBADRP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)NC(=O)NC1CC1 ZINC001158389836 843861548 /nfs/dbraw/zinc/86/15/48/843861548.db2.gz JJAARQTUGCWCQK-YRGRVCCFSA-N 2 0 353.467 -0.201 20 0 FBADRP C[C@@H]1[C@H](C(=O)NCCC[NH2+]CCN2C(=O)NC(C)(C)C2=O)CC[N@@H+]1C ZINC001158389922 843861286 /nfs/dbraw/zinc/86/12/86/843861286.db2.gz NROQULFBMRLJHF-CHWSQXEVSA-N 2 0 353.467 -0.247 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]C[C@H](O)CN2CCCC2=O)CC[N@@H+]1C ZINC001158403365 843861138 /nfs/dbraw/zinc/86/11/38/843861138.db2.gz GUJXANAODZVTTA-HRCADAONSA-N 2 0 354.495 -0.204 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CCN2CCCS2(=O)=O)CC[N@@H+]1C ZINC001158404599 843861504 /nfs/dbraw/zinc/86/15/04/843861504.db2.gz XFBDBXMYBFVEGD-LSDHHAIUSA-N 2 0 360.524 -0.152 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CC(=O)NC(=O)NC2CC2)CC[N@@H+]1C ZINC001158404849 843861952 /nfs/dbraw/zinc/86/19/52/843861952.db2.gz ZZXVQSXQKBUTLY-UONOGXRCSA-N 2 0 353.467 -0.199 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CC(=O)NC[C@@H]2CCOC2)CC[N@@H+]1C ZINC001158411376 843862222 /nfs/dbraw/zinc/86/22/22/843862222.db2.gz DSKMJRULMQKWCA-HRCADAONSA-N 2 0 354.495 -0.035 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CC(=O)NC[C@H]2CCOC2)CC[N@@H+]1C ZINC001158411378 843862083 /nfs/dbraw/zinc/86/20/83/843862083.db2.gz DSKMJRULMQKWCA-OWCLPIDISA-N 2 0 354.495 -0.035 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CCCN2C(=O)CNC2=O)CC[N@@H+]1C ZINC001158412114 843861934 /nfs/dbraw/zinc/86/19/34/843861934.db2.gz MYMKEARUTUSLPG-UONOGXRCSA-N 2 0 353.467 -0.246 20 0 FBADRP CCOC(=O)[C@@]12CCO[C@@H]1CCN(C(=O)[C@]13C[NH2+]C[C@H]1C[NH2+]CC3)C2 ZINC001158416545 843861985 /nfs/dbraw/zinc/86/19/85/843861985.db2.gz WNGWNGZEDFUKHS-DTTOXWODSA-N 2 0 351.447 -0.244 20 0 FBADRP CCOC(=O)c1nc2n(n1)CCN(C(=O)[C@@H]([NH3+])CCCC[NH+](C)C)C2 ZINC001158430730 843862372 /nfs/dbraw/zinc/86/23/72/843862372.db2.gz LFUNRJGJMNBTHD-LBPRGKRZSA-N 2 0 352.439 -0.144 20 0 FBADRP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(=O)[C@@](C)([NH3+])CO)C2 ZINC001158468730 843863737 /nfs/dbraw/zinc/86/37/37/843863737.db2.gz PSYLHAUROXOGQO-QANKJYHBSA-N 2 0 353.463 -0.132 20 0 FBADRP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(=O)C[C@@H](O)C[NH3+])C2 ZINC001158468952 843863660 /nfs/dbraw/zinc/86/36/60/843863660.db2.gz VNCOOCLZQHRTDL-QWQRMKEZSA-N 2 0 353.463 -0.132 20 0 FBADRP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(=O)C[C@H](O)C[NH3+])C2 ZINC001158468953 843863571 /nfs/dbraw/zinc/86/35/71/843863571.db2.gz VNCOOCLZQHRTDL-SUNYJGFJSA-N 2 0 353.463 -0.132 20 0 FBADRP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(=O)[C@@H]([NH3+])[C@@H](C)O)C2 ZINC001158468994 843863863 /nfs/dbraw/zinc/86/38/63/843863863.db2.gz XALHDCWGNWFHMU-KHSSZTOVSA-N 2 0 353.463 -0.134 20 0 FBADRP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(=O)CNCC[NH3+])C2 ZINC001158478468 843863332 /nfs/dbraw/zinc/86/33/32/843863332.db2.gz BCYVEYJVEBWIRL-KBXCAEBGSA-N 2 0 352.479 -0.294 20 0 FBADRP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(=O)[C@H](CO)[NH2+]C)C2 ZINC001158478995 843863409 /nfs/dbraw/zinc/86/34/09/843863409.db2.gz IBYKHFJZVFXVIR-SUNYJGFJSA-N 2 0 353.463 -0.262 20 0 FBADRP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(=O)C[C@H]([NH3+])CO)C2 ZINC001158479508 843863519 /nfs/dbraw/zinc/86/35/19/843863519.db2.gz NLWXHHDGMDDHLH-SUNYJGFJSA-N 2 0 353.463 -0.132 20 0 FBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)C[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001158495616 843864226 /nfs/dbraw/zinc/86/42/26/843864226.db2.gz ABCIJJSGHXRWOO-FBRBKTQXSA-N 2 0 351.447 -0.247 20 0 FBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@]12CCCO[C@@H]1CC[NH2+]C2 ZINC001158496452 843864893 /nfs/dbraw/zinc/86/48/93/843864893.db2.gz NNPFHXBYNYHVGB-PQHDGLIZSA-N 2 0 351.447 -0.103 20 0 FBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001158496458 843864263 /nfs/dbraw/zinc/86/42/63/843864263.db2.gz NTZQTSWGNBJUMF-BYNSBNAKSA-N 2 0 351.447 -0.103 20 0 FBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001158496459 843864275 /nfs/dbraw/zinc/86/42/75/843864275.db2.gz NTZQTSWGNBJUMF-XQLPTFJDSA-N 2 0 351.447 -0.103 20 0 FBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@H]1CC[C@]2(C1)C[NH2+]CCO2 ZINC001158496469 843864901 /nfs/dbraw/zinc/86/49/01/843864901.db2.gz ONTRCIZSASMOSJ-IBTNMTNLSA-N 2 0 351.447 -0.103 20 0 FBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]1CC[C@@]2(C1)C[NH2+]CCO2 ZINC001158496470 843864483 /nfs/dbraw/zinc/86/44/83/843864483.db2.gz ONTRCIZSASMOSJ-SUKQMUEJSA-N 2 0 351.447 -0.103 20 0 FBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]1CC[C@]2(C1)C[NH2+]CCO2 ZINC001158496471 843864806 /nfs/dbraw/zinc/86/48/06/843864806.db2.gz ONTRCIZSASMOSJ-VAVSNJLASA-N 2 0 351.447 -0.103 20 0 FBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@H]1CC[C@@]2(C1)C[NH2+]CCO2 ZINC001158496472 843864692 /nfs/dbraw/zinc/86/46/92/843864692.db2.gz ONTRCIZSASMOSJ-YUYGLALOSA-N 2 0 351.447 -0.103 20 0 FBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001158496638 843864285 /nfs/dbraw/zinc/86/42/85/843864285.db2.gz WCOMQGLGOAAKIS-LJISPDSOSA-N 3 0 350.463 -0.387 20 0 FBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001158496639 843864852 /nfs/dbraw/zinc/86/48/52/843864852.db2.gz WCOMQGLGOAAKIS-ZQDZILKHSA-N 3 0 350.463 -0.387 20 0 FBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@H]1C[NH2+]CC12CCOCC2 ZINC001158496644 843864497 /nfs/dbraw/zinc/86/44/97/843864497.db2.gz WENQBMSLSAFFGN-LJISPDSOSA-N 2 0 351.447 -0.245 20 0 FBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]1C[NH2+]CC12CCOCC2 ZINC001158496645 843864917 /nfs/dbraw/zinc/86/49/17/843864917.db2.gz WENQBMSLSAFFGN-ZQDZILKHSA-N 2 0 351.447 -0.245 20 0 FBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001158496667 843864677 /nfs/dbraw/zinc/86/46/77/843864677.db2.gz XDQOMPLXSUTPSU-LJISPDSOSA-N 2 0 351.447 -0.103 20 0 FBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001158496668 843864981 /nfs/dbraw/zinc/86/49/81/843864981.db2.gz XDQOMPLXSUTPSU-ZQDZILKHSA-N 2 0 351.447 -0.103 20 0 FBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)N1[C@H](C(=O)OCC)C[C@H]2C[NH2+]C[C@H]21 ZINC001158497730 843864399 /nfs/dbraw/zinc/86/43/99/843864399.db2.gz FWHWFSRBJIVASL-MQLXINIDSA-N 2 0 353.419 -0.863 20 0 FBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC001158498331 843864352 /nfs/dbraw/zinc/86/43/52/843864352.db2.gz OMCBAGKPTRNGJC-XDQVBPFNSA-N 2 0 352.435 -0.922 20 0 FBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)CNC(=O)[C@@H]([NH3+])CC(C)C ZINC001158498454 843864367 /nfs/dbraw/zinc/86/43/67/843864367.db2.gz PSCIKXSJBHBZOC-XDQVBPFNSA-N 2 0 354.451 -0.772 20 0 FBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@H](CCCC[NH3+])NC(C)=O ZINC001158498711 843864543 /nfs/dbraw/zinc/86/45/43/843864543.db2.gz SSNQDGSWZMAFCV-ZQDZILKHSA-N 2 0 354.451 -0.628 20 0 FBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)CNC(=O)[C@@H]([NH3+])[C@@H](C)CC ZINC001158499487 843864761 /nfs/dbraw/zinc/86/47/61/843864761.db2.gz ZCVSVBVBHGEMSZ-BAYHKCFCSA-N 2 0 354.451 -0.772 20 0 FBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+] ZINC001158499488 843864825 /nfs/dbraw/zinc/86/48/25/843864825.db2.gz ZDOPHPRJWFJKLI-HTVCTNPSSA-N 2 0 352.435 -0.923 20 0 FBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]([NH3+])CCCCNC(C)=O ZINC001158505562 843864627 /nfs/dbraw/zinc/86/46/27/843864627.db2.gz CUKWCBNMLHUXRN-ZQDZILKHSA-N 2 0 354.451 -0.628 20 0 FBADRP CCOC(=O)C1CC[NH+](C2CCN(C(=O)[C@H]3[NH2+]CC[C@H]3O)CC2)CC1 ZINC001158512818 843864473 /nfs/dbraw/zinc/86/44/73/843864473.db2.gz BVEQLDPIYNOHNM-CVEARBPZSA-N 2 0 353.463 -0.025 20 0 FBADRP CCOC(=O)C1CC[NH+](C2CCN(C(=O)[C@H]3[NH2+]CC[C@@H]3O)CC2)CC1 ZINC001158512820 843865253 /nfs/dbraw/zinc/86/52/53/843865253.db2.gz BVEQLDPIYNOHNM-HOTGVXAUSA-N 2 0 353.463 -0.025 20 0 FBADRP CCOC(=O)C1CC[NH+](C2CCN(C(=O)[C@@H]3C[C@H](O)C[NH2+]3)CC2)CC1 ZINC001158512988 843865803 /nfs/dbraw/zinc/86/58/03/843865803.db2.gz FGOQLSYODHYEDO-HOTGVXAUSA-N 2 0 353.463 -0.025 20 0 FBADRP CCOC(=O)C1CC[NH+](C2CCN(C(=O)[C@H]3C[C@@H](O)C[NH2+]3)CC2)CC1 ZINC001158512989 843865849 /nfs/dbraw/zinc/86/58/49/843865849.db2.gz FGOQLSYODHYEDO-HZPDHXFCSA-N 2 0 353.463 -0.025 20 0 FBADRP CCOC(=O)C1CC[NH+](C2CCN(C(=O)[C@H]3C[NH2+]C[C@@H]3N)CC2)CC1 ZINC001158513751 843865937 /nfs/dbraw/zinc/86/59/37/843865937.db2.gz QRSHYCWLPRHZCS-HOTGVXAUSA-N 2 0 352.479 -0.201 20 0 FBADRP CCOC(=O)C1CC[NH+](C2CCN(C(=O)[C@@H]3C[C@H]([NH3+])CN3)CC2)CC1 ZINC001158514169 843865819 /nfs/dbraw/zinc/86/58/19/843865819.db2.gz UKYODVPOHMCNAX-HOCLYGCPSA-N 2 0 352.479 -0.058 20 0 FBADRP CCOC(=O)C1CC[NH+](C2CCN(C(=O)[C@@H]3C[C@@H]([NH3+])CN3)CC2)CC1 ZINC001158514170 843865609 /nfs/dbraw/zinc/86/56/09/843865609.db2.gz UKYODVPOHMCNAX-ZBFHGGJFSA-N 2 0 352.479 -0.058 20 0 FBADRP CCOC(=O)C1CC[NH+](C2CCN(C(=O)[C@@]3(N)CC[NH2+]C3)CC2)CC1 ZINC001158514175 843865326 /nfs/dbraw/zinc/86/53/26/843865326.db2.gz UVECBVDOXJOCTI-GOSISDBHSA-N 2 0 352.479 -0.057 20 0 FBADRP CCOC(=O)C1CC[NH+](C2CCN(C(=O)[C@]3(N)CC[NH2+]C3)CC2)CC1 ZINC001158514176 843865302 /nfs/dbraw/zinc/86/53/02/843865302.db2.gz UVECBVDOXJOCTI-SFHVURJKSA-N 2 0 352.479 -0.057 20 0 FBADRP CCOC(=O)C1CC[NH+](C2CCN(C(=O)[C@@H]3C[NH2+]CCN3)CC2)CC1 ZINC001158514269 843865855 /nfs/dbraw/zinc/86/58/55/843865855.db2.gz VKQMPRTXGVQUKX-INIZCTEOSA-N 2 0 352.479 -0.186 20 0 FBADRP CCOC(=O)C1CC[NH+](C2CCN(C(=O)[C@@H]3C[NH2+]C[C@@H]3O)CC2)CC1 ZINC001158514375 843865528 /nfs/dbraw/zinc/86/55/28/843865528.db2.gz WQHUEMGMZPLWAV-CVEARBPZSA-N 2 0 353.463 -0.167 20 0 FBADRP CCOC(=O)C1CC[NH+](C2CCN(C(=O)[C@H]3C[NH2+]C[C@@H]3O)CC2)CC1 ZINC001158514377 843865271 /nfs/dbraw/zinc/86/52/71/843865271.db2.gz WQHUEMGMZPLWAV-HOTGVXAUSA-N 2 0 353.463 -0.167 20 0 FBADRP CCOC(=O)C1CC[NH+](C2CCN(C(=O)[C@@H]3C[NH2+]C[C@H]3O)CC2)CC1 ZINC001158514378 843865886 /nfs/dbraw/zinc/86/58/86/843865886.db2.gz WQHUEMGMZPLWAV-HZPDHXFCSA-N 2 0 353.463 -0.167 20 0 FBADRP CCOC(=O)C1CC[NH+](C2CCN(C(=O)[C@H]3C[NH2+]C[C@H]3O)CC2)CC1 ZINC001158514380 843865155 /nfs/dbraw/zinc/86/51/55/843865155.db2.gz WQHUEMGMZPLWAV-JKSUJKDBSA-N 2 0 353.463 -0.167 20 0 FBADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158533735 843865419 /nfs/dbraw/zinc/86/54/19/843865419.db2.gz PCQYBIWNPMDHCG-CIBFVHANSA-N 2 0 352.479 -0.156 20 0 FBADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158533736 843865512 /nfs/dbraw/zinc/86/55/12/843865512.db2.gz PCQYBIWNPMDHCG-PYOGLGTISA-N 2 0 352.479 -0.156 20 0 FBADRP [NH3+]C1(C(=O)N2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)CCC2(CC1)OCCO2 ZINC001158547810 843865315 /nfs/dbraw/zinc/86/53/15/843865315.db2.gz PHTAGQIDPXILNZ-CKEIUWERSA-N 2 0 351.447 -0.020 20 0 FBADRP [NH3+]C1(C(=O)N2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)CCC2(CC1)OCCO2 ZINC001158547811 843865121 /nfs/dbraw/zinc/86/51/21/843865121.db2.gz PHTAGQIDPXILNZ-JJRVBVJISA-N 2 0 351.447 -0.020 20 0 FBADRP [NH3+]C1([C@@H]2CN(C(=O)[C@H]3C[NH2+]CC34CCS(=O)(=O)CC4)C[C@@H]2CF)CC1 ZINC001158567473 843865789 /nfs/dbraw/zinc/86/57/89/843865789.db2.gz INNLUBCXYMJCHI-BFHYXJOUSA-N 2 0 373.494 -0.064 20 0 FBADRP [NH3+]C1([C@@H]2CN(C(=O)[C@@H]3C[NH2+]CC34CCS(=O)(=O)CC4)C[C@H]2CF)CC1 ZINC001158567486 843866410 /nfs/dbraw/zinc/86/64/10/843866410.db2.gz INNLUBCXYMJCHI-HZSPNIEDSA-N 2 0 373.494 -0.064 20 0 FBADRP [NH3+]C1([C@@H]2CN(C(=O)[C@@H]3C[NH2+]CC34CCS(=O)(=O)CC4)C[C@@H]2CF)CC1 ZINC001158567488 843866693 /nfs/dbraw/zinc/86/66/93/843866693.db2.gz INNLUBCXYMJCHI-MELADBBJSA-N 2 0 373.494 -0.064 20 0 FBADRP [NH3+]C1([C@@H]2CN(C(=O)[C@H]3C[NH2+]CC34CCS(=O)(=O)CC4)C[C@H]2CF)CC1 ZINC001158567489 843866644 /nfs/dbraw/zinc/86/66/44/843866644.db2.gz INNLUBCXYMJCHI-MGPQQGTHSA-N 2 0 373.494 -0.064 20 0 FBADRP C[N@@H+]1C[C@H](C(=O)N2C[C@H](C3([NH3+])CC3)[C@H](CF)C2)OC2(CC[NH2+]CC2)C1 ZINC001158567862 843866248 /nfs/dbraw/zinc/86/62/48/843866248.db2.gz LGILUCDXSQRELD-QLFBSQMISA-N 3 0 354.470 -0.025 20 0 FBADRP C[N@@H+]1C[C@H](C(=O)N2C[C@@H](CF)[C@H](C3([NH3+])CC3)C2)OC2(CC[NH2+]CC2)C1 ZINC001158567863 843866731 /nfs/dbraw/zinc/86/67/31/843866731.db2.gz LGILUCDXSQRELD-RBSFLKMASA-N 3 0 354.470 -0.025 20 0 FBADRP C[N@@H+]1C[C@H](C(=O)N2C[C@H](CF)[C@H](C3([NH3+])CC3)C2)OC2(CC[NH2+]CC2)C1 ZINC001158567864 843866748 /nfs/dbraw/zinc/86/67/48/843866748.db2.gz LGILUCDXSQRELD-RRFJBIMHSA-N 3 0 354.470 -0.025 20 0 FBADRP C[N@@H+]1C[C@H](C(=O)N2C[C@H](CF)[C@@H](C3([NH3+])CC3)C2)OC2(CC[NH2+]CC2)C1 ZINC001158567865 843866373 /nfs/dbraw/zinc/86/63/73/843866373.db2.gz LGILUCDXSQRELD-SOUVJXGZSA-N 3 0 354.470 -0.025 20 0 FBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N1C[C@H](C2([NH3+])CC2)[C@H](CF)C1 ZINC001158577096 843866427 /nfs/dbraw/zinc/86/64/27/843866427.db2.gz GJHXHOZVLYCQCX-AGIUHOORSA-N 2 0 358.458 -0.220 20 0 FBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1 ZINC001158577098 843866455 /nfs/dbraw/zinc/86/64/55/843866455.db2.gz GJHXHOZVLYCQCX-AVGNSLFASA-N 2 0 358.458 -0.220 20 0 FBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158577100 843866101 /nfs/dbraw/zinc/86/61/01/843866101.db2.gz GJHXHOZVLYCQCX-UPJWGTAASA-N 2 0 358.458 -0.220 20 0 FBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N1C[C@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158577101 843866140 /nfs/dbraw/zinc/86/61/40/843866140.db2.gz GJHXHOZVLYCQCX-XQQFMLRXSA-N 2 0 358.458 -0.220 20 0 FBADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2C[C@H](CF)[C@@H](C3([NH3+])CC3)C2)COC1(C)C ZINC001158579245 843866475 /nfs/dbraw/zinc/86/64/75/843866475.db2.gz QKYXTPPPNGMHPG-CYDGBPFRSA-N 2 0 356.442 -0.168 20 0 FBADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2C[C@@H](CF)[C@H](C3([NH3+])CC3)C2)COC1(C)C ZINC001158579246 843866680 /nfs/dbraw/zinc/86/66/80/843866680.db2.gz QKYXTPPPNGMHPG-LOWDOPEQSA-N 2 0 356.442 -0.168 20 0 FBADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2C[C@H](C3([NH3+])CC3)[C@H](CF)C2)COC1(C)C ZINC001158579247 843866767 /nfs/dbraw/zinc/86/67/67/843866767.db2.gz QKYXTPPPNGMHPG-RNJOBUHISA-N 2 0 356.442 -0.168 20 0 FBADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2C[C@H](CF)[C@H](C3([NH3+])CC3)C2)COC1(C)C ZINC001158579248 843866515 /nfs/dbraw/zinc/86/65/15/843866515.db2.gz QKYXTPPPNGMHPG-RVMXOQNASA-N 2 0 356.442 -0.168 20 0 FBADRP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001158626036 843866603 /nfs/dbraw/zinc/86/66/03/843866603.db2.gz CIHCUWTWVOWRMO-FZKCQIBNSA-N 3 0 353.511 -0.015 20 0 FBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1C[C@@H](N2CCCC2=O)[C@H]2OCCC[C@H]2C1 ZINC001158698641 843867545 /nfs/dbraw/zinc/86/75/45/843867545.db2.gz QRGBISSQEPNXKL-AYDFFVQHSA-N 2 0 370.519 -0.366 20 0 FBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1C[C@@H](NC(=O)CC2CC2)[C@H]2OCCC[C@H]2C1 ZINC001158715261 843868176 /nfs/dbraw/zinc/86/81/76/843868176.db2.gz HHPCSCBJHZYWSL-HWMZRRJGSA-N 2 0 352.479 -0.025 20 0 FBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1C[C@@H](NC(=O)CC2CC2)[C@H]2OCCC[C@H]2C1 ZINC001158715264 843868362 /nfs/dbraw/zinc/86/83/62/843868362.db2.gz HHPCSCBJHZYWSL-MPTYRVRUSA-N 2 0 352.479 -0.025 20 0 FBADRP [NH3+]CCC[NH2+]CC(=O)N1C[C@@H](NC(=O)CC2CC2)[C@H]2OCCC[C@H]2C1 ZINC001158715842 843868282 /nfs/dbraw/zinc/86/82/82/843868282.db2.gz PECYEKUBXJNDOR-DAYGRLMNSA-N 2 0 352.479 -0.153 20 0 FBADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)[C@@H](N)CCCC[NH3+] ZINC001158734539 843867871 /nfs/dbraw/zinc/86/78/71/843867871.db2.gz CLHGNZNBYHXZAQ-NSHDSACASA-N 3 0 359.452 -0.935 20 0 FBADRP C[C@H]1CC[NH2+][C@@H](C(=O)N(Cc2noc3c2C[NH2+]CC3)S(C)(=O)=O)C1 ZINC001158734580 843867742 /nfs/dbraw/zinc/86/77/42/843867742.db2.gz CZHXQNSTSWBNCK-CMPLNLGQSA-N 2 0 356.448 -0.003 20 0 FBADRP C[C@H]1CC[NH2+][C@H](C(=O)N(Cc2noc3c2C[NH2+]CC3)S(C)(=O)=O)C1 ZINC001158734583 843868484 /nfs/dbraw/zinc/86/84/84/843868484.db2.gz CZHXQNSTSWBNCK-JQWIXIFHSA-N 2 0 356.448 -0.003 20 0 FBADRP C[C@@H]1CC[NH2+][C@H](C(=O)N(Cc2noc3c2C[NH2+]CC3)S(C)(=O)=O)C1 ZINC001158734585 843868022 /nfs/dbraw/zinc/86/80/22/843868022.db2.gz CZHXQNSTSWBNCK-PWSUYJOCSA-N 2 0 356.448 -0.003 20 0 FBADRP C[C@@H]1CC[NH2+][C@@H](C(=O)N(Cc2noc3c2C[NH2+]CC3)S(C)(=O)=O)C1 ZINC001158734587 843868378 /nfs/dbraw/zinc/86/83/78/843868378.db2.gz CZHXQNSTSWBNCK-ZYHUDNBSSA-N 2 0 356.448 -0.003 20 0 FBADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)[C@H]1CC[NH2+]C[C@H]1F ZINC001158734785 843867975 /nfs/dbraw/zinc/86/79/75/843867975.db2.gz FHPAMRGSRCTECX-GXSJLCMTSA-N 2 0 360.411 -0.444 20 0 FBADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)[C@@H]1CC[NH2+]C[C@@H]1F ZINC001158734786 843867899 /nfs/dbraw/zinc/86/78/99/843867899.db2.gz FHPAMRGSRCTECX-KOLCDFICSA-N 2 0 360.411 -0.444 20 0 FBADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)[C@@H]1CC[NH2+]C[C@H]1F ZINC001158734787 843868544 /nfs/dbraw/zinc/86/85/44/843868544.db2.gz FHPAMRGSRCTECX-MWLCHTKSSA-N 2 0 360.411 -0.444 20 0 FBADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)[C@H]1CC[NH2+]C[C@@H]1F ZINC001158734788 843868469 /nfs/dbraw/zinc/86/84/69/843868469.db2.gz FHPAMRGSRCTECX-ONGXEEELSA-N 2 0 360.411 -0.444 20 0 FBADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)CC1CC[NH2+]CC1 ZINC001158734896 843868529 /nfs/dbraw/zinc/86/85/29/843868529.db2.gz HNZCSUQJMNOBAE-UHFFFAOYSA-N 2 0 356.448 -0.002 20 0 FBADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)c1cnc(CN)s1 ZINC001158734964 843867691 /nfs/dbraw/zinc/86/76/91/843867691.db2.gz IJMMXIJQINITBA-UHFFFAOYSA-N 2 0 371.444 -0.163 20 0 FBADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)C[C@H]1CCC[NH2+]C1 ZINC001158734973 843868242 /nfs/dbraw/zinc/86/82/42/843868242.db2.gz IRCBTZJCZOEKLN-LLVKDONJSA-N 2 0 356.448 -0.002 20 0 FBADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC001158734974 843868129 /nfs/dbraw/zinc/86/81/29/843868129.db2.gz IRCBTZJCZOEKLN-NSHDSACASA-N 2 0 356.448 -0.002 20 0 FBADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001158734989 843868503 /nfs/dbraw/zinc/86/85/03/843868503.db2.gz JADXLFVPYVPSFI-NSHDSACASA-N 3 0 373.479 -0.545 20 0 FBADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N(Cc1noc2c1C[NH2+]CC2)S(C)(=O)=O ZINC001158735034 843868521 /nfs/dbraw/zinc/86/85/21/843868521.db2.gz LEGRCAJSUMORJT-GHMZBOCLSA-N 2 0 356.448 -0.003 20 0 FBADRP C[C@H]1[NH2+]CCC[C@@H]1C(=O)N(Cc1noc2c1C[NH2+]CC2)S(C)(=O)=O ZINC001158735035 843867834 /nfs/dbraw/zinc/86/78/34/843867834.db2.gz LEGRCAJSUMORJT-MNOVXSKESA-N 2 0 356.448 -0.003 20 0 FBADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N(Cc1noc2c1C[NH2+]CC2)S(C)(=O)=O ZINC001158735036 843868414 /nfs/dbraw/zinc/86/84/14/843868414.db2.gz LEGRCAJSUMORJT-QWRGUYRKSA-N 2 0 356.448 -0.003 20 0 FBADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N(Cc1noc2c1C[NH2+]CC2)S(C)(=O)=O ZINC001158735037 843868085 /nfs/dbraw/zinc/86/80/85/843868085.db2.gz LEGRCAJSUMORJT-WDEREUQCSA-N 2 0 356.448 -0.003 20 0 FBADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)[C@@H](N)CC(F)F ZINC001158735558 843868056 /nfs/dbraw/zinc/86/80/56/843868056.db2.gz VJDMEZQTAWQGRO-QMMMGPOBSA-N 2 0 352.363 -0.409 20 0 FBADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)C=C1CC[NH2+]CC1 ZINC001158735563 843868397 /nfs/dbraw/zinc/86/83/97/843868397.db2.gz VKWILPZGBPQSCE-UHFFFAOYSA-N 2 0 354.432 -0.082 20 0 FBADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)C1CC2(C[NH2+]C2)C1 ZINC001158735599 843868004 /nfs/dbraw/zinc/86/80/04/843868004.db2.gz VWSCTNFKBZQKQY-UHFFFAOYSA-N 2 0 354.432 -0.392 20 0 FBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N(Cc1noc2c1C[NH2+]CC2)S(C)(=O)=O ZINC001158735969 843868430 /nfs/dbraw/zinc/86/84/30/843868430.db2.gz XJJLTVPCTXEOTA-LBPRGKRZSA-N 3 0 373.479 -0.675 20 0 FBADRP CN(C)C(=O)COCc1noc2c1CN(C(=O)[C@H]([NH3+])CCC[NH3+])CC2 ZINC001158746403 843869213 /nfs/dbraw/zinc/86/92/13/843869213.db2.gz DVLOQNDNZLATSM-GFCCVEGCSA-N 2 0 353.423 -0.770 20 0 FBADRP CN(C)C(=O)COCc1noc2c1CN(C(=O)[C@@H]([NH3+])CCC[NH3+])CC2 ZINC001158746405 843868983 /nfs/dbraw/zinc/86/89/83/843868983.db2.gz DVLOQNDNZLATSM-LBPRGKRZSA-N 2 0 353.423 -0.770 20 0 FBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1C[C@@H]2COC[C@H](C(=O)N3CCCCO3)[C@@H]2C1 ZINC001158747618 843868780 /nfs/dbraw/zinc/86/87/80/843868780.db2.gz DUEZJOMAWLENFB-APIJFGDWSA-N 2 0 354.451 -0.672 20 0 FBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1C[C@@H]2COC[C@H](C(=O)N3CCCCO3)[C@@H]2C1 ZINC001158747619 843869144 /nfs/dbraw/zinc/86/91/44/843869144.db2.gz DUEZJOMAWLENFB-KBXIAJHMSA-N 2 0 354.451 -0.672 20 0 FBADRP [NH3+]CCC[NH2+]CC(=O)N1C[C@@H]2COC[C@H](C(=O)N3CCCCO3)[C@@H]2C1 ZINC001158747921 843869047 /nfs/dbraw/zinc/86/90/47/843869047.db2.gz LNNGNMHWPGFLOY-KFWWJZLASA-N 2 0 354.451 -0.800 20 0 FBADRP CC(C)N(C(=O)[C@@H]([NH3+])CSCC[NH3+])c1ncnc2c1CC[NH2+]CC2 ZINC001158759236 843869229 /nfs/dbraw/zinc/86/92/29/843869229.db2.gz MKMLIHUWAXXAKO-ZDUSSCGKSA-N 3 0 352.508 -0.075 20 0 FBADRP CNC(=O)CO[C@@H]1COC2(C1)CCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])CC2 ZINC001158810584 843870176 /nfs/dbraw/zinc/87/01/76/843870176.db2.gz IFASYNJZVSOYKD-KBPBESRZSA-N 2 0 356.467 -0.645 20 0 FBADRP CNC(=O)CO[C@H]1COC2(C1)CCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])CC2 ZINC001158810585 843869811 /nfs/dbraw/zinc/86/98/11/843869811.db2.gz IFASYNJZVSOYKD-KGLIPLIRSA-N 2 0 356.467 -0.645 20 0 FBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCc2onc(Cn3ccnc3)c2C1 ZINC001158822735 843870849 /nfs/dbraw/zinc/87/08/49/843870849.db2.gz ZHEUFGAOZPOWBV-LBPRGKRZSA-N 2 0 350.448 -0.177 20 0 FBADRP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)CNC1CC[NH2+]CC1)CC2 ZINC001158890159 843870935 /nfs/dbraw/zinc/87/09/35/843870935.db2.gz ATLULKLIUIODAR-UHFFFAOYSA-N 2 0 351.495 -0.469 20 0 FBADRP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)[C@H](CCCC[NH3+])[NH2+]C)CC2 ZINC001158890693 843870747 /nfs/dbraw/zinc/87/07/47/843870747.db2.gz KLDLNZFOLJQDMJ-HNNXBMFYSA-N 3 0 353.511 -0.094 20 0 FBADRP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)CC2 ZINC001158890725 843870485 /nfs/dbraw/zinc/87/04/85/843870485.db2.gz LJKUXRDEBPQLMC-INIZCTEOSA-N 3 0 351.495 -0.484 20 0 FBADRP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)[C@H]([NH3+])C1CC[NH2+]CC1)CC2 ZINC001158890726 843870995 /nfs/dbraw/zinc/87/09/95/843870995.db2.gz LJKUXRDEBPQLMC-MRXNPFEDSA-N 3 0 351.495 -0.484 20 0 FBADRP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)CCCCNC(N)=[NH2+])CC2 ZINC001158890830 843870434 /nfs/dbraw/zinc/87/04/34/843870434.db2.gz OCYCKXZSDMIQKK-UHFFFAOYSA-N 2 0 352.483 -0.157 20 0 FBADRP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)[C@@H]([NH3+])CC[S@@](C)=O)CC2 ZINC001158890859 843870405 /nfs/dbraw/zinc/87/04/05/843870405.db2.gz OXXHDJCQQLNGGL-RKNYENMMSA-N 2 0 358.508 -0.715 20 0 FBADRP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)[C@@H]([NH3+])CC[S@](C)=O)CC2 ZINC001158890860 843870463 /nfs/dbraw/zinc/87/04/63/843870463.db2.gz OXXHDJCQQLNGGL-RZFZLAGVSA-N 2 0 358.508 -0.715 20 0 FBADRP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CC2 ZINC001158891341 843871063 /nfs/dbraw/zinc/87/10/63/843871063.db2.gz XIUKCBIYLJBTFW-ZDUSSCGKSA-N 3 0 357.524 -0.791 20 0 FBADRP O=C([C@@H]1C[NH2+]C[C@@H]1O)N(c1ncccc1F)[C@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001158900583 843871456 /nfs/dbraw/zinc/87/14/56/843871456.db2.gz CWKIPEJJTDYAFQ-ALYFQZSWSA-N 2 0 350.394 -0.345 20 0 FBADRP O=C([C@@H]1C[NH2+]C[C@@H]1O)N(c1ncccc1F)[C@@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001158900589 843871817 /nfs/dbraw/zinc/87/18/17/843871817.db2.gz CWKIPEJJTDYAFQ-GMIGKAJZSA-N 2 0 350.394 -0.345 20 0 FBADRP O=C([C@@H]1C[NH2+]C[C@@H]1O)N(c1ncccc1F)[C@@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001158900593 843871535 /nfs/dbraw/zinc/87/15/35/843871535.db2.gz CWKIPEJJTDYAFQ-IFOZYUSPSA-N 2 0 350.394 -0.345 20 0 FBADRP O=C([C@@H]1C[NH2+]C[C@@H]1O)N(c1ncccc1F)[C@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001158900598 843871718 /nfs/dbraw/zinc/87/17/18/843871718.db2.gz CWKIPEJJTDYAFQ-WOKLECCJSA-N 2 0 350.394 -0.345 20 0 FBADRP O=C([C@H]1[NH2+]CC[C@@H]1O)N(c1ncccc1F)[C@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001158902834 843871258 /nfs/dbraw/zinc/87/12/58/843871258.db2.gz LEUNVJRNMFOUER-LRCAOYNASA-N 2 0 350.394 -0.203 20 0 FBADRP O=C([C@H]1[NH2+]CC[C@@H]1O)N(c1ncccc1F)[C@@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001158902836 843871692 /nfs/dbraw/zinc/87/16/92/843871692.db2.gz LEUNVJRNMFOUER-MJFSBKNWSA-N 2 0 350.394 -0.203 20 0 FBADRP O=C([C@H]1[NH2+]CC[C@@H]1O)N(c1ncccc1F)[C@@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001158902838 843871865 /nfs/dbraw/zinc/87/18/65/843871865.db2.gz LEUNVJRNMFOUER-PLNCSYRRSA-N 2 0 350.394 -0.203 20 0 FBADRP O=C([C@H]1[NH2+]CC[C@@H]1O)N(c1ncccc1F)[C@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001158902840 843871641 /nfs/dbraw/zinc/87/16/41/843871641.db2.gz LEUNVJRNMFOUER-YSLLHCQFSA-N 2 0 350.394 -0.203 20 0 FBADRP O=C([C@H]1C[C@@H](O)C[NH2+]1)N(c1ncccc1F)[C@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001158904057 843871777 /nfs/dbraw/zinc/87/17/77/843871777.db2.gz RHGMCTZDODLNER-CTWCOEIASA-N 2 0 350.394 -0.203 20 0 FBADRP O=C([C@@H]1C[C@H](O)C[NH2+]1)N(c1ncccc1F)[C@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001158904059 843871367 /nfs/dbraw/zinc/87/13/67/843871367.db2.gz RHGMCTZDODLNER-CXUUEIJPSA-N 2 0 350.394 -0.203 20 0 FBADRP O=C([C@@H]1C[C@H](O)C[NH2+]1)N(c1ncccc1F)[C@@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001158904060 843871633 /nfs/dbraw/zinc/87/16/33/843871633.db2.gz RHGMCTZDODLNER-GWIFVGGISA-N 2 0 350.394 -0.203 20 0 FBADRP O=C([C@H]1C[C@@H](O)C[NH2+]1)N(c1ncccc1F)[C@@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001158904063 843871384 /nfs/dbraw/zinc/87/13/84/843871384.db2.gz RHGMCTZDODLNER-HSTIPLNKSA-N 2 0 350.394 -0.203 20 0 FBADRP O=C([C@H]1C[C@@H](O)C[NH2+]1)N(c1ncccc1F)[C@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001158904067 843871544 /nfs/dbraw/zinc/87/15/44/843871544.db2.gz RHGMCTZDODLNER-LGIULTMTSA-N 2 0 350.394 -0.203 20 0 FBADRP O=C([C@@H]1C[C@H](O)C[NH2+]1)N(c1ncccc1F)[C@@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001158904070 843871810 /nfs/dbraw/zinc/87/18/10/843871810.db2.gz RHGMCTZDODLNER-MYLCLEHYSA-N 2 0 350.394 -0.203 20 0 FBADRP O=C([C@@H]1C[C@H](O)C[NH2+]1)N(c1ncccc1F)[C@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001158904073 843871626 /nfs/dbraw/zinc/87/16/26/843871626.db2.gz RHGMCTZDODLNER-NVNVUAJTSA-N 2 0 350.394 -0.203 20 0 FBADRP O=C([C@H]1C[C@@H](O)C[NH2+]1)N(c1ncccc1F)[C@@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001158904077 843871848 /nfs/dbraw/zinc/87/18/48/843871848.db2.gz RHGMCTZDODLNER-RKCSVJPLSA-N 2 0 350.394 -0.203 20 0 FBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@H]1CC(=O)N2Cc1cccnc1 ZINC001158934926 843871933 /nfs/dbraw/zinc/87/19/33/843871933.db2.gz LHMWJLQMWRLHSG-RRFJBIMHSA-N 2 0 363.487 -0.197 20 0 FBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H]1CC(=O)N2Cc1cccnc1 ZINC001158934928 843871877 /nfs/dbraw/zinc/87/18/77/843871877.db2.gz LHMWJLQMWRLHSG-SOUVJXGZSA-N 2 0 363.487 -0.197 20 0 FBADRP CS(=O)(=O)c1nc2c(c(N3CC4(C3)CCC[NH2+]C4)n1)CC[NH2+]CC2 ZINC001159018593 843875606 /nfs/dbraw/zinc/87/56/06/843875606.db2.gz ULLDTPQUIUTPGF-UHFFFAOYSA-N 2 0 351.476 -0.242 20 0 FBADRP COC[C@@H]1CN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)Cc2cn(C)nc21 ZINC001159029553 843876079 /nfs/dbraw/zinc/87/60/79/843876079.db2.gz KIXPQLHMGLPXFZ-DZGCQCFKSA-N 2 0 350.467 -0.757 20 0 FBADRP COC[C@H]1CN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)Cc2cn(C)nc21 ZINC001159029554 843876676 /nfs/dbraw/zinc/87/66/76/843876676.db2.gz KIXPQLHMGLPXFZ-HIFRSBDPSA-N 2 0 350.467 -0.757 20 0 FBADRP COC[C@H]1CN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)Cc2cn(C)nc21 ZINC001159029555 843876189 /nfs/dbraw/zinc/87/61/89/843876189.db2.gz KIXPQLHMGLPXFZ-UKRRQHHQSA-N 2 0 350.467 -0.757 20 0 FBADRP COC[C@@H]1CN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)Cc2cn(C)nc21 ZINC001159029557 843876583 /nfs/dbraw/zinc/87/65/83/843876583.db2.gz KIXPQLHMGLPXFZ-ZFWWWQNUSA-N 2 0 350.467 -0.757 20 0 FBADRP CS(=O)(=O)c1nc2c(c(N3CCC4(C[NH2+]C4)CC3)n1)CC[NH2+]CC2 ZINC001159039630 843876299 /nfs/dbraw/zinc/87/62/99/843876299.db2.gz GGOQOVKBSFNFBG-UHFFFAOYSA-N 2 0 351.476 -0.242 20 0 FBADRP CN(C)C(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)C[C@@H]21 ZINC001159048755 843876407 /nfs/dbraw/zinc/87/64/07/843876407.db2.gz XBAZTWIYCZBOOL-APIJFGDWSA-N 2 0 350.463 -0.863 20 0 FBADRP CN(C)C(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)C[C@@H]21 ZINC001159048756 843875902 /nfs/dbraw/zinc/87/59/02/843875902.db2.gz XBAZTWIYCZBOOL-KBUPBQIOSA-N 2 0 350.463 -0.863 20 0 FBADRP COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1C(=O)[C@H]([NH3+])CCC[NH3+] ZINC001159075217 843876123 /nfs/dbraw/zinc/87/61/23/843876123.db2.gz FENDORQLCKLVAP-CPUCHLNUSA-N 2 0 356.467 -0.693 20 0 FBADRP COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1C(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001159075218 843876350 /nfs/dbraw/zinc/87/63/50/843876350.db2.gz FENDORQLCKLVAP-KEYYUXOJSA-N 2 0 356.467 -0.693 20 0 FBADRP COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1C(=O)[C@H]([NH3+])CCC[NH3+] ZINC001159075219 843875875 /nfs/dbraw/zinc/87/58/75/843875875.db2.gz FENDORQLCKLVAP-VBQJREDUSA-N 2 0 356.467 -0.693 20 0 FBADRP COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1C(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001159075220 843876237 /nfs/dbraw/zinc/87/62/37/843876237.db2.gz FENDORQLCKLVAP-ZQIUZPCESA-N 2 0 356.467 -0.693 20 0 FBADRP COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1C(=O)C[NH2+]CCC[NH3+] ZINC001159078747 843876513 /nfs/dbraw/zinc/87/65/13/843876513.db2.gz ZDBTYUYQCYYTCA-PBHICJAKSA-N 2 0 356.467 -0.820 20 0 FBADRP COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1C(=O)C[NH2+]CCC[NH3+] ZINC001159078753 843876258 /nfs/dbraw/zinc/87/62/58/843876258.db2.gz ZDBTYUYQCYYTCA-RHSMWYFYSA-N 2 0 356.467 -0.820 20 0 FBADRP COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1C(=O)C[NH2+]CCC[NH3+] ZINC001159078755 843876453 /nfs/dbraw/zinc/87/64/53/843876453.db2.gz ZDBTYUYQCYYTCA-WMLDXEAASA-N 2 0 356.467 -0.820 20 0 FBADRP COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1C(=O)C[NH2+]CCC[NH3+] ZINC001159078757 843875948 /nfs/dbraw/zinc/87/59/48/843875948.db2.gz ZDBTYUYQCYYTCA-YOEHRIQHSA-N 2 0 356.467 -0.820 20 0 FBADRP Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)[C@@H]([NH3+])CSCC[NH3+])cn1 ZINC001159083907 843876154 /nfs/dbraw/zinc/87/61/54/843876154.db2.gz BSPQDRFGRSBTBZ-RWMBFGLXSA-N 2 0 352.464 -0.855 20 0 FBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCc2nnc(Cn3cccc3)n2CC1 ZINC001159103642 843877489 /nfs/dbraw/zinc/87/74/89/843877489.db2.gz ULHRQICBBYRURX-ZDUSSCGKSA-N 2 0 363.491 -0.468 20 0 FBADRP CNC(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)[C@]34C[NH2+]C[C@H]3C[NH2+]CC4)C[C@H]21 ZINC001159108757 843877562 /nfs/dbraw/zinc/87/75/62/843877562.db2.gz FXEGTOHCJKOPRO-VPKNTQAGSA-N 2 0 350.463 -0.815 20 0 FBADRP C[C@@H](C[NH3+])C(=O)N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001159123028 843877549 /nfs/dbraw/zinc/87/75/49/843877549.db2.gz CQPDLQKGUWJBJU-DZGCQCFKSA-N 2 0 350.467 -0.052 20 0 FBADRP C[C@@H](C[NH3+])C(=O)N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001159123029 843876998 /nfs/dbraw/zinc/87/69/98/843876998.db2.gz CQPDLQKGUWJBJU-ZFWWWQNUSA-N 2 0 350.467 -0.052 20 0 FBADRP C[NH2+]CCC(=O)N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001159123959 843877021 /nfs/dbraw/zinc/87/70/21/843877021.db2.gz LHFCGSIHUBSLQT-HNNXBMFYSA-N 2 0 350.467 -0.037 20 0 FBADRP C[NH2+]CCC(=O)N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001159123960 843877925 /nfs/dbraw/zinc/87/79/25/843877925.db2.gz LHFCGSIHUBSLQT-OAHLLOKOSA-N 2 0 350.467 -0.037 20 0 FBADRP CC(=O)NC[C@H]1c2ncn(C(C)C)c2CCN1C(=O)C[NH2+]CCC[NH3+] ZINC001159124944 843877599 /nfs/dbraw/zinc/87/75/99/843877599.db2.gz AIAGTZOWFXLWKQ-HNNXBMFYSA-N 2 0 350.467 -0.036 20 0 FBADRP CC(=O)NC[C@@H]1c2ncn(C(C)C)c2CCN1C(=O)C[NH2+]CCC[NH3+] ZINC001159124945 843877473 /nfs/dbraw/zinc/87/74/73/843877473.db2.gz AIAGTZOWFXLWKQ-OAHLLOKOSA-N 2 0 350.467 -0.036 20 0 FBADRP C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)[C@H]([NH3+])CCCNC(N)=O)C1 ZINC001159133898 843877755 /nfs/dbraw/zinc/87/77/55/843877755.db2.gz KUKHQLBYMCNPAN-CHWSQXEVSA-N 2 0 351.455 -0.821 20 0 FBADRP C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)[C@H]([NH3+])CCCNC(N)=O)C1 ZINC001159133900 843877612 /nfs/dbraw/zinc/87/76/12/843877612.db2.gz KUKHQLBYMCNPAN-QWHCGFSZSA-N 2 0 351.455 -0.821 20 0 FBADRP CN(C)C(=O)COC[C@H]1CC[C@@H]2[C@@H](CCN2C(=O)[C@H]([NH3+])CCC[NH3+])O1 ZINC001159136069 843877775 /nfs/dbraw/zinc/87/77/75/843877775.db2.gz LDVCGKNVIQFYOJ-KBUPBQIOSA-N 2 0 356.467 -0.694 20 0 FBADRP CN(C)C(=O)COC[C@H]1CC[C@@H]2[C@@H](CCN2C(=O)[C@@H]([NH3+])CCC[NH3+])O1 ZINC001159136070 843877897 /nfs/dbraw/zinc/87/78/97/843877897.db2.gz LDVCGKNVIQFYOJ-LXTVHRRPSA-N 2 0 356.467 -0.694 20 0 FBADRP CN(C)C(=O)COC[C@H]1CC[C@@H]2[C@@H](CCN2C(=O)C[NH2+]CCC[NH3+])O1 ZINC001159136537 843877960 /nfs/dbraw/zinc/87/79/60/843877960.db2.gz XVSCVMUKENJWJW-RBSFLKMASA-N 2 0 356.467 -0.822 20 0 FBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001159158015 843877125 /nfs/dbraw/zinc/87/71/25/843877125.db2.gz KNKRYVSKZGTRKG-HNNXBMFYSA-N 3 0 366.535 -0.117 20 0 FBADRP C[S@](=O)CC[C@H]([NH3+])C(=O)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001159158862 843877290 /nfs/dbraw/zinc/87/72/90/843877290.db2.gz TXKAYWLOJBAPHP-MQNRADLISA-N 2 0 367.519 -0.041 20 0 FBADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001159158864 843877164 /nfs/dbraw/zinc/87/71/64/843877164.db2.gz TXKAYWLOJBAPHP-ODCWNRFASA-N 2 0 367.519 -0.041 20 0 FBADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@@H]([NH3+])CC(F)F)CC2 ZINC001159191457 843878422 /nfs/dbraw/zinc/87/84/22/843878422.db2.gz GRAOTGYNBALZIW-JTQLQIEISA-N 2 0 359.377 -0.167 20 0 FBADRP CN(C)C(=O)NC[C@H]1OC[C@@H]2CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C[C@@H]21 ZINC001159202480 843878319 /nfs/dbraw/zinc/87/83/19/843878319.db2.gz IBNWHUTTWVIGRB-XDQVBPFNSA-N 2 0 373.523 -0.860 20 0 FBADRP CN(C)C(=O)NC[C@H]1OC[C@@H]2CCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C[C@@H]21 ZINC001159203852 843878585 /nfs/dbraw/zinc/87/85/85/843878585.db2.gz SWDJARGEJCBESO-ZQDZILKHSA-N 2 0 355.483 -0.423 20 0 FBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1C[C@@H](OCc2cccnc2)[C@H]2COC[C@H]21 ZINC001159210653 843878478 /nfs/dbraw/zinc/87/84/78/843878478.db2.gz UDLACXQSXVOEDT-CAOSSQGBSA-N 2 0 366.487 -0.157 20 0 FBADRP Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CCN3C(=O)[C@@H]([NH3+])CSCC[NH3+])cn1 ZINC001159235827 843878685 /nfs/dbraw/zinc/87/86/85/843878685.db2.gz DUYVNSNQWZTKCA-MELADBBJSA-N 2 0 366.491 -0.745 20 0 FBADRP Cc1ccc(N2CCO[C@H]3CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C[C@H]32)nn1 ZINC001159299429 843879105 /nfs/dbraw/zinc/87/91/05/843879105.db2.gz ZEQWCZGBHQYVKG-MJBXVCDLSA-N 2 0 366.491 -0.780 20 0 FBADRP CCN1CC[C@@]2(CN(C(=O)[C@H]([NH3+])CN3CCC([NH3+])CC3)C[C@@H]2C)C1=O ZINC001159317987 843879066 /nfs/dbraw/zinc/87/90/66/843879066.db2.gz GLOVWCHTOINZQZ-JOQOYGCGSA-N 2 0 351.495 -0.546 20 0 FBADRP CCN1CC[C@@]2(CN(C(=O)[C@@H]([NH3+])CN3CCC([NH3+])CC3)C[C@@H]2C)C1=O ZINC001159317988 843879367 /nfs/dbraw/zinc/87/93/67/843879367.db2.gz GLOVWCHTOINZQZ-YEWWUXTCSA-N 2 0 351.495 -0.546 20 0 FBADRP C[C@@H]([NH3+])C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159393901 843880312 /nfs/dbraw/zinc/88/03/12/843880312.db2.gz IREGQLBTUORQBX-JIMOISOXSA-N 2 0 365.459 -0.835 20 0 FBADRP Nc1ncn(-c2cncc(C[NH3+])c2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001159394669 843880002 /nfs/dbraw/zinc/88/00/02/843880002.db2.gz AHFUKXNYHYXVLA-AAEUAGOBSA-N 2 0 363.853 -0.167 20 0 FBADRP Nc1ncn(-c2cncc(C[NH3+])c2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001159394672 843880376 /nfs/dbraw/zinc/88/03/76/843880376.db2.gz AHFUKXNYHYXVLA-DGCLKSJQSA-N 2 0 363.853 -0.167 20 0 FBADRP Nc1ncn(-c2cncc(C[NH3+])c2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001159394675 843880509 /nfs/dbraw/zinc/88/05/09/843880509.db2.gz AHFUKXNYHYXVLA-WCQYABFASA-N 2 0 363.853 -0.167 20 0 FBADRP Nc1ncn(-c2cncc(C[NH3+])c2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001159394678 843880131 /nfs/dbraw/zinc/88/01/31/843880131.db2.gz AHFUKXNYHYXVLA-YPMHNXCESA-N 2 0 363.853 -0.167 20 0 FBADRP Nc1ncn(-c2ccncc2C[NH3+])c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001159401869 843880461 /nfs/dbraw/zinc/88/04/61/843880461.db2.gz BFXVAIMOQKEUJQ-GWCFXTLKSA-N 2 0 363.853 -0.167 20 0 FBADRP Nc1ncn(-c2ccncc2C[NH3+])c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001159401871 843881605 /nfs/dbraw/zinc/88/16/05/843881605.db2.gz BFXVAIMOQKEUJQ-GXFFZTMASA-N 2 0 363.853 -0.167 20 0 FBADRP Nc1ncn(-c2ccncc2C[NH3+])c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001159401872 843881285 /nfs/dbraw/zinc/88/12/85/843881285.db2.gz BFXVAIMOQKEUJQ-MFKMUULPSA-N 2 0 363.853 -0.167 20 0 FBADRP Nc1ncn(-c2ccncc2C[NH3+])c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001159401873 843881409 /nfs/dbraw/zinc/88/14/09/843881409.db2.gz BFXVAIMOQKEUJQ-ZWNOBZJWSA-N 2 0 363.853 -0.167 20 0 FBADRP CCN1C[C@H]2CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CC[C@H]2S1(=O)=O ZINC001159403105 843881079 /nfs/dbraw/zinc/88/10/79/843881079.db2.gz FNMWVDQALIUYMQ-FRRDWIJNSA-N 2 0 364.537 -0.722 20 0 FBADRP CCN1C[C@H]2CCN(C(=O)[C@]34C[NH2+]C[C@H]3C[NH2+]CC4)CC[C@H]2S1(=O)=O ZINC001159404485 843880961 /nfs/dbraw/zinc/88/09/61/843880961.db2.gz RZTCPHCDJGCNRM-KCYZZUKISA-N 2 0 370.519 -0.542 20 0 FBADRP CCN1C[C@H]2CCN(C(=O)[C@@H]([NH3+])C3CC[NH2+]CC3)CC[C@H]2S1(=O)=O ZINC001159404542 843881256 /nfs/dbraw/zinc/88/12/56/843881256.db2.gz SKSCEMKSUZKGAF-KFWWJZLASA-N 2 0 358.508 -0.414 20 0 FBADRP CCN1C[C@H]2CCN(C(=O)[C@H]([NH3+])C3CC[NH2+]CC3)CC[C@H]2S1(=O)=O ZINC001159404561 843881456 /nfs/dbraw/zinc/88/14/56/843881456.db2.gz SKSCEMKSUZKGAF-RBSFLKMASA-N 2 0 358.508 -0.414 20 0 FBADRP CCN1C[C@H]2CCN(C(=O)[C@H](CCCC[NH3+])[NH2+]C)CC[C@H]2S1(=O)=O ZINC001159404905 843881337 /nfs/dbraw/zinc/88/13/37/843881337.db2.gz YSUIENFCBHGASW-QLFBSQMISA-N 2 0 360.524 -0.024 20 0 FBADRP C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)[C@@H]([NH3+])CC(F)F)CC3)CC1 ZINC001159424603 843882022 /nfs/dbraw/zinc/88/20/22/843882022.db2.gz KFKZHJYIZDPADL-ZDUSSCGKSA-N 2 0 356.421 -0.045 20 0 FBADRP CN(C)C(=O)NC[C@H]1CCC[C@]2(CCN(C(=O)C[NH2+]CCC[NH3+])C2)O1 ZINC001159450880 843883079 /nfs/dbraw/zinc/88/30/79/843883079.db2.gz RAQNKAYIXONYKC-RHSMWYFYSA-N 2 0 355.483 -0.264 20 0 FBADRP CN(C)C(=O)NC[C@H]1CCC[C@]2(CCN(C(=O)[C@H]([NH3+])CCC[NH3+])C2)O1 ZINC001159451582 843882959 /nfs/dbraw/zinc/88/29/59/843882959.db2.gz ZQBYGTFKVIALPB-CKEIUWERSA-N 2 0 355.483 -0.136 20 0 FBADRP CN(C)C(=O)NC[C@H]1CCC[C@]2(CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])C2)O1 ZINC001159451583 843883174 /nfs/dbraw/zinc/88/31/74/843883174.db2.gz ZQBYGTFKVIALPB-JKIFEVAISA-N 2 0 355.483 -0.136 20 0 FBADRP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)C[C@H](O)C[NH3+])CCC2 ZINC001159481408 843882917 /nfs/dbraw/zinc/88/29/17/843882917.db2.gz OIQCZHHUJVZCBY-AWEZNQCLSA-N 2 0 351.451 -0.475 20 0 FBADRP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)C[C@@H](O)C[NH3+])CCC2 ZINC001159481409 843883300 /nfs/dbraw/zinc/88/33/00/843883300.db2.gz OIQCZHHUJVZCBY-CQSZACIVSA-N 2 0 351.451 -0.475 20 0 FBADRP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)[C@@H](N)CC[NH3+])CCC2 ZINC001159481500 843882610 /nfs/dbraw/zinc/88/26/10/843882610.db2.gz RPBWWTKRDJDNOW-AWEZNQCLSA-N 2 0 350.467 -0.508 20 0 FBADRP C[C@H](Nc1nc(S(C)(=O)=O)nc2c1CC[NH2+]CC2)[C@@H]1C[NH2+]CCO1 ZINC001159490734 843882947 /nfs/dbraw/zinc/88/29/47/843882947.db2.gz YQOBPFCPALBJMS-GWCFXTLKSA-N 2 0 355.464 -0.643 20 0 FBADRP C[C@H](Nc1nc(S(C)(=O)=O)nc2c1CC[NH2+]CC2)[C@H]1C[NH2+]CCO1 ZINC001159490736 843882844 /nfs/dbraw/zinc/88/28/44/843882844.db2.gz YQOBPFCPALBJMS-GXFFZTMASA-N 2 0 355.464 -0.643 20 0 FBADRP C[C@@H](Nc1nc(S(C)(=O)=O)nc2c1CC[NH2+]CC2)[C@@H]1C[NH2+]CCO1 ZINC001159490737 843882930 /nfs/dbraw/zinc/88/29/30/843882930.db2.gz YQOBPFCPALBJMS-MFKMUULPSA-N 2 0 355.464 -0.643 20 0 FBADRP C[C@@H](Nc1nc(S(C)(=O)=O)nc2c1CC[NH2+]CC2)[C@H]1C[NH2+]CCO1 ZINC001159490740 843883040 /nfs/dbraw/zinc/88/30/40/843883040.db2.gz YQOBPFCPALBJMS-ZWNOBZJWSA-N 2 0 355.464 -0.643 20 0 FBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1Cc2[nH]nc(C(=O)N3CCOCC3)c2C1 ZINC001159491275 843882649 /nfs/dbraw/zinc/88/26/49/843882649.db2.gz BOVNEZAVZUFOBN-LBPRGKRZSA-N 2 0 350.423 -0.819 20 0 FBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCCn2nnc(Cn3ccnc3)c2C1 ZINC001159515648 843884281 /nfs/dbraw/zinc/88/42/81/843884281.db2.gz WDEQZPCMGZWVGK-LBPRGKRZSA-N 2 0 364.479 -0.726 20 0 FBADRP CC(=O)N(C)Cc1nnc2n1CCCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C2 ZINC001159519362 843883850 /nfs/dbraw/zinc/88/38/50/843883850.db2.gz HYKRUIGFCOELQC-ZDUSSCGKSA-N 2 0 351.455 -0.555 20 0 FBADRP CC(=O)N(C)Cc1nnc2n1CCCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C2 ZINC001159519626 843883665 /nfs/dbraw/zinc/88/36/65/843883665.db2.gz KHWSRUASWLNEBC-LBPRGKRZSA-N 2 0 369.495 -0.992 20 0 FBADRP CC(C)CC(=O)NC[C@]12COC[C@H]1CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C2 ZINC001159544325 843884160 /nfs/dbraw/zinc/88/41/60/843884160.db2.gz NGRWLUKTHGKZOI-KEYYUXOJSA-N 2 0 372.535 -0.357 20 0 FBADRP CC[C@H]1N(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)CCC[C@]12CCC(=O)N2 ZINC001159594548 843883942 /nfs/dbraw/zinc/88/39/42/843883942.db2.gz NQUYXTHYJOADAZ-DAYGRLMNSA-N 2 0 351.495 -0.213 20 0 FBADRP CC[C@H]1N(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CCC[C@]12CCC(=O)N2 ZINC001159594550 843885057 /nfs/dbraw/zinc/88/50/57/843885057.db2.gz NQUYXTHYJOADAZ-RKVPGOIHSA-N 2 0 351.495 -0.213 20 0 FBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1C[C@@H](NC(=O)C2CCC2)[C@H]2COC[C@H]21 ZINC001159598779 843884984 /nfs/dbraw/zinc/88/49/84/843884984.db2.gz DSDIVLMQGGMKSG-XJFOESAGSA-N 2 0 356.492 -0.852 20 0 FBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1C[C@@H](NC(=O)C2CCC2)[C@H]2COC[C@H]21 ZINC001159598792 843885221 /nfs/dbraw/zinc/88/52/21/843885221.db2.gz FIEWFWMWGPHHOE-QKPAOTATSA-N 2 0 352.479 -0.155 20 0 FBADRP [NH3+][C@H](C(=O)N1C[C@@H](NC(=O)C2CCC2)[C@H]2COC[C@H]21)C1CC[NH2+]CC1 ZINC001159598958 843884950 /nfs/dbraw/zinc/88/49/50/843884950.db2.gz HVLYQZRJILNHBG-FPCVCCKLSA-N 2 0 350.463 -0.545 20 0 FBADRP [NH3+][C@@H](C(=O)N1C[C@@H](NC(=O)C2CCC2)[C@H]2COC[C@H]21)C1CC[NH2+]CC1 ZINC001159598959 843884631 /nfs/dbraw/zinc/88/46/31/843884631.db2.gz HVLYQZRJILNHBG-KLHDSHLOSA-N 2 0 350.463 -0.545 20 0 FBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1C[C@@H](NC(=O)C2CCC2)[C@H]2COC[C@H]21 ZINC001159599270 843884838 /nfs/dbraw/zinc/88/48/38/843884838.db2.gz KFVISVXSZCTILE-ZJIFWQFVSA-N 2 0 352.479 -0.025 20 0 FBADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@H]1CC[C@@H]1[NH3+])CC2 ZINC001159610175 843884755 /nfs/dbraw/zinc/88/47/55/843884755.db2.gz MPBIZFZWIOPXGX-GJZGRUSLSA-N 2 0 351.495 -0.580 20 0 FBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CC[C@H]2O[C@@H](C(=O)N3CCCO3)CC[C@H]21 ZINC001159623014 843884703 /nfs/dbraw/zinc/88/47/03/843884703.db2.gz AMRXSCDVTVJOAK-REWJHTLYSA-N 2 0 372.491 -0.682 20 0 FBADRP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)CNC3CC[NH2+]CC3)CC[C@@H]2C1 ZINC001159635047 843886435 /nfs/dbraw/zinc/88/64/35/843886435.db2.gz GGLMKZYWLDJPTQ-NVXWUHKLSA-N 2 0 354.495 -0.476 20 0 FBADRP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CC[C@@H]2C1 ZINC001159635075 843886481 /nfs/dbraw/zinc/88/64/81/843886481.db2.gz GPSXRHGBSUFCLA-QLFBSQMISA-N 3 0 360.524 -0.799 20 0 FBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC[C@@H]2C[N@H+](CCOC)CCO[C@@H]2C1 ZINC001159635126 843885446 /nfs/dbraw/zinc/88/54/46/843885446.db2.gz HWNHKGVBTKUJED-IXDOHACOSA-N 3 0 356.511 -0.101 20 0 FBADRP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)CCCCNC(N)=[NH2+])CC[C@@H]2C1 ZINC001159635235 843885592 /nfs/dbraw/zinc/88/55/92/843885592.db2.gz ISMQGUPHXGNLEP-HUUCEWRRSA-N 2 0 355.483 -0.165 20 0 FBADRP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@H]([NH3+])Cc3cnc[nH]3)CC[C@@H]2C1 ZINC001159635347 843886146 /nfs/dbraw/zinc/88/61/46/843886146.db2.gz LSEBTALIQNTYKJ-FVQBIDKESA-N 2 0 351.451 -0.525 20 0 FBADRP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@@H]([NH3+])Cc3cnc[nH]3)CC[C@@H]2C1 ZINC001159635348 843886330 /nfs/dbraw/zinc/88/63/30/843886330.db2.gz LSEBTALIQNTYKJ-VNQPRFMTSA-N 2 0 351.451 -0.525 20 0 FBADRP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@@H]([NH3+])CC[S@](C)=O)CC[C@@H]2C1 ZINC001159635527 843886111 /nfs/dbraw/zinc/88/61/11/843886111.db2.gz OPAGJOXNHWBORU-CFJKZRSOSA-N 2 0 361.508 -0.722 20 0 FBADRP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@@H]([NH3+])CC[S@@](C)=O)CC[C@@H]2C1 ZINC001159635528 843885782 /nfs/dbraw/zinc/88/57/82/843885782.db2.gz OPAGJOXNHWBORU-XILIYIEPSA-N 2 0 361.508 -0.722 20 0 FBADRP COC[C@]12CCCO[C@@H]1CCN(C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)C2 ZINC001159635619 843885651 /nfs/dbraw/zinc/88/56/51/843885651.db2.gz PIGBGXIVLNASEO-JFIYKMOQSA-N 2 0 354.495 -0.219 20 0 FBADRP COC[C@]12CCCO[C@@H]1CCN(C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)C2 ZINC001159635621 843886394 /nfs/dbraw/zinc/88/63/94/843886394.db2.gz PIGBGXIVLNASEO-LZLYRXPVSA-N 2 0 354.495 -0.219 20 0 FBADRP COC[C@]12CCCO[C@H]1CCN(C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)C2 ZINC001159635623 843885888 /nfs/dbraw/zinc/88/58/88/843885888.db2.gz PIGBGXIVLNASEO-SOLBZPMBSA-N 2 0 354.495 -0.219 20 0 FBADRP COC[C@]12CCCO[C@H]1CCN(C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)C2 ZINC001159635625 843885815 /nfs/dbraw/zinc/88/58/15/843885815.db2.gz PIGBGXIVLNASEO-XYJFISCASA-N 2 0 354.495 -0.219 20 0 FBADRP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@@]34CC[C@@H](N3)[C@H]([NH3+])C4)CC[C@@H]2C1 ZINC001159636073 843886260 /nfs/dbraw/zinc/88/62/60/843886260.db2.gz REUOCKCUNKSVPA-HBPKQKSZSA-N 2 0 352.479 -0.596 20 0 FBADRP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@H]([NH3+])C3CC[NH2+]CC3)CC[C@@H]2C1 ZINC001159637035 843885519 /nfs/dbraw/zinc/88/55/19/843885519.db2.gz VYMKKJOCBVAYAH-BRWVUGGUSA-N 3 0 354.495 -0.491 20 0 FBADRP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@@H]([NH3+])C3CC[NH2+]CC3)CC[C@@H]2C1 ZINC001159637037 843885408 /nfs/dbraw/zinc/88/54/08/843885408.db2.gz VYMKKJOCBVAYAH-ZACQAIPSSA-N 3 0 354.495 -0.491 20 0 FBADRP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@@H]3C[C@H]4C[NH2+]C[C@H]4N3)CC[C@@H]2C1 ZINC001159637039 843886048 /nfs/dbraw/zinc/88/60/48/843886048.db2.gz VYZUDYPPUGMEOG-DRRXZNNHSA-N 2 0 352.479 -0.868 20 0 FBADRP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@@H]3CCN4)CC[C@@H]2C1 ZINC001159637558 843885618 /nfs/dbraw/zinc/88/56/18/843885618.db2.gz ZMGATUDKEIPCOZ-HPFXQQBRSA-N 2 0 352.479 -0.866 20 0 FBADRP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3CCN4)CC[C@@H]2C1 ZINC001159637559 843885846 /nfs/dbraw/zinc/88/58/46/843885846.db2.gz ZMGATUDKEIPCOZ-KONPQCLYSA-N 2 0 352.479 -0.866 20 0 FBADRP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@@]34C[NH2+]C[C@@H]3CCN4)CC[C@@H]2C1 ZINC001159637560 843885947 /nfs/dbraw/zinc/88/59/47/843885947.db2.gz ZMGATUDKEIPCOZ-KYHPRHEASA-N 2 0 352.479 -0.866 20 0 FBADRP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@@]34C[NH2+]C[C@H]3CCN4)CC[C@@H]2C1 ZINC001159637561 843885368 /nfs/dbraw/zinc/88/53/68/843885368.db2.gz ZMGATUDKEIPCOZ-YFHUEUNASA-N 2 0 352.479 -0.866 20 0 FBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCc2ncc(Cn3cccn3)n2CC1 ZINC001159641726 843886095 /nfs/dbraw/zinc/88/60/95/843886095.db2.gz BRVMTYOVTPJSBC-AWEZNQCLSA-N 2 0 363.491 -0.468 20 0 FBADRP CCN1C(C)=N[C@@]2(CC[C@@H]3CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C[C@@H]32)C1=O ZINC001159688861 843887039 /nfs/dbraw/zinc/88/70/39/843887039.db2.gz XHHPXCOUBOSEGS-XJIUQZFPSA-N 2 0 367.519 -0.107 20 0 FBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CC[C@H]2OCC[C@@]2(C(=O)NCC2CC2)C1 ZINC001159747035 843887432 /nfs/dbraw/zinc/88/74/32/843887432.db2.gz MNAAJVFCWIPCKS-HDMKZQKVSA-N 2 0 352.479 -0.024 20 0 FBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CC[C@H]2OCC[C@@]2(C(=O)NCC2CC2)C1 ZINC001159748066 843888305 /nfs/dbraw/zinc/88/83/05/843888305.db2.gz XNJMCRBUPNMFGO-JJRVBVJISA-N 2 0 370.519 -0.461 20 0 FBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1C[C@H]2OCC(=O)N(c3cccc(F)c3)[C@@H]2C1 ZINC001159749626 843888351 /nfs/dbraw/zinc/88/83/51/843888351.db2.gz FANKYUDNDFOENR-RBSFLKMASA-N 2 0 350.394 -0.166 20 0 FBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1C[C@H]2OCC(=O)N(c3cccc(F)c3)[C@@H]2C1 ZINC001159749627 843888070 /nfs/dbraw/zinc/88/80/70/843888070.db2.gz FANKYUDNDFOENR-RRFJBIMHSA-N 2 0 350.394 -0.166 20 0 FBADRP [NH3+]CCC[NH2+]CC(=O)N1C[C@H]2OCC(=O)N(c3cccc(F)c3)[C@@H]2C1 ZINC001159752129 843888142 /nfs/dbraw/zinc/88/81/42/843888142.db2.gz WGOUJGUQTUOWMQ-HUUCEWRRSA-N 2 0 350.394 -0.293 20 0 FBADRP CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(=O)C[C@@H](O)C[NH3+])C3)O2)CC1 ZINC001159756338 843888035 /nfs/dbraw/zinc/88/80/35/843888035.db2.gz ANDNJLUWEMOYRG-JFIYKMOQSA-N 2 0 354.495 -0.516 20 0 FBADRP CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(=O)C[C@H](O)C[NH3+])C3)O2)CC1 ZINC001159756339 843887965 /nfs/dbraw/zinc/88/79/65/843887965.db2.gz ANDNJLUWEMOYRG-LZLYRXPVSA-N 2 0 354.495 -0.516 20 0 FBADRP Cn1cc(N2C[C@@]3(CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C3)CC2=O)cn1 ZINC001159757886 843887579 /nfs/dbraw/zinc/88/75/79/843887579.db2.gz KYXRLAPQUICSCZ-BBRMVZONSA-N 2 0 366.491 -0.605 20 0 FBADRP Cn1cc(N2C[C@]3(CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C3)CC2=O)cn1 ZINC001159757888 843887540 /nfs/dbraw/zinc/88/75/40/843887540.db2.gz KYXRLAPQUICSCZ-XJKSGUPXSA-N 2 0 366.491 -0.605 20 0 FBADRP CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(=O)CNCC[NH3+])C3)O2)CC1 ZINC001159758339 843887677 /nfs/dbraw/zinc/88/76/77/843887677.db2.gz NMHUPUXITMLFBJ-SJLPKXTDSA-N 2 0 353.511 -0.678 20 0 FBADRP CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(=O)[C@@H](N)CC[NH3+])C3)O2)CC1 ZINC001159759096 843887448 /nfs/dbraw/zinc/88/74/48/843887448.db2.gz XGNKJLYSJRXRQG-SOLBZPMBSA-N 2 0 353.511 -0.550 20 0 FBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1C[C@@H]2COC[C@@H](CC(=O)NCC3CC3)[C@@H]2C1 ZINC001159765827 843887595 /nfs/dbraw/zinc/88/75/95/843887595.db2.gz MVHWFSJOKVPNHV-LVQVYYBASA-N 2 0 352.479 -0.310 20 0 FBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1C[C@@H]2COC[C@@H](CC(=O)NCC3CC3)[C@@H]2C1 ZINC001159765830 843888161 /nfs/dbraw/zinc/88/81/61/843888161.db2.gz MVHWFSJOKVPNHV-WCVJEAGWSA-N 2 0 352.479 -0.310 20 0 FBADRP [NH3+]CCC[NH2+]CC(=O)N1C[C@@H]2COC[C@@H](CC(=O)NCC3CC3)[C@@H]2C1 ZINC001159765974 843887462 /nfs/dbraw/zinc/88/74/62/843887462.db2.gz RCNZHOMPOBGTAW-OAGGEKHMSA-N 2 0 352.479 -0.438 20 0 FBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CC[C@H]2O[C@H](C(=O)NCC3CC3)C[C@H]21 ZINC001159768716 843887917 /nfs/dbraw/zinc/88/79/17/843887917.db2.gz ADGWNGWLHPYNMG-DGAVXFQQSA-N 2 0 356.492 -0.710 20 0 FBADRP [NH3+][C@@H](C(=O)N1CC[C@H]2O[C@H](C(=O)NCC3CC3)C[C@H]21)C1CC[NH2+]CC1 ZINC001159768840 843887895 /nfs/dbraw/zinc/88/78/95/843887895.db2.gz CRODPKBWMRSABY-LVQVYYBASA-N 2 0 350.463 -0.402 20 0 FBADRP [NH3+][C@H](C(=O)N1CC[C@H]2O[C@H](C(=O)NCC3CC3)C[C@H]21)C1CC[NH2+]CC1 ZINC001159768842 843889203 /nfs/dbraw/zinc/88/92/03/843889203.db2.gz CRODPKBWMRSABY-WCVJEAGWSA-N 2 0 350.463 -0.402 20 0 FBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC[C@H]2O[C@H](C(=O)NCC3CC3)C[C@H]21 ZINC001159769852 843889103 /nfs/dbraw/zinc/88/91/03/843889103.db2.gz PMQSQEGJOPOJGC-JJXSEGSLSA-N 2 0 352.479 -0.012 20 0 FBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1Cc2nccn2C[C@H](Cn2cccn2)C1 ZINC001159810639 843889231 /nfs/dbraw/zinc/88/92/31/843889231.db2.gz ISSDAKVMJZQQRR-KBPBESRZSA-N 2 0 363.491 -0.243 20 0 FBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1Cc2nccn2C[C@@H](Cn2cccn2)C1 ZINC001159810640 843889270 /nfs/dbraw/zinc/88/92/70/843889270.db2.gz ISSDAKVMJZQQRR-KGLIPLIRSA-N 2 0 363.491 -0.243 20 0 FBADRP [NH3+]CCC[NH2+]CC(=O)N1CCC2(C[C@H](C(=O)NC3CCC3)CO2)CC1 ZINC001159819016 843889794 /nfs/dbraw/zinc/88/97/94/843889794.db2.gz RITRYJPMDMKSIH-AWEZNQCLSA-N 2 0 352.479 -0.009 20 0 FBADRP [NH3+]CCC[NH2+]CC(=O)N1CCC2(C[C@@H](C(=O)NC3CCC3)CO2)CC1 ZINC001159819017 843889929 /nfs/dbraw/zinc/88/99/29/843889929.db2.gz RITRYJPMDMKSIH-CQSZACIVSA-N 2 0 352.479 -0.009 20 0 FBADRP CN(C)C(=O)[C@H]1CC12CCN(C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)CC2 ZINC001159862707 843891007 /nfs/dbraw/zinc/89/10/07/843891007.db2.gz ABTJBWLOLFIFEC-CABCVRRESA-N 2 0 351.495 -0.546 20 0 FBADRP CN(C)C(=O)[C@@H]1CC12CCN(C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)CC2 ZINC001159862708 843890531 /nfs/dbraw/zinc/89/05/31/843890531.db2.gz ABTJBWLOLFIFEC-GJZGRUSLSA-N 2 0 351.495 -0.546 20 0 FBADRP CN(C)C(=O)[C@H]1CC12CCN(C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)CC2 ZINC001159862709 843890680 /nfs/dbraw/zinc/89/06/80/843890680.db2.gz ABTJBWLOLFIFEC-HUUCEWRRSA-N 2 0 351.495 -0.546 20 0 FBADRP CN(C)C(=O)[C@@H]1CC12CCN(C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)CC2 ZINC001159862710 843890501 /nfs/dbraw/zinc/89/05/01/843890501.db2.gz ABTJBWLOLFIFEC-LSDHHAIUSA-N 2 0 351.495 -0.546 20 0 FBADRP COCCN1CCO[C@H]2CN(C(=O)[C@@H]([NH3+])CCCC[NH3+])CC[C@H]2C1=O ZINC001159917933 843892026 /nfs/dbraw/zinc/89/20/26/843892026.db2.gz MWBQTWGEPOTVJE-ILXRZTDVSA-N 2 0 356.467 -0.835 20 0 FBADRP CC(=O)NCc1nnc2n1CCN(C(=O)[C@@H]([NH3+])CCCC[NH+](C)C)C2 ZINC001159929249 843891951 /nfs/dbraw/zinc/89/19/51/843891951.db2.gz HDJFKEMBEWHWPR-ZDUSSCGKSA-N 2 0 351.455 -0.684 20 0 FBADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001159929529 843891827 /nfs/dbraw/zinc/89/18/27/843891827.db2.gz GKNMSGQAQZZGKH-HRCADAONSA-N 2 0 353.511 -0.287 20 0 FBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001159929672 843891722 /nfs/dbraw/zinc/89/17/22/843891722.db2.gz IJBRFVYSAPJWRL-MPTYRVRUSA-N 2 0 353.511 -0.287 20 0 FBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001159929754 843891784 /nfs/dbraw/zinc/89/17/84/843891784.db2.gz LRTNQRDQPKIFLN-YESZJQIVSA-N 2 0 353.511 -0.143 20 0 FBADRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC001159930007 843892068 /nfs/dbraw/zinc/89/20/68/843892068.db2.gz OIUXQIRRAQJZDA-HRCADAONSA-N 2 0 351.495 -0.437 20 0 FBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@@H](CC(=O)NC3CCC3)OC[C@H]2C1 ZINC001159937589 843891748 /nfs/dbraw/zinc/89/17/48/843891748.db2.gz AFYWUNGBFYLXDY-DMRZNYOFSA-N 2 0 352.479 -0.025 20 0 FBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CC[C@H]2[C@@H](CC(=O)NC3CCC3)OC[C@H]2C1 ZINC001159937593 843891492 /nfs/dbraw/zinc/89/14/92/843891492.db2.gz AFYWUNGBFYLXDY-DTZQCDIJSA-N 2 0 352.479 -0.025 20 0 FBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CC2CC1(C(=O)NCc1ccco1)C2 ZINC001159938855 843891973 /nfs/dbraw/zinc/89/19/73/843891973.db2.gz GPUUKAFZGPVFDM-ULKWEWGCSA-N 2 0 352.460 -0.094 20 0 FBADRP [NH3+]CCC[NH2+]CC(=O)N1CC[C@H]2[C@@H](CC(=O)NC3CCC3)OC[C@H]2C1 ZINC001159939942 843891922 /nfs/dbraw/zinc/89/19/22/843891922.db2.gz ZBSYDDFEJHTNQA-FVQBIDKESA-N 2 0 352.479 -0.153 20 0 FBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCCn2cnc(Cn3cccn3)c2C1 ZINC001159981470 843892809 /nfs/dbraw/zinc/89/28/09/843892809.db2.gz ZJPJHJVKFWVRFA-ZDUSSCGKSA-N 2 0 363.491 -0.121 20 0 FBADRP Cc1noc(C)c1CN1CCO[C@H]2CN(C(=O)[C@H]([NH3+])CCC[NH3+])C[C@H]21 ZINC001159987196 843892749 /nfs/dbraw/zinc/89/27/49/843892749.db2.gz FKWSRDSFVMYHRD-OAGGEKHMSA-N 2 0 351.451 -0.231 20 0 FBADRP Cc1noc(C)c1CN1CCO[C@H]2CN(C(=O)[C@@H]([NH3+])CCC[NH3+])C[C@H]21 ZINC001159987197 843892681 /nfs/dbraw/zinc/89/26/81/843892681.db2.gz FKWSRDSFVMYHRD-XHSDSOJGSA-N 2 0 351.451 -0.231 20 0 FBADRP Cc1noc(C)c1CN1CCO[C@H]2CN(C(=O)C[NH2+]CCC[NH3+])C[C@H]21 ZINC001159988443 843892493 /nfs/dbraw/zinc/89/24/93/843892493.db2.gz UTZRUQSTPNSKMY-CVEARBPZSA-N 2 0 351.451 -0.359 20 0 FBADRP CS(=O)(=O)N1C[C@H]2CCCN(C(=O)[C@@H]3CCC4(CC[NH2+]CC4)[NH2+]3)[C@H]2C1 ZINC001159998184 843892388 /nfs/dbraw/zinc/89/23/88/843892388.db2.gz FELDAWGIWRZPBB-ILXRZTDVSA-N 2 0 370.519 -0.257 20 0 FBADRP CS(=O)(=O)N1C[C@H]2CCCN(C(=O)[C@H]3CCC4(CC[NH2+]CC4)[NH2+]3)[C@H]2C1 ZINC001159998186 843892616 /nfs/dbraw/zinc/89/26/16/843892616.db2.gz FELDAWGIWRZPBB-KFWWJZLASA-N 2 0 370.519 -0.257 20 0 FBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H]2CN(S(C)(=O)=O)C[C@@H]21 ZINC001159999349 843892331 /nfs/dbraw/zinc/89/23/31/843892331.db2.gz PRPARYNKBUQGGJ-ILXRZTDVSA-N 2 0 360.524 -0.072 20 0 FBADRP CS(=O)(=O)N1C[C@H]2CCCN(C(=O)[C@]34C[NH2+]C[C@H]3C[NH2+]CC4)[C@H]2C1 ZINC001159999999 843893419 /nfs/dbraw/zinc/89/34/19/843893419.db2.gz WOCIRXCARCLQNT-HGTKMLMNSA-N 2 0 356.492 -0.932 20 0 FBADRP CN(C)S(=O)(=O)N1CC[C@@H]2CN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C[C@H]2C1 ZINC001160007595 843893358 /nfs/dbraw/zinc/89/33/58/843893358.db2.gz MNOMUUCZYTVKRB-RDBSUJKOSA-N 2 0 361.512 -0.971 20 0 FBADRP [NH3+]CCC[NH2+]CC(=O)N1C[C@H](NC(=O)c2cscn2)[C@@H]2OCCC[C@@H]21 ZINC001160015479 843893396 /nfs/dbraw/zinc/89/33/96/843893396.db2.gz CEUZMJQAMGILEI-WHOFXGATSA-N 2 0 367.475 -0.430 20 0 FBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1C[C@H](NC(=O)c2cscn2)[C@@H]2OCCC[C@@H]21 ZINC001160017543 843893011 /nfs/dbraw/zinc/89/30/11/843893011.db2.gz VYKWDTVJDCWSOL-IMIFBBOLSA-N 2 0 367.475 -0.303 20 0 FBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1C[C@H](NC(=O)c2cscn2)[C@@H]2OCCC[C@@H]21 ZINC001160017544 843893840 /nfs/dbraw/zinc/89/38/40/843893840.db2.gz VYKWDTVJDCWSOL-XWUBHJNHSA-N 2 0 367.475 -0.303 20 0 FBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CC[C@H]2O[C@H](C(=O)N3CCCC3)CC[C@H]21 ZINC001160027072 843894217 /nfs/dbraw/zinc/89/42/17/843894217.db2.gz LOANCCZEJLTIKN-YJNKXOJESA-N 2 0 370.519 -0.224 20 0 FBADRP CN(C)C(=O)N[C@@H]1CCO[C@]2(CCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C2)C1 ZINC001160041693 843893887 /nfs/dbraw/zinc/89/38/87/843893887.db2.gz NHAQFDMNDMHWGB-JKIFEVAISA-N 2 0 355.483 -0.136 20 0 FBADRP CN(C)C(=O)N[C@@H]1CCO[C@]2(CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C2)C1 ZINC001160049179 843894200 /nfs/dbraw/zinc/89/42/00/843894200.db2.gz ABPDXZWUJZNSQV-DVOMOZLQSA-N 2 0 373.523 -0.573 20 0 FBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1C[C@@H]2CCN(C(=O)c3ccco3)[C@@H]2C1 ZINC001160119266 843895078 /nfs/dbraw/zinc/89/50/78/843895078.db2.gz DZINRQHDXVVHJL-RWMBFGLXSA-N 2 0 352.460 -0.028 20 0 FBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCc2onc(Cn3cccn3)c2C1 ZINC001160129648 843894916 /nfs/dbraw/zinc/89/49/16/843894916.db2.gz ZKFDYEMJTNWHPU-LBPRGKRZSA-N 2 0 350.448 -0.177 20 0 FBADRP [NH3+][C@H]1CCCCN(CC(=O)N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)C1=O ZINC001160155547 843896188 /nfs/dbraw/zinc/89/61/88/843896188.db2.gz IZLMJOCGZJHNON-XHSDSOJGSA-N 2 0 350.463 -0.352 20 0 FBADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001160155835 843895804 /nfs/dbraw/zinc/89/58/04/843895804.db2.gz MDPXFQVJNAOBKE-XHSDSOJGSA-N 2 0 352.479 -0.202 20 0 FBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001160155864 843896640 /nfs/dbraw/zinc/89/66/40/843896640.db2.gz MZZJNTVUMOEQIZ-FAYQHZLMSA-N 2 0 352.479 -0.202 20 0 FBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001160157465 843896057 /nfs/dbraw/zinc/89/60/57/843896057.db2.gz WKPBEFMAPQOTBM-BBWFWOEESA-N 2 0 352.479 -0.058 20 0 FBADRP CC(=O)N1CCC[C@]2(C1)CN(C(=O)[C@]13C[NH2+]C[C@H]1C[NH2+]CC3)CCO2 ZINC001160178239 843895926 /nfs/dbraw/zinc/89/59/26/843895926.db2.gz GTUDQEKQWKSEJN-BPQIPLTHSA-N 2 0 350.463 -0.575 20 0 FBADRP CC(=O)N1CCC[C@@]2(C1)CN(C(=O)[C@]13C[NH2+]C[C@H]1C[NH2+]CC3)CCO2 ZINC001160178240 843896354 /nfs/dbraw/zinc/89/63/54/843896354.db2.gz GTUDQEKQWKSEJN-KBAYOESNSA-N 2 0 350.463 -0.575 20 0 FBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCCn2c(Cn3cccn3)nnc2C1 ZINC001160192570 843896574 /nfs/dbraw/zinc/89/65/74/843896574.db2.gz CAQDGPHVKBSWBB-LBPRGKRZSA-N 2 0 364.479 -0.726 20 0 FBADRP CS(=O)(=O)N1C[C@@H]2CN(C(=O)C[NH2+]CCC[NH3+])C[C@H]2c2ccccc21 ZINC001160203177 843897301 /nfs/dbraw/zinc/89/73/01/843897301.db2.gz RPLBOMRLDAQFCH-DZGCQCFKSA-N 2 0 366.487 -0.053 20 0 FBADRP CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)[C@@H]2C1 ZINC001160295605 843898208 /nfs/dbraw/zinc/89/82/08/843898208.db2.gz OZKXXHJURGYWCI-BYNSBNAKSA-N 2 0 350.463 -0.674 20 0 FBADRP CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(C(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)[C@@H]2C1 ZINC001160295606 843898371 /nfs/dbraw/zinc/89/83/71/843898371.db2.gz OZKXXHJURGYWCI-GBJTYRQASA-N 2 0 350.463 -0.674 20 0 FBADRP CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])[C@@H]2C1 ZINC001160295795 843897690 /nfs/dbraw/zinc/89/76/90/843897690.db2.gz RELVSZSACUQYOZ-IGQOVBAYSA-N 2 0 358.508 -0.464 20 0 FBADRP CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(C(=O)[C@@H]([NH3+])C3CC[NH2+]CC3)[C@@H]2C1 ZINC001160295879 843898238 /nfs/dbraw/zinc/89/82/38/843898238.db2.gz UCEMWCIANBTXOC-JJXSEGSLSA-N 2 0 352.479 -0.156 20 0 FBADRP CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(C(=O)[C@H]([NH3+])C3CC[NH2+]CC3)[C@@H]2C1 ZINC001160295880 843899219 /nfs/dbraw/zinc/89/92/19/843899219.db2.gz UCEMWCIANBTXOC-ZJIFWQFVSA-N 2 0 352.479 -0.156 20 0 FBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCCn2cnc(CNC(C)=O)c2C1 ZINC001160323987 843899142 /nfs/dbraw/zinc/89/91/42/843899142.db2.gz PUHOZZMGMULOJK-AWEZNQCLSA-N 2 0 350.467 -0.032 20 0 FBADRP CC(=O)NCc1ncn2c1CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CCC2 ZINC001160324830 843898629 /nfs/dbraw/zinc/89/86/29/843898629.db2.gz ZCIREWBYUAQTND-LBPRGKRZSA-N 2 0 354.480 -0.729 20 0 FBADRP COCCO[C@H]1CCN(C(=O)C[NH2+]CCC[NH3+])[C@H]1Cc1cnn(C)c1 ZINC001160325553 843899379 /nfs/dbraw/zinc/89/93/79/843899379.db2.gz LYELFRXZGHMASU-HOTGVXAUSA-N 2 0 353.467 -0.467 20 0 FBADRP COCCO[C@H]1CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])[C@H]1Cc1cnn(C)c1 ZINC001160326198 843898798 /nfs/dbraw/zinc/89/87/98/843898798.db2.gz PFRKHXFOVANHGF-JYJNAYRXSA-N 2 0 353.467 -0.339 20 0 FBADRP COCCO[C@H]1CCN(C(=O)[C@H]([NH3+])CCC[NH3+])[C@H]1Cc1cnn(C)c1 ZINC001160326205 843898673 /nfs/dbraw/zinc/89/86/73/843898673.db2.gz PFRKHXFOVANHGF-PMPSAXMXSA-N 2 0 353.467 -0.339 20 0 FBADRP C[NH+](C)CCOCc1ncn2c1CN(C(=O)[C@@H]([NH3+])CCC[NH3+])CCC2 ZINC001160358335 843899654 /nfs/dbraw/zinc/89/96/54/843899654.db2.gz PCGVXYAYBDNNAW-AWEZNQCLSA-N 3 0 352.483 -0.240 20 0 FBADRP C[NH+](C)CCOCc1ncn2c1CN(C(=O)[C@H]([NH3+])CCC[NH3+])CCC2 ZINC001160358336 843900205 /nfs/dbraw/zinc/90/02/05/843900205.db2.gz PCGVXYAYBDNNAW-CQSZACIVSA-N 3 0 352.483 -0.240 20 0 FBADRP C[NH+](C)CCOCc1ncn2c1CN(C(=O)[C@@H]1C[C@H]([NH3+])CN1)CCC2 ZINC001160370667 843900168 /nfs/dbraw/zinc/90/01/68/843900168.db2.gz AAYVTSORPQGCGB-KBPBESRZSA-N 2 0 350.467 -0.617 20 0 FBADRP C[NH+](C)CCOCc1ncn2c1CN(C(=O)[C@@H]1C[C@@H]([NH3+])CN1)CCC2 ZINC001160370670 843899494 /nfs/dbraw/zinc/89/94/94/843899494.db2.gz AAYVTSORPQGCGB-KGLIPLIRSA-N 2 0 350.467 -0.617 20 0 FBADRP C[NH+](C)CCOCc1ncn2c1CN(C(=O)[C@H]1C[C@@H](O)C[NH2+]1)CCC2 ZINC001160370966 843899555 /nfs/dbraw/zinc/89/95/55/843899555.db2.gz DXLMBYODZKVKIW-ZIAGYGMSSA-N 2 0 351.451 -0.584 20 0 FBADRP C[NH+](C)CCOCc1ncn2c1CN(C(=O)[C@H]1[NH2+]CC[C@H]1O)CCC2 ZINC001160371148 843900183 /nfs/dbraw/zinc/90/01/83/843900183.db2.gz GJPBMLQOMILACB-CVEARBPZSA-N 2 0 351.451 -0.584 20 0 FBADRP C[NH+](C)CCOCc1ncn2c1CN(C(=O)[C@H]1[NH2+]CC[C@@H]1O)CCC2 ZINC001160371149 843900295 /nfs/dbraw/zinc/90/02/95/843900295.db2.gz GJPBMLQOMILACB-HOTGVXAUSA-N 2 0 351.451 -0.584 20 0 FBADRP C[NH+](C)CCOCc1ncn2c1CN(C(=O)[C@H]1C[NH2+]C[C@@H]1O)CCC2 ZINC001160371840 843899625 /nfs/dbraw/zinc/89/96/25/843899625.db2.gz MULQFKXSMUBMNY-BBRMVZONSA-N 2 0 351.451 -0.726 20 0 FBADRP C[NH+](C)CCOCc1ncn2c1CN(C(=O)[C@@H]1C[NH2+]C[C@@H]1O)CCC2 ZINC001160371843 843899569 /nfs/dbraw/zinc/89/95/69/843899569.db2.gz MULQFKXSMUBMNY-CJNGLKHVSA-N 2 0 351.451 -0.726 20 0 FBADRP C[NH+](C)CCOCc1ncn2c1CN(C(=O)[C@@H]1C[NH2+]C[C@H]1O)CCC2 ZINC001160371845 843899582 /nfs/dbraw/zinc/89/95/82/843899582.db2.gz MULQFKXSMUBMNY-CZUORRHYSA-N 2 0 351.451 -0.726 20 0 FBADRP C[NH+](C)CCOCc1ncn2c1CN(C(=O)[C@H]1C[NH2+]C[C@H]1O)CCC2 ZINC001160371847 843900257 /nfs/dbraw/zinc/90/02/57/843900257.db2.gz MULQFKXSMUBMNY-XJKSGUPXSA-N 2 0 351.451 -0.726 20 0 FBADRP C[NH+](C)CCOCc1ncn2c1CN(C(=O)C[NH2+]CCC[NH3+])CCC2 ZINC001160372121 843900281 /nfs/dbraw/zinc/90/02/81/843900281.db2.gz NWFCFJSDIOUZOY-UHFFFAOYSA-N 3 0 352.483 -0.368 20 0 FBADRP C[NH+](C)CCOCc1ncn2c1CN(C(=O)[C@]1(N)CC[NH2+]C1)CCC2 ZINC001160373186 843900025 /nfs/dbraw/zinc/90/00/25/843900025.db2.gz WYRLNDBNTISFCN-KRWDZBQOSA-N 2 0 350.467 -0.616 20 0 FBADRP C[NH+](C)CCOCc1ncn2c1CN(C(=O)[C@@]1(N)CC[NH2+]C1)CCC2 ZINC001160373187 843900299 /nfs/dbraw/zinc/90/02/99/843900299.db2.gz WYRLNDBNTISFCN-QGZVFWFLSA-N 2 0 350.467 -0.616 20 0 FBADRP C[NH+](C)CCOCc1ncn2c1CN(C(=O)[C@@H]1C[NH2+]CCN1)CCC2 ZINC001160373385 843900266 /nfs/dbraw/zinc/90/02/66/843900266.db2.gz ZMRNTFZUPZZKKN-AWEZNQCLSA-N 2 0 350.467 -0.745 20 0 FBADRP C[NH+](C)CCOCc1ncn2c1CN(C(=O)[C@H]1C[NH2+]CCN1)CCC2 ZINC001160373386 843899837 /nfs/dbraw/zinc/89/98/37/843899837.db2.gz ZMRNTFZUPZZKKN-CQSZACIVSA-N 2 0 350.467 -0.745 20 0 FBADRP CC(C)N(C)Cc1nnc2n1CCCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C2 ZINC001160381415 843900129 /nfs/dbraw/zinc/90/01/29/843900129.db2.gz UIUAOXLPPFHIOC-ZDUSSCGKSA-N 2 0 369.539 -0.130 20 0 FBADRP CN(C)C(=O)C[NH+]1CCC2(CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])CC1 ZINC001160388161 843899982 /nfs/dbraw/zinc/89/99/82/843899982.db2.gz IEAYFVSZCVOLAP-HNNXBMFYSA-N 3 0 353.511 -0.012 20 0 FBADRP CC(=O)OC[C@H]([NH3+])C(=O)N1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001160388333 843900236 /nfs/dbraw/zinc/90/02/36/843900236.db2.gz JVYYCNYUAHKZRR-AWEZNQCLSA-N 2 0 354.451 -0.578 20 0 FBADRP CN(C)C(=O)C[NH+]1CCC2(CCCN2C(=O)CN2CC[NH2+]CC2)CC1 ZINC001160389002 843900152 /nfs/dbraw/zinc/90/01/52/843900152.db2.gz UMBORVFOCNBTNP-UHFFFAOYSA-N 2 0 351.495 -0.563 20 0 FBADRP CN(C)C(=O)C[NH+]1CCC2(CCCN2C(=O)C2(N)CC[NH2+]CC2)CC1 ZINC001160389062 843900036 /nfs/dbraw/zinc/90/00/36/843900036.db2.gz VHIIWFQKUAQLBL-UHFFFAOYSA-N 2 0 351.495 -0.388 20 0 FBADRP CN(C)C(=O)C[NH+]1CCC2(CCCN2C(=O)[C@@]2(N)CCC[NH2+]C2)CC1 ZINC001160391779 843900987 /nfs/dbraw/zinc/90/09/87/843900987.db2.gz PMVYJXMRTPYUGI-GOSISDBHSA-N 2 0 351.495 -0.388 20 0 FBADRP CN(C)C(=O)C[NH+]1CCC2(CCCN2C(=O)[C@]2(N)CCC[NH2+]C2)CC1 ZINC001160391780 843901027 /nfs/dbraw/zinc/90/10/27/843901027.db2.gz PMVYJXMRTPYUGI-SFHVURJKSA-N 2 0 351.495 -0.388 20 0 FBADRP CN(C)C(=O)C[NH+]1CCC2(CCCN2C(=O)[C@@H]([NH3+])CSCC[NH3+])CC1 ZINC001160392263 843900822 /nfs/dbraw/zinc/90/08/22/843900822.db2.gz VXIWLDHXMQSCHY-AWEZNQCLSA-N 3 0 371.551 -0.449 20 0 FBADRP CN(C)C(=O)C[NH+]1CCC2(CCCN2C(=O)C[C@H]2COCC[NH2+]2)CC1 ZINC001160392440 843900920 /nfs/dbraw/zinc/90/09/20/843900920.db2.gz YURFLHREGPVULD-HNNXBMFYSA-N 2 0 352.479 -0.090 20 0 FBADRP CN(C)C(=O)C[NH+]1CCC2(CCCN2C(=O)C[C@@H]2COCC[NH2+]2)CC1 ZINC001160392441 843900894 /nfs/dbraw/zinc/90/08/94/843900894.db2.gz YURFLHREGPVULD-OAHLLOKOSA-N 2 0 352.479 -0.090 20 0 FBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@@H](OCC2CC2)[C@H]2COC[C@H]21 ZINC001160404193 843900816 /nfs/dbraw/zinc/90/08/16/843900816.db2.gz JYZBOERWVDYQPC-MWDXBVQZSA-N 2 0 352.479 -0.611 20 0 FBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@@H](OCC2CC2)[C@H]2COC[C@H]21 ZINC001160404194 843900746 /nfs/dbraw/zinc/90/07/46/843900746.db2.gz JYZBOERWVDYQPC-YLFCFFPRSA-N 2 0 352.479 -0.611 20 0 FBADRP CC(C)C(=O)N1CCO[C@]2(C1)COCCN(C(=O)[C@H]([NH3+])CCC[NH3+])C2 ZINC001160417547 843900811 /nfs/dbraw/zinc/90/08/11/843900811.db2.gz FCNCLDHGYHTULH-PBHICJAKSA-N 2 0 356.467 -0.835 20 0 FBADRP CC(C)C(=O)N1CCO[C@@]2(C1)COCCN(C(=O)[C@H]([NH3+])CCC[NH3+])C2 ZINC001160417555 843900644 /nfs/dbraw/zinc/90/06/44/843900644.db2.gz FCNCLDHGYHTULH-RHSMWYFYSA-N 2 0 356.467 -0.835 20 0 FBADRP CC(C)C(=O)N1CCO[C@@]2(C1)COCCN(C(=O)[C@@H]([NH3+])CCC[NH3+])C2 ZINC001160417556 843900532 /nfs/dbraw/zinc/90/05/32/843900532.db2.gz FCNCLDHGYHTULH-WMLDXEAASA-N 2 0 356.467 -0.835 20 0 FBADRP CC(C)C(=O)N1CCO[C@]2(C1)COCCN(C(=O)[C@@H]([NH3+])CCC[NH3+])C2 ZINC001160417557 843900568 /nfs/dbraw/zinc/90/05/68/843900568.db2.gz FCNCLDHGYHTULH-YOEHRIQHSA-N 2 0 356.467 -0.835 20 0 FBADRP CC(C)C(=O)N1CCO[C@@]2(C1)COCCN(C(=O)C[NH2+]CCC[NH3+])C2 ZINC001160417703 843900805 /nfs/dbraw/zinc/90/08/05/843900805.db2.gz FLMIPRLVVKJSBA-KRWDZBQOSA-N 2 0 356.467 -0.963 20 0 FBADRP CC(C)C(=O)N1CCO[C@]2(C1)COCCN(C(=O)C[NH2+]CCC[NH3+])C2 ZINC001160417706 843900852 /nfs/dbraw/zinc/90/08/52/843900852.db2.gz FLMIPRLVVKJSBA-QGZVFWFLSA-N 2 0 356.467 -0.963 20 0 FBADRP CCOC(=O)[C@H]1CCN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)CCC1=O ZINC001160427255 843900940 /nfs/dbraw/zinc/90/09/40/843900940.db2.gz LKIWEQDJXWJYHG-KBPBESRZSA-N 2 0 354.451 -0.892 20 0 FBADRP CCOC(=O)[C@@H]1CCN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)CCC1=O ZINC001160427256 843900494 /nfs/dbraw/zinc/90/04/94/843900494.db2.gz LKIWEQDJXWJYHG-KGLIPLIRSA-N 2 0 354.451 -0.892 20 0 FBADRP CCOC(=O)[C@H]1CCN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CCC1=O ZINC001160427257 843900860 /nfs/dbraw/zinc/90/08/60/843900860.db2.gz LKIWEQDJXWJYHG-UONOGXRCSA-N 2 0 354.451 -0.892 20 0 FBADRP CCOC(=O)[C@@H]1CCN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CCC1=O ZINC001160427258 843900704 /nfs/dbraw/zinc/90/07/04/843900704.db2.gz LKIWEQDJXWJYHG-ZIAGYGMSSA-N 2 0 354.451 -0.892 20 0 FBADRP COc1cc(OC)nc(CN2CCN(C(=O)[C@H]([NH3+])CCC[NH3+])CC2)n1 ZINC001160427605 843900739 /nfs/dbraw/zinc/90/07/39/843900739.db2.gz BHEAFKTUBAMIKB-GFCCVEGCSA-N 2 0 352.439 -0.796 20 0 FBADRP COc1cc(OC)nc(CN2CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])CC2)n1 ZINC001160427606 843900844 /nfs/dbraw/zinc/90/08/44/843900844.db2.gz BHEAFKTUBAMIKB-LBPRGKRZSA-N 2 0 352.439 -0.796 20 0 FBADRP COc1cc(OC)nc(CN2CCN(C(=O)C[NH2+]CCC[NH3+])CC2)n1 ZINC001160432227 843901632 /nfs/dbraw/zinc/90/16/32/843901632.db2.gz PWAOOHLZNSSXDS-UHFFFAOYSA-N 2 0 352.439 -0.924 20 0 FBADRP Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])CC2)cc1 ZINC001160436108 843901405 /nfs/dbraw/zinc/90/14/05/843901405.db2.gz HFZYVZUJGSMEFG-HNNXBMFYSA-N 2 0 354.476 -0.106 20 0 FBADRP Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]([NH3+])CCC[NH3+])CC2)cc1 ZINC001160436120 843901675 /nfs/dbraw/zinc/90/16/75/843901675.db2.gz HFZYVZUJGSMEFG-OAHLLOKOSA-N 2 0 354.476 -0.106 20 0 FBADRP Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[NH2+]CCC[NH3+])CC2)cc1 ZINC001160437477 843901643 /nfs/dbraw/zinc/90/16/43/843901643.db2.gz XJQKJQDXBPYWJF-UHFFFAOYSA-N 2 0 354.476 -0.234 20 0 FBADRP CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C ZINC001160439338 843901794 /nfs/dbraw/zinc/90/17/94/843901794.db2.gz KHEZVTIDNCIRAV-KBPBESRZSA-N 2 0 356.467 -0.238 20 0 FBADRP CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C ZINC001160439464 843901759 /nfs/dbraw/zinc/90/17/59/843901759.db2.gz KHEZVTIDNCIRAV-UONOGXRCSA-N 2 0 356.467 -0.238 20 0 FBADRP CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001160439815 843901705 /nfs/dbraw/zinc/90/17/05/843901705.db2.gz NOFBWYGWGSWIDM-CHWSQXEVSA-N 2 0 352.435 -0.859 20 0 FBADRP CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001160439816 843901592 /nfs/dbraw/zinc/90/15/92/843901592.db2.gz NOFBWYGWGSWIDM-OLZOCXBDSA-N 2 0 352.435 -0.859 20 0 FBADRP CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001160439817 843901682 /nfs/dbraw/zinc/90/16/82/843901682.db2.gz NOFBWYGWGSWIDM-QWHCGFSZSA-N 2 0 352.435 -0.859 20 0 FBADRP CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001160439818 843901475 /nfs/dbraw/zinc/90/14/75/843901475.db2.gz NOFBWYGWGSWIDM-STQMWFEESA-N 2 0 352.435 -0.859 20 0 FBADRP C[NH2+]CC1CCN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])CC1 ZINC001160459466 843902667 /nfs/dbraw/zinc/90/26/67/843902667.db2.gz LVWDTMWRXMIBBW-HOTGVXAUSA-N 3 0 353.511 -0.108 20 0 FBADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCCC[C@H]1C[NH+]1CCCC1 ZINC001160463213 843902842 /nfs/dbraw/zinc/90/28/42/843902842.db2.gz HKEMGVIWJYVIAY-IHRRRGAJSA-N 2 0 353.467 -0.829 20 0 FBADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCCC[C@@H]1C[NH+]1CCCC1 ZINC001160463214 843902315 /nfs/dbraw/zinc/90/23/15/843902315.db2.gz HKEMGVIWJYVIAY-MJBXVCDLSA-N 2 0 353.467 -0.829 20 0 FBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCC2(C1)OCCO2 ZINC001160470853 843902196 /nfs/dbraw/zinc/90/21/96/843902196.db2.gz JAOWANHWHNQHTD-KBPBESRZSA-N 2 0 354.451 -0.591 20 0 FBADRP COC(=O)CCN(Cc1ccco1)C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001160471177 843902724 /nfs/dbraw/zinc/90/27/24/843902724.db2.gz RGVPVQSCMUYUJD-HNNXBMFYSA-N 2 0 352.435 -0.078 20 0 FBADRP COC(=O)CCN(Cc1ccco1)C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001160471178 843902732 /nfs/dbraw/zinc/90/27/32/843902732.db2.gz RGVPVQSCMUYUJD-OAHLLOKOSA-N 2 0 352.435 -0.078 20 0 FBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC001160483610 843902831 /nfs/dbraw/zinc/90/28/31/843902831.db2.gz KYHZAGSNPPBHPN-INIZCTEOSA-N 2 0 353.511 -0.188 20 0 FBADRP CC(C)NC(=O)CN1CCN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC1 ZINC001160484913 843902501 /nfs/dbraw/zinc/90/25/01/843902501.db2.gz JOZYSRNSICHUQC-HNNXBMFYSA-N 2 0 351.495 -0.471 20 0 FBADRP CC(C)NC(=O)CN1CCN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC1 ZINC001160484914 843902601 /nfs/dbraw/zinc/90/26/01/843902601.db2.gz JOZYSRNSICHUQC-OAHLLOKOSA-N 2 0 351.495 -0.471 20 0 FBADRP COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001160491761 843903761 /nfs/dbraw/zinc/90/37/61/843903761.db2.gz BUBVVVYWIDEKEB-GMXVVIOVSA-N 2 0 371.459 -0.523 20 0 FBADRP COC(=O)[C@@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001160491762 843903627 /nfs/dbraw/zinc/90/36/27/843903627.db2.gz BUBVVVYWIDEKEB-GVXVVHGQSA-N 2 0 371.459 -0.523 20 0 FBADRP COC(=O)[C@@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001160491763 843903777 /nfs/dbraw/zinc/90/37/77/843903777.db2.gz BUBVVVYWIDEKEB-MDZLAQPJSA-N 2 0 371.459 -0.523 20 0 FBADRP COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001160491764 843903342 /nfs/dbraw/zinc/90/33/42/843903342.db2.gz BUBVVVYWIDEKEB-NTZNESFSSA-N 2 0 371.459 -0.523 20 0 FBADRP COC(=O)[C@H]1SC[C@H](C(=O)OC)N1C(=O)[C@@H]([NH3+])CCCC[NH+](C)C ZINC001160492975 843903507 /nfs/dbraw/zinc/90/35/07/843903507.db2.gz KTTBRWKHPUDNHF-DMDPSCGWSA-N 2 0 361.464 -0.338 20 0 FBADRP COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)[C@@H]([NH3+])CCCC[NH+](C)C ZINC001160492976 843903589 /nfs/dbraw/zinc/90/35/89/843903589.db2.gz KTTBRWKHPUDNHF-GMXVVIOVSA-N 2 0 361.464 -0.338 20 0 FBADRP COC(=O)[C@@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@@H]([NH3+])CCCC[NH+](C)C ZINC001160492977 843903621 /nfs/dbraw/zinc/90/36/21/843903621.db2.gz KTTBRWKHPUDNHF-GVXVVHGQSA-N 2 0 361.464 -0.338 20 0 FBADRP COC(=O)[C@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@@H]([NH3+])CCCC[NH+](C)C ZINC001160492978 843903576 /nfs/dbraw/zinc/90/35/76/843903576.db2.gz KTTBRWKHPUDNHF-LOWVWBTDSA-N 2 0 361.464 -0.338 20 0 FBADRP CC(C)CC(=O)NC1CCN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)CC1 ZINC001160498424 843903725 /nfs/dbraw/zinc/90/37/25/843903725.db2.gz KLDZOLXMVOGOTM-INIZCTEOSA-N 2 0 353.511 -0.110 20 0 FBADRP CC(C)CC(=O)NC1CCN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CC1 ZINC001160498427 843903737 /nfs/dbraw/zinc/90/37/37/843903737.db2.gz KLDZOLXMVOGOTM-MRXNPFEDSA-N 2 0 353.511 -0.110 20 0 FBADRP O=C([C@H]1CCCCN1C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2)N1CCOCC1 ZINC001160506892 843903546 /nfs/dbraw/zinc/90/35/46/843903546.db2.gz QPCMROIFIYGJOD-IIDMSEBBSA-N 2 0 350.463 -0.575 20 0 FBADRP O=C([C@@H]1CCCCN1C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2)N1CCOCC1 ZINC001160506893 843903687 /nfs/dbraw/zinc/90/36/87/843903687.db2.gz QPCMROIFIYGJOD-RVKKMQEKSA-N 2 0 350.463 -0.575 20 0 FBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCn2c(Br)cnc2C1 ZINC001160546226 843904489 /nfs/dbraw/zinc/90/44/89/843904489.db2.gz WOEVVQBGPWPEDA-LLVKDONJSA-N 2 0 371.283 -0.262 20 0 FBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCn2c(Br)cnc2C1 ZINC001160546231 843904100 /nfs/dbraw/zinc/90/41/00/843904100.db2.gz WOEVVQBGPWPEDA-NSHDSACASA-N 2 0 371.283 -0.262 20 0 FBADRP CS(=O)(=O)CCCN1CCN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC1 ZINC001160585636 843904003 /nfs/dbraw/zinc/90/40/03/843904003.db2.gz MOZKYQXGDAJDRC-HNNXBMFYSA-N 2 0 372.535 -0.561 20 0 FBADRP CS(=O)(=O)CCCN1CCN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC1 ZINC001160585637 843904193 /nfs/dbraw/zinc/90/41/93/843904193.db2.gz MOZKYQXGDAJDRC-OAHLLOKOSA-N 2 0 372.535 -0.561 20 0 FBADRP C[S@](=O)CC[C@H]([NH3+])C(=O)N1c2ccccc2C(=O)NC12CC[NH2+]CC2 ZINC001160588688 843904043 /nfs/dbraw/zinc/90/40/43/843904043.db2.gz DYKZSIIXDLXGGR-CANCMXDXSA-N 2 0 364.471 -0.061 20 0 FBADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)N1c2ccccc2C(=O)NC12CC[NH2+]CC2 ZINC001160588689 843904505 /nfs/dbraw/zinc/90/45/05/843904505.db2.gz DYKZSIIXDLXGGR-ZJWNCGCPSA-N 2 0 364.471 -0.061 20 0 FBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1c2ccccc2C(=O)NC12CC[NH2+]CC2 ZINC001160589393 843904549 /nfs/dbraw/zinc/90/45/49/843904549.db2.gz QZHJIBXDNSGNFU-ZDUSSCGKSA-N 3 0 363.487 -0.138 20 0 FBADRP COCC[N@H+](C)CCN1C[C@@H](NC(=O)CC[NH+]2CC[C@@H](F)C2)CC1=O ZINC001160604180 843905263 /nfs/dbraw/zinc/90/52/63/843905263.db2.gz DPLUDPZTEFBECY-CABCVRRESA-N 2 0 358.458 -0.284 20 0 FBADRP COCC[N@H+](C)CCN1C[C@@H](NC(=O)CC[NH+]2CC[C@H](F)C2)CC1=O ZINC001160604181 843905068 /nfs/dbraw/zinc/90/50/68/843905068.db2.gz DPLUDPZTEFBECY-GJZGRUSLSA-N 2 0 358.458 -0.284 20 0 FBADRP COCC[N@H+](C)CCN1C[C@H](NC(=O)CC[NH+]2CC[C@@H](F)C2)CC1=O ZINC001160604182 843905169 /nfs/dbraw/zinc/90/51/69/843905169.db2.gz DPLUDPZTEFBECY-HUUCEWRRSA-N 2 0 358.458 -0.284 20 0 FBADRP COCC[N@H+](C)CCN1C[C@H](NC(=O)CC[NH+]2CC[C@H](F)C2)CC1=O ZINC001160604183 843905341 /nfs/dbraw/zinc/90/53/41/843905341.db2.gz DPLUDPZTEFBECY-LSDHHAIUSA-N 2 0 358.458 -0.284 20 0 FBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001160627562 843904910 /nfs/dbraw/zinc/90/49/10/843904910.db2.gz DXXJZWYDVZWJEC-KRWDZBQOSA-N 4 0 356.559 -0.531 20 0 FBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001160627572 843905223 /nfs/dbraw/zinc/90/52/23/843905223.db2.gz DXXJZWYDVZWJEC-QGZVFWFLSA-N 4 0 356.559 -0.531 20 0 FBADRP C[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@@H](C)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC001160629021 843905155 /nfs/dbraw/zinc/90/51/55/843905155.db2.gz OHLSLMXDTQVXFX-KLHDSHLOSA-N 2 0 356.511 -0.150 20 0 FBADRP C[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@H](C)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC001160629023 843905114 /nfs/dbraw/zinc/90/51/14/843905114.db2.gz OHLSLMXDTQVXFX-ZJIFWQFVSA-N 2 0 356.511 -0.150 20 0 FBADRP O=C([C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CCN(C2CCOCC2)C(=O)C1 ZINC001160634813 843905094 /nfs/dbraw/zinc/90/50/94/843905094.db2.gz FMUPRLUZSSSICB-HNNXBMFYSA-N 2 0 350.463 -0.290 20 0 FBADRP O=C([C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CCN(C2CCOCC2)C(=O)C1 ZINC001160634814 843905441 /nfs/dbraw/zinc/90/54/41/843905441.db2.gz FMUPRLUZSSSICB-OAHLLOKOSA-N 2 0 350.463 -0.290 20 0 FBADRP [NH3+]C[C@H]1CN(C(=O)[C@H]([NH3+])CSCNC(=O)Cc2ccccc2)CCO1 ZINC001160643890 843905943 /nfs/dbraw/zinc/90/59/43/843905943.db2.gz PFMVPEGATYLLMK-LSDHHAIUSA-N 2 0 366.487 -0.451 20 0 FBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC001160645233 843906060 /nfs/dbraw/zinc/90/60/60/843906060.db2.gz PTLAMLXFFIVTEZ-IHRRRGAJSA-N 2 0 356.467 -0.694 20 0 FBADRP [NH3+][C@H](CSCNC(=O)Cc1ccccc1)C(=O)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001160653129 843906447 /nfs/dbraw/zinc/90/64/47/843906447.db2.gz VTKHTMPMFWFLHF-RBSFLKMASA-N 2 0 366.487 -0.716 20 0 FBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001160656390 843907020 /nfs/dbraw/zinc/90/70/20/843907020.db2.gz XIQBTCGFUJLVIQ-ZOBORPQBSA-N 2 0 356.467 -0.960 20 0 FBADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001160656554 843906957 /nfs/dbraw/zinc/90/69/57/843906957.db2.gz YQZUFZDXIQANJA-VJTDZRGJSA-N 2 0 360.524 -0.482 20 0 FBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCC(=O)C(F)(F)C1 ZINC001160662665 843906686 /nfs/dbraw/zinc/90/66/86/843906686.db2.gz BCWLULVOIKBCLR-RYUDHWBXSA-N 2 0 360.405 -0.130 20 0 FBADRP CC1([NH+]2CCOCC2)CCN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)CC1 ZINC001160673414 843906864 /nfs/dbraw/zinc/90/68/64/843906864.db2.gz NZOODRYBWODRQH-INIZCTEOSA-N 3 0 353.511 -0.550 20 0 FBADRP CC1([NH+]2CCOCC2)CCN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CC1 ZINC001160673416 843906943 /nfs/dbraw/zinc/90/69/43/843906943.db2.gz NZOODRYBWODRQH-MRXNPFEDSA-N 3 0 353.511 -0.550 20 0 FBADRP CN(CCC1OCCO1)C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001160684679 843906618 /nfs/dbraw/zinc/90/66/18/843906618.db2.gz YPUNBEMMMXPSCM-KBPBESRZSA-N 2 0 356.467 -0.345 20 0 FBADRP CN(C[C@H]1CCC[NH2+]C1)C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001160696019 843907645 /nfs/dbraw/zinc/90/76/45/843907645.db2.gz SJRWUAPHXOOMIL-JYJNAYRXSA-N 3 0 353.511 -0.108 20 0 FBADRP CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001160696020 843907534 /nfs/dbraw/zinc/90/75/34/843907534.db2.gz SJRWUAPHXOOMIL-PMPSAXMXSA-N 3 0 353.511 -0.108 20 0 FBADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N1CC2(CC[NH2+]CC2)c2ccccc21 ZINC001160699088 843907333 /nfs/dbraw/zinc/90/73/33/843907333.db2.gz ZJBZKAJOSGFIFY-UHFFFAOYSA-N 2 0 366.487 -0.125 20 0 FBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC[NH+]2CCC1CC2 ZINC001160725909 843907220 /nfs/dbraw/zinc/90/72/20/843907220.db2.gz HSMKYXWQYYAHGP-HOTGVXAUSA-N 3 0 351.495 -0.260 20 0 FBADRP O=C(COC1CCN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CC1)NC1CC1 ZINC001160743684 843907268 /nfs/dbraw/zinc/90/72/68/843907268.db2.gz YOQDTYSDJCQXHO-FZKQIMNGSA-N 2 0 350.463 -0.528 20 0 FBADRP C[C@@H]1CO[C@@H]2CN(C(=O)[C@@H]3CCCN3C(=O)[C@@H]([NH3+])CCCC[NH3+])C[C@H]12 ZINC001160757133 843908549 /nfs/dbraw/zinc/90/85/49/843908549.db2.gz ZGDJEUVSQSGAFZ-RBGFHDKUSA-N 2 0 352.479 -0.073 20 0 FBADRP COC(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])C2 ZINC001160773716 843908482 /nfs/dbraw/zinc/90/84/82/843908482.db2.gz JUJZDNDJMRJAOR-NWDGAFQWSA-N 2 0 361.464 -0.979 20 0 FBADRP COC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])C2 ZINC001160773717 843908365 /nfs/dbraw/zinc/90/83/65/843908365.db2.gz JUJZDNDJMRJAOR-RYUDHWBXSA-N 2 0 361.464 -0.979 20 0 FBADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001160780881 843909290 /nfs/dbraw/zinc/90/92/90/843909290.db2.gz YWFPRPOFCOMMLY-WBVHZDCISA-N 2 0 366.487 -0.794 20 0 FBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H]([NH3+])Cc3cscn3)C[C@H]1C2 ZINC001160790047 843908834 /nfs/dbraw/zinc/90/88/34/843908834.db2.gz JDSQLSREYFUHQV-FWGRZNJNSA-N 2 0 364.471 -0.130 20 0 FBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1C[C@H]2C[C@]3(C(=O)OC)C[NH2+]C[C@@H]3[C@H]2C1 ZINC001160791810 843909199 /nfs/dbraw/zinc/90/91/99/843909199.db2.gz DDRVAKXWYKRZCF-CTPFVTRSSA-N 2 0 353.419 -0.876 20 0 FBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1C[C@H]2C[C@]3(C(=O)OC)C[NH2+]C[C@@H]3[C@H]2C1 ZINC001160791811 843909167 /nfs/dbraw/zinc/90/91/67/843909167.db2.gz DDRVAKXWYKRZCF-UOSRWGBYSA-N 2 0 353.419 -0.876 20 0 FBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@]3(C)CC[NH2+]C[C@@H]3O)C[C@H]1C2 ZINC001160792034 843908996 /nfs/dbraw/zinc/90/89/96/843908996.db2.gz MBSNCSJIXPQAGK-CDIPIGRXSA-N 2 0 351.447 -0.796 20 0 FBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@]3(C)CC[NH2+]C[C@H]3O)C[C@H]1C2 ZINC001160792035 843909304 /nfs/dbraw/zinc/90/93/04/843909304.db2.gz MBSNCSJIXPQAGK-DNDIHPSWSA-N 2 0 351.447 -0.796 20 0 FBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@]3(C)CC[NH2+]C[C@H]3O)C[C@H]1C2 ZINC001160792036 843908873 /nfs/dbraw/zinc/90/88/73/843908873.db2.gz MBSNCSJIXPQAGK-QAOVDPBSSA-N 2 0 351.447 -0.796 20 0 FBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@]3(C)CC[NH2+]C[C@@H]3O)C[C@H]1C2 ZINC001160792037 843909247 /nfs/dbraw/zinc/90/92/47/843909247.db2.gz MBSNCSJIXPQAGK-WYUJDHKNSA-N 2 0 351.447 -0.796 20 0 FBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)CNC3CC[NH2+]CC3)C[C@H]1C2 ZINC001160792050 843909036 /nfs/dbraw/zinc/90/90/36/843909036.db2.gz MPBRFAUJYMYFSR-PXMRGAAZSA-N 2 0 350.463 -0.815 20 0 FBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)C[C@]3(O)CCC[NH2+]C3)C[C@H]1C2 ZINC001160792053 843909275 /nfs/dbraw/zinc/90/92/75/843909275.db2.gz MTDXXRNJILMJHB-FOOXYVKASA-N 2 0 351.447 -0.652 20 0 FBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)C[C@@]3(O)CCC[NH2+]C3)C[C@H]1C2 ZINC001160792054 843909280 /nfs/dbraw/zinc/90/92/80/843909280.db2.gz MTDXXRNJILMJHB-OSARJHGOSA-N 2 0 351.447 -0.652 20 0 FBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1C[C@H]2C[C@]3(C(=O)OC)C[NH2+]C[C@@H]3[C@H]2C1 ZINC001160792155 843908961 /nfs/dbraw/zinc/90/89/61/843908961.db2.gz REJRUHDIZRZUKE-JSEZXORMSA-N 3 0 352.479 -0.440 20 0 FBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H]3CCSC34C[NH2+]C4)C[C@H]1C2 ZINC001160792236 843908920 /nfs/dbraw/zinc/90/89/20/843908920.db2.gz UJIJTBSOBMHMOD-KAHPBISDSA-N 2 0 365.499 -0.061 20 0 FBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@H]3CCSC34C[NH2+]C4)C[C@H]1C2 ZINC001160792237 843909207 /nfs/dbraw/zinc/90/92/07/843909207.db2.gz UJIJTBSOBMHMOD-RFJMFJJWSA-N 2 0 365.499 -0.061 20 0 FBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H]([NH3+])C3CCOCC3)C[C@H]1C2 ZINC001160793560 843908854 /nfs/dbraw/zinc/90/88/54/843908854.db2.gz BHRHYAIZMQSYEW-JSEZXORMSA-N 2 0 351.447 -0.403 20 0 FBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)CCCCNC(N)=[NH2+])C[C@H]1C2 ZINC001160794474 843909346 /nfs/dbraw/zinc/90/93/46/843909346.db2.gz OMABJPASZQLSAC-ZHRONYKTSA-N 2 0 351.451 -0.503 20 0 FBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)C3(O)CC[NH+](C)CC3)C[C@H]1C2 ZINC001160794510 843909389 /nfs/dbraw/zinc/90/93/89/843909389.db2.gz PLMHRCHHXBGAKZ-OEUWWYETSA-N 2 0 351.447 -0.700 20 0 FBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H]([NH3+])C3CC[NH2+]CC3)C[C@H]1C2 ZINC001160794514 843909252 /nfs/dbraw/zinc/90/92/52/843909252.db2.gz PMWYXKNJXWKHQE-JSEZXORMSA-N 3 0 350.463 -0.830 20 0 FBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@H]([NH3+])C3CC[NH2+]CC3)C[C@H]1C2 ZINC001160794517 843909074 /nfs/dbraw/zinc/90/90/74/843909074.db2.gz PMWYXKNJXWKHQE-VTWRMFPLSA-N 3 0 350.463 -0.830 20 0 FBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])C[C@H]1C2 ZINC001160797237 843909030 /nfs/dbraw/zinc/90/90/30/843909030.db2.gz LGTAYXURPRAJEB-VAVSNJLASA-N 3 0 352.479 -0.310 20 0 FBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H]3C[C@@H](OC)CC[NH2+]3)C[C@H]1C2 ZINC001160797556 843909065 /nfs/dbraw/zinc/90/90/65/843909065.db2.gz QQOABYVCYYTMQZ-BOIDDXRWSA-N 2 0 351.447 -0.390 20 0 FBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@H]3C[C@@H](OC)CC[NH2+]3)C[C@H]1C2 ZINC001160797558 843909425 /nfs/dbraw/zinc/90/94/25/843909425.db2.gz QQOABYVCYYTMQZ-GUCPESATSA-N 2 0 351.447 -0.390 20 0 FBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@H]3C[C@H](OC)CC[NH2+]3)C[C@H]1C2 ZINC001160797560 843909454 /nfs/dbraw/zinc/90/94/54/843909454.db2.gz QQOABYVCYYTMQZ-RUEXJQGXSA-N 2 0 351.447 -0.390 20 0 FBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H]3C[C@H](OC)CC[NH2+]3)C[C@H]1C2 ZINC001160797563 843908984 /nfs/dbraw/zinc/90/89/84/843908984.db2.gz QQOABYVCYYTMQZ-YQBONMRBSA-N 2 0 351.447 -0.390 20 0 FBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H]([NH3+])COC(C)(C)C)C[C@H]1C2 ZINC001160797974 843909019 /nfs/dbraw/zinc/90/90/19/843909019.db2.gz ZDZIBHOOFCLYOX-MTVAPTMQSA-N 2 0 353.463 -0.014 20 0 FBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CC(N2CCN(c3ccccn3)CC2)C1 ZINC001160805376 843909358 /nfs/dbraw/zinc/90/93/58/843909358.db2.gz BIEWJVZIEJKARZ-HNNXBMFYSA-N 2 0 364.519 -0.566 20 0 FBADRP CCOC(=O)[C@]12CN(C(=O)CC[NH+]3CCN(C)CC3)C[C@H]1C[NH2+]CC2 ZINC001160806011 843909232 /nfs/dbraw/zinc/90/92/32/843909232.db2.gz JUTUKJVJAIENDN-CRAIPNDOSA-N 2 0 352.479 -0.375 20 0 FBADRP CCOC(=O)c1cnc2n1CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CC2 ZINC001160806380 843909414 /nfs/dbraw/zinc/90/94/14/843909414.db2.gz OSOUBRDPPMPGES-NSHDSACASA-N 2 0 355.464 -0.536 20 0 FBADRP CCOC(=O)[C@]12CN(C(=O)C3=NO[C@]4(CC[NH2+]C4)C3)C[C@H]1C[NH2+]CC2 ZINC001160810532 843908971 /nfs/dbraw/zinc/90/89/71/843908971.db2.gz BWRWMSPQBLHJCS-CSMYWGQOSA-N 2 0 350.419 -0.504 20 0 FBADRP CCOC(=O)[C@]12CN(C(=O)C3=NO[C@@]4(CC[NH2+]C4)C3)C[C@H]1C[NH2+]CC2 ZINC001160810533 843909284 /nfs/dbraw/zinc/90/92/84/843909284.db2.gz BWRWMSPQBLHJCS-OAUYIBNBSA-N 2 0 350.419 -0.504 20 0 FBADRP CCOC(=O)[C@]12CN(C(=O)[C@@H]([NH3+])CSCNC(C)=O)C[C@H]1C[NH2+]CC2 ZINC001160811118 843909432 /nfs/dbraw/zinc/90/94/32/843909432.db2.gz JNTBOKBAUPOJEC-DVOMOZLQSA-N 2 0 372.491 -0.858 20 0 FBADRP CCOC(=O)[C@]12CN(C(=O)[C@]34C[NH2+]C[C@H]3C[NH2+]CC4)C[C@H]1C[NH2+]CC2 ZINC001160811165 843909326 /nfs/dbraw/zinc/90/93/26/843909326.db2.gz LSPIOVSCJGIPND-DTTOXWODSA-N 3 0 350.463 -0.813 20 0 FBADRP CCOC(=O)[C@]12CN(C(=O)C[C@H]3C[C@H]4C[NH2+]C[C@H]4O3)C[C@H]1C[NH2+]CC2 ZINC001160811312 843909050 /nfs/dbraw/zinc/90/90/50/843909050.db2.gz NJJSVZMVPYJDKJ-BHDXSGHGSA-N 2 0 351.447 -0.245 20 0 FBADRP CCOC(=O)[C@]12CN(C(=O)[C@@H]3C[C@@H]4CC[NH2+]C[C@H]4O3)C[C@H]1C[NH2+]CC2 ZINC001160811696 843909825 /nfs/dbraw/zinc/90/98/25/843909825.db2.gz URTFWKRTIVABNT-CGSPGFDNSA-N 2 0 351.447 -0.245 20 0 FBADRP CCOC(=O)[C@]12CN(C(=O)[C@H]3C[C@H]4C[NH2+]CC[C@@H]4O3)C[C@H]1C[NH2+]CC2 ZINC001160811907 843910187 /nfs/dbraw/zinc/91/01/87/843910187.db2.gz XPTXSIDLEFHIKC-CGSPGFDNSA-N 2 0 351.447 -0.245 20 0 FBADRP CCOC(=O)[C@]12CN(C(=O)[C@@H]([NH3+])C3CCC(O)CC3)C[C@H]1C[NH2+]CC2 ZINC001160811985 843910259 /nfs/dbraw/zinc/91/02/59/843910259.db2.gz CIUDKFRRIYFDHK-HCEOLYFYSA-N 2 0 353.463 -0.134 20 0 FBADRP CCOC(=O)C1(C(=O)N2C[C@H]3C[NH2+]CC[C@@]3(C(=O)OCC)C2)C[NH2+]C1 ZINC001160812073 843910007 /nfs/dbraw/zinc/91/00/07/843910007.db2.gz ZNMQJDQGQXVYAX-MLGOLLRUSA-N 2 0 353.419 -0.860 20 0 FBADRP CCOC(=O)[C@]12CN(C(=O)[C@H]3C[NH2+]C[C@H]3OC(C)=O)C[C@H]1C[NH2+]CC2 ZINC001160812211 843910015 /nfs/dbraw/zinc/91/00/15/843910015.db2.gz KHDXIZWYVCEJQF-UMPJEAMMSA-N 2 0 353.419 -0.861 20 0 FBADRP CCOC(=O)[C@]12CN(C(=O)[C@@H]3C[NH2+]C[C@H]3OC(C)=O)C[C@H]1C[NH2+]CC2 ZINC001160812212 843909869 /nfs/dbraw/zinc/90/98/69/843909869.db2.gz KHDXIZWYVCEJQF-VMUDFCTBSA-N 2 0 353.419 -0.861 20 0 FBADRP CCOC(=O)[C@]12CN(C(=O)[C@@H]3C[NH2+]C[C@@H]3OC(C)=O)C[C@H]1C[NH2+]CC2 ZINC001160812213 843910196 /nfs/dbraw/zinc/91/01/96/843910196.db2.gz KHDXIZWYVCEJQF-VWPFQQQWSA-N 2 0 353.419 -0.861 20 0 FBADRP CCOC(=O)[C@]12CN(C(=O)[C@H]3C[NH2+]C[C@@H]3OC(C)=O)C[C@H]1C[NH2+]CC2 ZINC001160812214 843910050 /nfs/dbraw/zinc/91/00/50/843910050.db2.gz KHDXIZWYVCEJQF-XJIUQZFPSA-N 2 0 353.419 -0.861 20 0 FBADRP CCOC(=O)[C@]12CN(C(=O)CN3CCC[C@@H]([NH2+]C)C3)C[C@H]1C[NH2+]CC2 ZINC001160812359 843910246 /nfs/dbraw/zinc/91/02/46/843910246.db2.gz OVBDTAPQLLVVGQ-IIDMSEBBSA-N 2 0 352.479 -0.329 20 0 FBADRP CCOC(=O)[C@]12CN(C(=O)CN3CCC[C@H]([NH2+]C)C3)C[C@H]1C[NH2+]CC2 ZINC001160812360 843910129 /nfs/dbraw/zinc/91/01/29/843910129.db2.gz OVBDTAPQLLVVGQ-RVKKMQEKSA-N 2 0 352.479 -0.329 20 0 FBADRP CCOC(=O)[C@]12CN(C(=O)[C@@H]3C[NH2+]C[C@@H]4CCO[C@H]43)C[C@H]1C[NH2+]CC2 ZINC001160813848 843909764 /nfs/dbraw/zinc/90/97/64/843909764.db2.gz JECFUOGNWGPFMJ-BHDXSGHGSA-N 2 0 351.447 -0.388 20 0 FBADRP CCOC(=O)[C@]12CN(C(=O)[C@@H]3C[NH2+]C[C@@H]4CCO[C@@H]43)C[C@H]1C[NH2+]CC2 ZINC001160813849 843910139 /nfs/dbraw/zinc/91/01/39/843910139.db2.gz JECFUOGNWGPFMJ-CIBFVHANSA-N 2 0 351.447 -0.388 20 0 FBADRP CCOC(=O)[C@]12CN(C(=O)[C@@H]3C[NH2+]C[C@H]4CCO[C@H]43)C[C@H]1C[NH2+]CC2 ZINC001160813850 843909719 /nfs/dbraw/zinc/90/97/19/843909719.db2.gz JECFUOGNWGPFMJ-VFCJXBEMSA-N 2 0 351.447 -0.388 20 0 FBADRP CCOC(=O)[C@]12CN(C(=O)[C@@H]3C[NH2+]C[C@H]4CCO[C@@H]43)C[C@H]1C[NH2+]CC2 ZINC001160813851 843910020 /nfs/dbraw/zinc/91/00/20/843910020.db2.gz JECFUOGNWGPFMJ-ZURLZEQWSA-N 2 0 351.447 -0.388 20 0 FBADRP C[NH+](C)C[C@@H]1COCCN1C(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F ZINC001160840022 843910085 /nfs/dbraw/zinc/91/00/85/843910085.db2.gz UCZVNDCHZPPLGP-NEPJUHHUSA-N 2 0 368.400 -0.049 20 0 FBADRP C[NH+](C)C[C@H]1COCCN1C(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F ZINC001160840023 843910211 /nfs/dbraw/zinc/91/02/11/843910211.db2.gz UCZVNDCHZPPLGP-RYUDHWBXSA-N 2 0 368.400 -0.049 20 0 FBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N(CCO)CC(F)(F)F ZINC001160909152 843912785 /nfs/dbraw/zinc/91/27/85/843912785.db2.gz ODVUCCLRZJGZNR-RYUDHWBXSA-N 2 0 368.400 -0.183 20 0 FBADRP O=C([C@H]1C[NH2+]CC12CCS(=O)(=O)CC2)N(c1ncccn1)C1C[NH2+]C1 ZINC001160915903 843912520 /nfs/dbraw/zinc/91/25/20/843912520.db2.gz RDHVSYCILCBTIM-CYBMUJFWSA-N 2 0 365.459 -0.804 20 0 FBADRP O=C([C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2)N(c1ncccn1)C1C[NH2+]C1 ZINC001160915904 843912632 /nfs/dbraw/zinc/91/26/32/843912632.db2.gz RDHVSYCILCBTIM-ZDUSSCGKSA-N 2 0 365.459 -0.804 20 0 FBADRP C[C@H]1CN(C)C(=O)CN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001160940778 843912570 /nfs/dbraw/zinc/91/25/70/843912570.db2.gz GFRCXKXTQKANIQ-IHRRRGAJSA-N 2 0 353.467 -0.877 20 0 FBADRP CSc1ncc2c(n1)CN(C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)CC2 ZINC001160941684 843912363 /nfs/dbraw/zinc/91/23/63/843912363.db2.gz OONZEANKKXPZNU-CYBMUJFWSA-N 2 0 350.492 -0.166 20 0 FBADRP CSc1ncc2c(n1)CN(C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)CC2 ZINC001160941685 843912408 /nfs/dbraw/zinc/91/24/08/843912408.db2.gz OONZEANKKXPZNU-ZDUSSCGKSA-N 2 0 350.492 -0.166 20 0 FBADRP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)[C@H]1C[NH2+]CC13CCS(=O)(=O)CC3)C2 ZINC001160964042 843913298 /nfs/dbraw/zinc/91/32/98/843913298.db2.gz NWEMJFQFPSAIKW-CKEIUWERSA-N 2 0 355.504 -0.189 20 0 FBADRP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)[C@@H]1C[NH2+]CC13CCS(=O)(=O)CC3)C2 ZINC001160964051 843913355 /nfs/dbraw/zinc/91/33/55/843913355.db2.gz NWEMJFQFPSAIKW-JKIFEVAISA-N 2 0 355.504 -0.189 20 0 FBADRP [NH3+][C@H]1CN(C(=O)[C@H]2C[NH2+]CC23CCS(=O)(=O)CC3)CC(F)(F)C1 ZINC001160966938 843913120 /nfs/dbraw/zinc/91/31/20/843913120.db2.gz GQIKGLZEKVGULQ-GHMZBOCLSA-N 2 0 351.419 -0.404 20 0 FBADRP [NH3+][C@H]1CN(C(=O)[C@@H]2C[NH2+]CC23CCS(=O)(=O)CC3)CC(F)(F)C1 ZINC001160966939 843913257 /nfs/dbraw/zinc/91/32/57/843913257.db2.gz GQIKGLZEKVGULQ-MNOVXSKESA-N 2 0 351.419 -0.404 20 0 FBADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2C[NH2+]CC23CCS(=O)(=O)CC3)CC(F)(F)C1 ZINC001160966940 843913200 /nfs/dbraw/zinc/91/32/00/843913200.db2.gz GQIKGLZEKVGULQ-QWRGUYRKSA-N 2 0 351.419 -0.404 20 0 FBADRP [NH3+][C@@H]1CN(C(=O)[C@H]2C[NH2+]CC23CCS(=O)(=O)CC3)CC(F)(F)C1 ZINC001160966941 843913389 /nfs/dbraw/zinc/91/33/89/843913389.db2.gz GQIKGLZEKVGULQ-WDEREUQCSA-N 2 0 351.419 -0.404 20 0 FBADRP [NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)N1C[C@H]([NH3+])CC(F)(F)C1 ZINC001160967740 843913406 /nfs/dbraw/zinc/91/34/06/843913406.db2.gz ORVZDBMPDNIVSD-MNOVXSKESA-N 2 0 356.377 -0.491 20 0 FBADRP [NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)N1C[C@@H]([NH3+])CC(F)(F)C1 ZINC001160967770 843913217 /nfs/dbraw/zinc/91/32/17/843913217.db2.gz ORVZDBMPDNIVSD-QWRGUYRKSA-N 2 0 356.377 -0.491 20 0 FBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1C[C@H]([NH3+])CC(F)(F)C1 ZINC001160972930 843913482 /nfs/dbraw/zinc/91/34/82/843913482.db2.gz UKPURIDHKDZPKV-AGIUHOORSA-N 3 0 361.437 -0.371 20 0 FBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1C[C@@H]([NH3+])CC(F)(F)C1 ZINC001160972947 843913550 /nfs/dbraw/zinc/91/35/50/843913550.db2.gz UKPURIDHKDZPKV-AVGNSLFASA-N 3 0 361.437 -0.371 20 0 FBADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC001160992003 843913270 /nfs/dbraw/zinc/91/32/70/843913270.db2.gz HIJZOZLEIQPYCU-STQMWFEESA-N 2 0 353.467 -0.972 20 0 FBADRP O=C([C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001160999833 843914429 /nfs/dbraw/zinc/91/44/29/843914429.db2.gz LSHFXMTWVLBXKC-KKUMJFAQSA-N 2 0 350.463 -0.555 20 0 FBADRP O=C([C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001160999834 843914339 /nfs/dbraw/zinc/91/43/39/843914339.db2.gz LSHFXMTWVLBXKC-SOUVJXGZSA-N 2 0 350.463 -0.555 20 0 FBADRP C[N@@H+]1C[C@H](C(=O)N2CC(O)([C@@H]3CCCC[NH2+]3)C2)OC2(CC[NH2+]CC2)C1 ZINC001160999928 843914273 /nfs/dbraw/zinc/91/42/73/843914273.db2.gz NAIJOHFUJWSYQU-CABCVRRESA-N 3 0 352.479 -0.845 20 0 FBADRP C[N@@H+]1C[C@@H](C(=O)N2CC(O)([C@@H]3CCCC[NH2+]3)C2)OC2(CC[NH2+]CC2)C1 ZINC001160999932 843914358 /nfs/dbraw/zinc/91/43/58/843914358.db2.gz NAIJOHFUJWSYQU-GJZGRUSLSA-N 3 0 352.479 -0.845 20 0 FBADRP C[N@@H+]1C[C@H](C(=O)N2CC(O)([C@H]3CCCC[NH2+]3)C2)OC2(CC[NH2+]CC2)C1 ZINC001160999935 843914004 /nfs/dbraw/zinc/91/40/04/843914004.db2.gz NAIJOHFUJWSYQU-HUUCEWRRSA-N 3 0 352.479 -0.845 20 0 FBADRP C[N@@H+]1C[C@@H](C(=O)N2CC(O)([C@H]3CCCC[NH2+]3)C2)OC2(CC[NH2+]CC2)C1 ZINC001160999937 843914183 /nfs/dbraw/zinc/91/41/83/843914183.db2.gz NAIJOHFUJWSYQU-LSDHHAIUSA-N 3 0 352.479 -0.845 20 0 FBADRP O=C([C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161000413 843914300 /nfs/dbraw/zinc/91/43/00/843914300.db2.gz SIVXGNWLSRUFHH-KBPBESRZSA-N 2 0 371.503 -0.884 20 0 FBADRP O=C([C@H]1C[NH2+]CC12CCS(=O)(=O)CC2)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161000417 843913986 /nfs/dbraw/zinc/91/39/86/843913986.db2.gz SIVXGNWLSRUFHH-KGLIPLIRSA-N 2 0 371.503 -0.884 20 0 FBADRP O=C([C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161000418 843913930 /nfs/dbraw/zinc/91/39/30/843913930.db2.gz SIVXGNWLSRUFHH-UONOGXRCSA-N 2 0 371.503 -0.884 20 0 FBADRP O=C([C@H]1C[NH2+]CC12CCS(=O)(=O)CC2)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161000419 843914172 /nfs/dbraw/zinc/91/41/72/843914172.db2.gz SIVXGNWLSRUFHH-ZIAGYGMSSA-N 2 0 371.503 -0.884 20 0 FBADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2CC(O)([C@@H]3CCCC[NH2+]3)C2)COC1(C)C ZINC001161006774 843914117 /nfs/dbraw/zinc/91/41/17/843914117.db2.gz FPHAVSYZMBPZND-AVGNSLFASA-N 2 0 354.451 -0.988 20 0 FBADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2CC(O)([C@H]3CCCC[NH2+]3)C2)COC1(C)C ZINC001161006777 843914449 /nfs/dbraw/zinc/91/44/49/843914449.db2.gz FPHAVSYZMBPZND-RWMBFGLXSA-N 2 0 354.451 -0.988 20 0 FBADRP [NH3+][C@H](C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1)C1CCC2(CC1)OCCO2 ZINC001161007232 843913868 /nfs/dbraw/zinc/91/38/68/843913868.db2.gz JBEZKSZZCCKSRV-CABCVRRESA-N 2 0 353.463 -0.038 20 0 FBADRP [NH3+][C@H](C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1)C1CCC2(CC1)OCCO2 ZINC001161007233 843914162 /nfs/dbraw/zinc/91/41/62/843914162.db2.gz JBEZKSZZCCKSRV-GJZGRUSLSA-N 2 0 353.463 -0.038 20 0 FBADRP [NH3+][C@@H](C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1)C1CCC2(CC1)OCCO2 ZINC001161007234 843914135 /nfs/dbraw/zinc/91/41/35/843914135.db2.gz JBEZKSZZCCKSRV-HUUCEWRRSA-N 2 0 353.463 -0.038 20 0 FBADRP [NH3+][C@@H](C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1)C1CCC2(CC1)OCCO2 ZINC001161007235 843913895 /nfs/dbraw/zinc/91/38/95/843913895.db2.gz JBEZKSZZCCKSRV-LSDHHAIUSA-N 2 0 353.463 -0.038 20 0 FBADRP O=C(c1csc(N2CC[NH2+]CC2)n1)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161009424 843913855 /nfs/dbraw/zinc/91/38/55/843913855.db2.gz VOYWUQMYMDUIFY-CYBMUJFWSA-N 2 0 351.476 -0.118 20 0 FBADRP O=C(c1csc(N2CC[NH2+]CC2)n1)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161009428 843914037 /nfs/dbraw/zinc/91/40/37/843914037.db2.gz VOYWUQMYMDUIFY-ZDUSSCGKSA-N 2 0 351.476 -0.118 20 0 FBADRP NC(=S)C1CCN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])CC1 ZINC001161031321 843915153 /nfs/dbraw/zinc/91/51/53/843915153.db2.gz AQASZRAGBVNJER-KBPBESRZSA-N 2 0 369.535 -0.042 20 0 FBADRP CC(=O)N(C(C)C)C1CCN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)CC1 ZINC001161050144 843914848 /nfs/dbraw/zinc/91/48/48/843914848.db2.gz LWOMIGBLKXGGNW-KRWDZBQOSA-N 2 0 353.511 -0.015 20 0 FBADRP CC(=O)N(C(C)C)C1CCN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CC1 ZINC001161050145 843914637 /nfs/dbraw/zinc/91/46/37/843914637.db2.gz LWOMIGBLKXGGNW-QGZVFWFLSA-N 2 0 353.511 -0.015 20 0 FBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC[C@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161066890 843915112 /nfs/dbraw/zinc/91/51/12/843915112.db2.gz DCQPZWSSXOBERN-KBPBESRZSA-N 2 0 369.491 -0.322 20 0 FBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC[C@@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161066891 843914878 /nfs/dbraw/zinc/91/48/78/843914878.db2.gz DCQPZWSSXOBERN-KGLIPLIRSA-N 2 0 369.491 -0.322 20 0 FBADRP [NH3+][C@@H](C(=O)N1CC[C@H](NS(=O)(=O)c2ccccn2)C1)C1CC[NH2+]CC1 ZINC001161067807 843915512 /nfs/dbraw/zinc/91/55/12/843915512.db2.gz LKMKFYIRIBQDCC-DZGCQCFKSA-N 2 0 367.475 -0.712 20 0 FBADRP [NH3+][C@H](C(=O)N1CC[C@@H](NS(=O)(=O)c2ccccn2)C1)C1CC[NH2+]CC1 ZINC001161067810 843915366 /nfs/dbraw/zinc/91/53/66/843915366.db2.gz LKMKFYIRIBQDCC-HIFRSBDPSA-N 2 0 367.475 -0.712 20 0 FBADRP [NH3+][C@@H](C(=O)N1CC[C@@H](NS(=O)(=O)c2ccccn2)C1)C1CC[NH2+]CC1 ZINC001161067814 843915732 /nfs/dbraw/zinc/91/57/32/843915732.db2.gz LKMKFYIRIBQDCC-UKRRQHHQSA-N 2 0 367.475 -0.712 20 0 FBADRP [NH3+][C@H](C(=O)N1CC[C@H](NS(=O)(=O)c2ccccn2)C1)C1CC[NH2+]CC1 ZINC001161067816 843915743 /nfs/dbraw/zinc/91/57/43/843915743.db2.gz LKMKFYIRIBQDCC-ZFWWWQNUSA-N 2 0 367.475 -0.712 20 0 FBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1CC[C@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161068186 843915808 /nfs/dbraw/zinc/91/58/08/843915808.db2.gz OFFWPOAWTJDIIJ-KBPBESRZSA-N 2 0 369.491 -0.193 20 0 FBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1CC[C@@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161068188 843915541 /nfs/dbraw/zinc/91/55/41/843915541.db2.gz OFFWPOAWTJDIIJ-UONOGXRCSA-N 2 0 369.491 -0.193 20 0 FBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CC[C@@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161068921 843915789 /nfs/dbraw/zinc/91/57/89/843915789.db2.gz XZTDVVXWGNOWJF-OLZOCXBDSA-N 2 0 355.464 -0.583 20 0 FBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CC[C@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161068922 843915641 /nfs/dbraw/zinc/91/56/41/843915641.db2.gz XZTDVVXWGNOWJF-STQMWFEESA-N 2 0 355.464 -0.583 20 0 FBADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N(C)C1(C)CC[NH2+]CC1 ZINC001161072885 843915724 /nfs/dbraw/zinc/91/57/24/843915724.db2.gz IJRXTXAOEFMYMM-STQMWFEESA-N 2 0 353.467 -0.959 20 0 FBADRP CCc1cc(NCCN(CC[NH3+])N(O)N=O)nc(N2CCOCC2)[nH+]1 ZINC001161091606 843915832 /nfs/dbraw/zinc/91/58/32/843915832.db2.gz AMJBPSYYBWLRHV-UHFFFAOYSA-N 2 0 354.415 -0.164 20 0 FBADRP [NH3+]CCN(CCNc1ncccc1C(=O)N1CC[NH2+]CC1)N(O)N=O ZINC001161092498 843915583 /nfs/dbraw/zinc/91/55/83/843915583.db2.gz RRPLQCJJLQTSFD-UHFFFAOYSA-N 2 0 352.399 -0.913 20 0 FBADRP [NH3+]CCN(CCNc1ccc(OCC2CC[NH2+]CC2)nn1)N(O)N=O ZINC001161095968 843916128 /nfs/dbraw/zinc/91/61/28/843916128.db2.gz RTNHSUPUPOJSBV-UHFFFAOYSA-N 2 0 354.415 -0.185 20 0 FBADRP C[C@@H]([NH3+])C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161118582 843916200 /nfs/dbraw/zinc/91/62/00/843916200.db2.gz HYNQOHPOPWJRGG-AGIUHOORSA-N 2 0 359.421 -0.924 20 0 FBADRP CCN(CCC(=O)OC)C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001161129050 843916287 /nfs/dbraw/zinc/91/62/87/843916287.db2.gz BAKDDTRTCQKWLR-KBPBESRZSA-N 2 0 356.467 -0.155 20 0 FBADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H]1C[N@H+](C)CC2(CC[NH2+]CC2)O1 ZINC001161157766 843916829 /nfs/dbraw/zinc/91/68/29/843916829.db2.gz IZQGAGPCNJWCDN-AWEZNQCLSA-N 3 0 356.467 -0.820 20 0 FBADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@H]1C[N@H+](C)CC2(CC[NH2+]CC2)O1 ZINC001161157767 843917211 /nfs/dbraw/zinc/91/72/11/843917211.db2.gz IZQGAGPCNJWCDN-CQSZACIVSA-N 3 0 356.467 -0.820 20 0 FBADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1 ZINC001161158070 843916990 /nfs/dbraw/zinc/91/69/90/843916990.db2.gz OSZSCHCWKUHGRG-KBPBESRZSA-N 2 0 354.451 -0.530 20 0 FBADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H]1COC(C)(C)N1C(=O)[C@H](C)[NH3+] ZINC001161158717 843917408 /nfs/dbraw/zinc/91/74/08/843917408.db2.gz NEEYQIFDBUZCGV-RYUDHWBXSA-N 2 0 358.439 -0.962 20 0 FBADRP CCOC(=O)CN(CCC[NH3+])C(=O)c1csc(N2CC[NH2+]CC2)n1 ZINC001161159129 843917003 /nfs/dbraw/zinc/91/70/03/843917003.db2.gz VKJOHMAKRHBGGS-UHFFFAOYSA-N 2 0 355.464 -0.093 20 0 FBADRP CCOC(=O)[C@H]1Cn2nccc2[C@H](C)N(C(=O)[C@@H]([NH3+])CSCC[NH3+])C1 ZINC001161170718 843917396 /nfs/dbraw/zinc/91/73/96/843917396.db2.gz LNAVKXPWADYIPD-XQQFMLRXSA-N 2 0 369.491 -0.015 20 0 FBADRP O=C([C@H]1C[C@@H](O)C[NH2+]1)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196193 843917235 /nfs/dbraw/zinc/91/72/35/843917235.db2.gz ALVBJNJJGQAAJE-IAGOWNOFSA-N 2 0 354.495 -0.740 20 0 FBADRP O=C([C@@H]1C[C@H](O)C[NH2+]1)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196196 843917371 /nfs/dbraw/zinc/91/73/71/843917371.db2.gz ALVBJNJJGQAAJE-IRXDYDNUSA-N 2 0 354.495 -0.740 20 0 FBADRP O=C([C@@H]1C[NH2+]CCO1)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196225 843917040 /nfs/dbraw/zinc/91/70/40/843917040.db2.gz AXDPNMGWEPUMRO-KRWDZBQOSA-N 3 0 354.495 -0.475 20 0 FBADRP O=C([C@H]1C[NH2+]CCO1)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196227 843916913 /nfs/dbraw/zinc/91/69/13/843916913.db2.gz AXDPNMGWEPUMRO-QGZVFWFLSA-N 3 0 354.495 -0.475 20 0 FBADRP [NH3+][C@@H]1CN[C@H](C(=O)N(CCCN2CCOCC2)CC2CC[NH2+]CC2)C1 ZINC001161197501 843916888 /nfs/dbraw/zinc/91/68/88/843916888.db2.gz AVGRSSZHYVZVAQ-IRXDYDNUSA-N 2 0 353.511 -0.774 20 0 FBADRP C[NH2+][C@H](C(=O)N(CCCN1CCOCC1)CC1CC[NH2+]CC1)[C@@H](C)O ZINC001161197788 843917121 /nfs/dbraw/zinc/91/71/21/843917121.db2.gz FJWOITUXHQHPGY-WBVHZDCISA-N 2 0 356.511 -0.494 20 0 FBADRP [NH3+][C@@H]1COC[C@@H]1C(=O)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161198024 843917456 /nfs/dbraw/zinc/91/74/56/843917456.db2.gz JRFGAJVINKNERH-DLBZAZTESA-N 2 0 354.495 -0.489 20 0 FBADRP O=C([C@H]1C[NH2+]C[C@H]1O)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161198027 843916955 /nfs/dbraw/zinc/91/69/55/843916955.db2.gz JUPREKVAXNMNCA-DLBZAZTESA-N 2 0 354.495 -0.883 20 0 FBADRP O=C([C@@H]1C[NH2+]C[C@H]1O)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161198028 843917418 /nfs/dbraw/zinc/91/74/18/843917418.db2.gz JUPREKVAXNMNCA-IAGOWNOFSA-N 2 0 354.495 -0.883 20 0 FBADRP O=C([C@H]1C[NH2+]C[C@@H]1O)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161198029 843917281 /nfs/dbraw/zinc/91/72/81/843917281.db2.gz JUPREKVAXNMNCA-IRXDYDNUSA-N 2 0 354.495 -0.883 20 0 FBADRP O=C([C@@H]1C[NH2+]C[C@@H]1O)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161198030 843917262 /nfs/dbraw/zinc/91/72/62/843917262.db2.gz JUPREKVAXNMNCA-SJORKVTESA-N 2 0 354.495 -0.883 20 0 FBADRP N[C@]1(C(=O)N(CCCN2CCOCC2)CC2CC[NH2+]CC2)CC[NH2+]C1 ZINC001161198130 843917313 /nfs/dbraw/zinc/91/73/13/843917313.db2.gz LXKUCENVSZEEHF-GOSISDBHSA-N 2 0 353.511 -0.772 20 0 FBADRP N[C@@]1(C(=O)N(CCCN2CCOCC2)CC2CC[NH2+]CC2)CC[NH2+]C1 ZINC001161198191 843917478 /nfs/dbraw/zinc/91/74/78/843917478.db2.gz LXKUCENVSZEEHF-SFHVURJKSA-N 2 0 353.511 -0.772 20 0 FBADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161198312 843917349 /nfs/dbraw/zinc/91/73/49/843917349.db2.gz PKQSJKUPSYEMDI-IRXDYDNUSA-N 2 0 353.511 -0.916 20 0 FBADRP [NH3+]CCC[NH2+]CC(=O)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161198462 843917429 /nfs/dbraw/zinc/91/74/29/843917429.db2.gz RWHKRGFRWXXYGI-UHFFFAOYSA-N 4 0 355.527 -0.525 20 0 FBADRP O=C([C@@H]1C[NH2+]CCN1)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161198738 843917785 /nfs/dbraw/zinc/91/77/85/843917785.db2.gz WFPCIANJGSCVDF-KRWDZBQOSA-N 2 0 353.511 -0.902 20 0 FBADRP O=C([C@H]1C[NH2+]CCN1)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161198739 843918097 /nfs/dbraw/zinc/91/80/97/843918097.db2.gz WFPCIANJGSCVDF-QGZVFWFLSA-N 2 0 353.511 -0.902 20 0 FBADRP O=C([C@H]1[NH2+]CC[C@@H]1O)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161198770 843918115 /nfs/dbraw/zinc/91/81/15/843918115.db2.gz XRBDULMXROGMFK-IRXDYDNUSA-N 2 0 354.495 -0.740 20 0 FBADRP O=C([C@H]1[NH2+]CC[C@H]1O)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161198771 843917924 /nfs/dbraw/zinc/91/79/24/843917924.db2.gz XRBDULMXROGMFK-SJORKVTESA-N 2 0 354.495 -0.740 20 0 FBADRP CSCC[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)N(C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161221589 843917934 /nfs/dbraw/zinc/91/79/34/843917934.db2.gz OATPMRPPYNRLIC-ZUWCUPBKSA-N 2 0 374.576 -0.019 20 0 FBADRP CN(C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])COC(C)(C)C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161221918 843918190 /nfs/dbraw/zinc/91/81/90/843918190.db2.gz QWKFNYMIAINCEM-AIEDFZFUSA-N 2 0 352.479 -0.204 20 0 FBADRP CCS(=O)(=O)NC1CCN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC1 ZINC001161259974 843918696 /nfs/dbraw/zinc/91/86/96/843918696.db2.gz CQZHCYSXXCFFLO-AWEZNQCLSA-N 2 0 358.508 -0.209 20 0 FBADRP CCS(=O)(=O)NC1CCN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC1 ZINC001161259975 843918977 /nfs/dbraw/zinc/91/89/77/843918977.db2.gz CQZHCYSXXCFFLO-CQSZACIVSA-N 2 0 358.508 -0.209 20 0 FBADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N(CC(C)(C)C)C1CC[NH2+]CC1 ZINC001161262050 843918833 /nfs/dbraw/zinc/91/88/33/843918833.db2.gz QOUUKHWQELNTSX-AAEUAGOBSA-N 2 0 355.483 -0.680 20 0 FBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCC(N2CCCOC2=O)CC1 ZINC001161264610 843918630 /nfs/dbraw/zinc/91/86/30/843918630.db2.gz PTACSLWFIPAWAP-HNNXBMFYSA-N 2 0 353.467 -0.430 20 0 FBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCC(N2CCCOC2=O)CC1 ZINC001161264611 843919090 /nfs/dbraw/zinc/91/90/90/843919090.db2.gz PTACSLWFIPAWAP-OAHLLOKOSA-N 2 0 353.467 -0.430 20 0 FBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCC(NC(=O)N2CCOCC2)CC1 ZINC001161269399 843918823 /nfs/dbraw/zinc/91/88/23/843918823.db2.gz BEJVPOMJLAARHX-ZDUSSCGKSA-N 2 0 359.496 -0.962 20 0 FBADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCC(N2CCCCS2(=O)=O)CC1 ZINC001161269714 843918845 /nfs/dbraw/zinc/91/88/45/843918845.db2.gz KFEQCWLSIVRISJ-AWEZNQCLSA-N 2 0 356.492 -0.788 20 0 FBADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCC(N2CCCCS2(=O)=O)CC1 ZINC001161269715 843918802 /nfs/dbraw/zinc/91/88/02/843918802.db2.gz KFEQCWLSIVRISJ-CQSZACIVSA-N 2 0 356.492 -0.788 20 0 FBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCC(N2CCCCS2(=O)=O)CC1 ZINC001161269796 843918961 /nfs/dbraw/zinc/91/89/61/843918961.db2.gz MJEMQCMEUUXWQX-ZDUSSCGKSA-N 2 0 364.537 -0.578 20 0 FBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCC(NC(=O)N2CCOCC2)CC1 ZINC001161269844 843918592 /nfs/dbraw/zinc/91/85/92/843918592.db2.gz NIWJJRNYCHOXBL-HNNXBMFYSA-N 2 0 355.483 -0.264 20 0 FBADRP [NH3+][C@H](C(=O)N1CCC(NC(=O)N2CCOCC2)CC1)C1CC[NH2+]CC1 ZINC001161270024 843918742 /nfs/dbraw/zinc/91/87/42/843918742.db2.gz PMBGZWASQOUMMN-HNNXBMFYSA-N 2 0 353.467 -0.654 20 0 FBADRP [NH3+][C@@H](C(=O)N1CCC(NC(=O)N2CCOCC2)CC1)C1CC[NH2+]CC1 ZINC001161270026 843918602 /nfs/dbraw/zinc/91/86/02/843918602.db2.gz PMBGZWASQOUMMN-OAHLLOKOSA-N 2 0 353.467 -0.654 20 0 FBADRP [NH3+][C@H](C(=O)N1CCC(N2CCCCS2(=O)=O)CC1)C1CC[NH2+]CC1 ZINC001161270105 843919046 /nfs/dbraw/zinc/91/90/46/843919046.db2.gz QTDLZGMUYGPHRF-HNNXBMFYSA-N 2 0 358.508 -0.270 20 0 FBADRP [NH3+][C@@H](C(=O)N1CCC(N2CCCCS2(=O)=O)CC1)C1CC[NH2+]CC1 ZINC001161270106 843918938 /nfs/dbraw/zinc/91/89/38/843918938.db2.gz QTDLZGMUYGPHRF-OAHLLOKOSA-N 2 0 358.508 -0.270 20 0 FBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1CCC(NC(=O)N2CCOCC2)CC1 ZINC001161270741 843919493 /nfs/dbraw/zinc/91/94/93/843919493.db2.gz WSYMSPUNAFBVQL-AWEZNQCLSA-N 2 0 355.483 -0.134 20 0 FBADRP O=C(N1CCC(N2CCCCS2(=O)=O)CC1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001161270855 843919685 /nfs/dbraw/zinc/91/96/85/843919685.db2.gz XGCFSWBWISXUJR-RHSMWYFYSA-N 2 0 370.519 -0.398 20 0 FBADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N(Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001161274166 843919363 /nfs/dbraw/zinc/91/93/63/843919363.db2.gz POAHOIOZYKIUGY-HNNXBMFYSA-N 2 0 369.491 -0.618 20 0 FBADRP COC(=O)[C@@H]1CN(C(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C)CCN1C(C)=O ZINC001161296047 843920255 /nfs/dbraw/zinc/92/02/55/843920255.db2.gz OIHAYBGYDFAXRJ-GJZGRUSLSA-N 2 0 356.467 -0.286 20 0 FBADRP COC(=O)[C@H]1CN(C(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C)CCN1C(C)=O ZINC001161296049 843920452 /nfs/dbraw/zinc/92/04/52/843920452.db2.gz OIHAYBGYDFAXRJ-LSDHHAIUSA-N 2 0 356.467 -0.286 20 0 FBADRP COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CCN1C(C)=O ZINC001161297674 843920366 /nfs/dbraw/zinc/92/03/66/843920366.db2.gz YWKKDYUXNGDLSX-KBPBESRZSA-N 2 0 352.435 -0.907 20 0 FBADRP COC(=O)[C@@H]1CN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CCN1C(C)=O ZINC001161297675 843920146 /nfs/dbraw/zinc/92/01/46/843920146.db2.gz YWKKDYUXNGDLSX-KGLIPLIRSA-N 2 0 352.435 -0.907 20 0 FBADRP COC(=O)[C@H]1CN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CCN1C(C)=O ZINC001161297676 843920412 /nfs/dbraw/zinc/92/04/12/843920412.db2.gz YWKKDYUXNGDLSX-UONOGXRCSA-N 2 0 352.435 -0.907 20 0 FBADRP COC(=O)[C@H]1CN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CCN1C(C)=O ZINC001161297677 843920553 /nfs/dbraw/zinc/92/05/53/843920553.db2.gz YWKKDYUXNGDLSX-ZIAGYGMSSA-N 2 0 352.435 -0.907 20 0 FBADRP COc1ccc(C(=O)N2CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CC2)cc1 ZINC001161304135 843920320 /nfs/dbraw/zinc/92/03/20/843920320.db2.gz VOBCTBYNYADZKJ-HNNXBMFYSA-N 2 0 366.487 -0.001 20 0 FBADRP Cc1c[nH+]ccc1N1CCN(C(=O)CN(CC[NH3+])S(C)(=O)=O)CC1 ZINC001161306639 843920478 /nfs/dbraw/zinc/92/04/78/843920478.db2.gz UGNHCHDOIXQNKB-UHFFFAOYSA-N 2 0 355.464 -0.741 20 0 FBADRP COc1cc(C)nc(N(C(=O)[C@@H]([NH3+])CSCC[NH3+])C2CC[NH2+]CC2)n1 ZINC001161309815 843920227 /nfs/dbraw/zinc/92/02/27/843920227.db2.gz VMAYBMGTRFKVGU-ZDUSSCGKSA-N 3 0 368.507 -0.102 20 0 FBADRP COc1cc(C)nc(N(C(=O)[C@@H]([NH3+])CC[S@](C)=O)C2CC[NH2+]CC2)n1 ZINC001161310266 843920539 /nfs/dbraw/zinc/92/05/39/843920539.db2.gz ZZJSQMZXEWCQIJ-CANCMXDXSA-N 2 0 369.491 -0.025 20 0 FBADRP COc1cc(C)nc(N(C(=O)[C@@H]([NH3+])CC[S@@](C)=O)C2CC[NH2+]CC2)n1 ZINC001161310267 843920614 /nfs/dbraw/zinc/92/06/14/843920614.db2.gz ZZJSQMZXEWCQIJ-ZJWNCGCPSA-N 2 0 369.491 -0.025 20 0 FBADRP [NH3+][C@H]1CC[C@H](N(C(=O)[C@@H]2NC(=O)CC23C[NH2+]C3)C2CCOCC2)CC1 ZINC001161316475 843920994 /nfs/dbraw/zinc/92/09/94/843920994.db2.gz HQFUVYHEYZTXSE-XEZPLFJOSA-N 2 0 350.463 -0.258 20 0 FBADRP [NH3+][C@H]1CC[C@H](N(C(=O)[C@H]2NC(=O)CC23C[NH2+]C3)C2CCOCC2)CC1 ZINC001161316476 843921154 /nfs/dbraw/zinc/92/11/54/843921154.db2.gz HQFUVYHEYZTXSE-XJKCOSOUSA-N 2 0 350.463 -0.258 20 0 FBADRP [NH3+][C@H]1CC[C@H](N(C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)C2CCOCC2)CC1 ZINC001161317649 843921233 /nfs/dbraw/zinc/92/12/33/843921233.db2.gz RJAFBIZIQGVVCO-DZKIICNBSA-N 2 0 352.479 -0.406 20 0 FBADRP [NH3+][C@H]1CC[C@H](N(C(=O)[C@H]2COC3(C[NH2+]C3)CN2)C2CCOCC2)CC1 ZINC001161317653 843920938 /nfs/dbraw/zinc/92/09/38/843920938.db2.gz RJAFBIZIQGVVCO-IIAWOOMASA-N 2 0 352.479 -0.406 20 0 FBADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N(C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001161322660 843921026 /nfs/dbraw/zinc/92/10/26/843921026.db2.gz XYLRIOMOVBCXKO-ABHRYQDASA-N 2 0 356.467 -0.912 20 0 FBADRP CCN(C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])[C@H]1CCC[NH2+]C1 ZINC001161339850 843921214 /nfs/dbraw/zinc/92/12/14/843921214.db2.gz MYDQQRTUULEKDV-IHRRRGAJSA-N 2 0 353.467 -0.959 20 0 FBADRP CCN(C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])[C@@H]1CCC[NH2+]C1 ZINC001161339851 843920887 /nfs/dbraw/zinc/92/08/87/843920887.db2.gz MYDQQRTUULEKDV-MJBXVCDLSA-N 2 0 353.467 -0.959 20 0 FBADRP CC(C)N(C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])[C@H]1CC[NH2+]C1 ZINC001161353700 843921119 /nfs/dbraw/zinc/92/11/19/843921119.db2.gz XAUYBRSCFRSLTB-IHRRRGAJSA-N 2 0 353.467 -0.960 20 0 FBADRP N[C@@H](C[NH3+])C(=O)N1c2ccccc2CN(C2CC[NH2+]CC2)S1(=O)=O ZINC001161353810 843921057 /nfs/dbraw/zinc/92/10/57/843921057.db2.gz BGENRYGVRNPLTO-ZDUSSCGKSA-N 2 0 353.448 -0.882 20 0 FBADRP N[C@@H](CC[NH3+])C(=O)N1c2ccccc2CN(C2CC[NH2+]CC2)S1(=O)=O ZINC001161354180 843921162 /nfs/dbraw/zinc/92/11/62/843921162.db2.gz IJUZVAQBRQUWSG-AWEZNQCLSA-N 2 0 367.475 -0.492 20 0 FBADRP [NH3+]C[C@@H](O)CC(=O)N1c2ccccc2CN(C2CC[NH2+]CC2)S1(=O)=O ZINC001161354693 843921719 /nfs/dbraw/zinc/92/17/19/843921719.db2.gz QCSVSOJZQPITGS-AWEZNQCLSA-N 2 0 368.459 -0.458 20 0 FBADRP [NH3+]C[C@H](O)CC(=O)N1c2ccccc2CN(C2CC[NH2+]CC2)S1(=O)=O ZINC001161354694 843921493 /nfs/dbraw/zinc/92/14/93/843921493.db2.gz QCSVSOJZQPITGS-CQSZACIVSA-N 2 0 368.459 -0.458 20 0 FBADRP COc1ccnc(OC2CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CC2)n1 ZINC001161371376 843921773 /nfs/dbraw/zinc/92/17/73/843921773.db2.gz ZNGBDQSJWSWEDH-LBPRGKRZSA-N 2 0 355.464 -0.126 20 0 FBADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001161379450 843921688 /nfs/dbraw/zinc/92/16/88/843921688.db2.gz PZDRLNWZTQDZDK-BPUTZDHNSA-N 2 0 353.511 -0.112 20 0 FBADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001161379451 843921649 /nfs/dbraw/zinc/92/16/49/843921649.db2.gz PZDRLNWZTQDZDK-IMJJTQAJSA-N 2 0 353.511 -0.112 20 0 FBADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N(c1ccncc1F)C1CC[NH2+]CC1 ZINC001161387252 843921969 /nfs/dbraw/zinc/92/19/69/843921969.db2.gz PJSCBNDMTUKPNJ-UHFFFAOYSA-N 2 0 373.454 -0.474 20 0 FBADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N(c1ccncc1F)C1CC[NH2+]CC1 ZINC001161387560 843921927 /nfs/dbraw/zinc/92/19/27/843921927.db2.gz RADZJOFXDXDACN-GWCFXTLKSA-N 2 0 353.398 -0.870 20 0 FBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001161412279 843922703 /nfs/dbraw/zinc/92/27/03/843922703.db2.gz IQBQRUZKKLIKRN-OTJKEOIZSA-N 3 0 351.495 -0.371 20 0 FBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001161412280 843922317 /nfs/dbraw/zinc/92/23/17/843922317.db2.gz IQBQRUZKKLIKRN-QMHWVQJVSA-N 3 0 351.495 -0.371 20 0 FBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001161412281 843922356 /nfs/dbraw/zinc/92/23/56/843922356.db2.gz IQBQRUZKKLIKRN-QRJUGERDSA-N 3 0 351.495 -0.371 20 0 FBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001161412282 843922854 /nfs/dbraw/zinc/92/28/54/843922854.db2.gz IQBQRUZKKLIKRN-QXKUPLGCSA-N 3 0 351.495 -0.371 20 0 FBADRP Cc1ccc(S(=O)(=O)n2cnc(C[C@@H]([NH3+])C(=O)N3CC[NH2+]C3)c2)cc1 ZINC001161417872 843922416 /nfs/dbraw/zinc/92/24/16/843922416.db2.gz YOZPBCMKWWXIAL-OAHLLOKOSA-N 2 0 363.443 -0.312 20 0 FBADRP CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])C(=O)N1CC[NH2+]C1 ZINC001161418815 843922830 /nfs/dbraw/zinc/92/28/30/843922830.db2.gz REUHTBFEJIMHGB-IHRRRGAJSA-N 2 0 353.467 -0.755 20 0 FBADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N(Cc1ccccc1)C1CC[NH2+]CC1 ZINC001161425360 843922598 /nfs/dbraw/zinc/92/25/98/843922598.db2.gz XXMVAXDMYZLYBF-UHFFFAOYSA-N 2 0 368.503 -0.013 20 0 FBADRP C[NH+](C)CCN(C(=O)[C@@H]1CNC(=O)C12CC[NH2+]CC2)[C@@H]1CCC[NH2+]C1 ZINC001161442965 843922813 /nfs/dbraw/zinc/92/28/13/843922813.db2.gz JRZFQORTOXMHRI-CABCVRRESA-N 3 0 351.495 -0.756 20 0 FBADRP C[NH+](C)CCN(C(=O)[C@@H]1CNC(=O)C12CC[NH2+]CC2)[C@H]1CCC[NH2+]C1 ZINC001161442966 843922300 /nfs/dbraw/zinc/92/23/00/843922300.db2.gz JRZFQORTOXMHRI-GJZGRUSLSA-N 3 0 351.495 -0.756 20 0 FBADRP C[NH+](C)CCN(C(=O)[C@H]1CNC(=O)C12CC[NH2+]CC2)[C@@H]1CCC[NH2+]C1 ZINC001161442967 843922520 /nfs/dbraw/zinc/92/25/20/843922520.db2.gz JRZFQORTOXMHRI-HUUCEWRRSA-N 3 0 351.495 -0.756 20 0 FBADRP C[NH+](C)CCN(C(=O)[C@H]1CNC(=O)C12CC[NH2+]CC2)[C@H]1CCC[NH2+]C1 ZINC001161442968 843923390 /nfs/dbraw/zinc/92/33/90/843923390.db2.gz JRZFQORTOXMHRI-LSDHHAIUSA-N 3 0 351.495 -0.756 20 0 FBADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]1COC3(C1)CC[NH2+]CC3)CC2 ZINC001161475980 843923426 /nfs/dbraw/zinc/92/34/26/843923426.db2.gz AFKZUWBYTNULKH-DEYYWGMASA-N 2 0 351.447 -0.101 20 0 FBADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@H]1COC3(C1)CC[NH2+]CC3)CC2 ZINC001161475981 843923185 /nfs/dbraw/zinc/92/31/85/843923185.db2.gz AFKZUWBYTNULKH-GLJUWKHASA-N 2 0 351.447 -0.101 20 0 FBADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]1COC3(C1)CC[NH2+]CC3)CC2 ZINC001161475982 843923502 /nfs/dbraw/zinc/92/35/02/843923502.db2.gz AFKZUWBYTNULKH-IYOUNJFTSA-N 2 0 351.447 -0.101 20 0 FBADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@H]1COC3(C1)CC[NH2+]CC3)CC2 ZINC001161475983 843923062 /nfs/dbraw/zinc/92/30/62/843923062.db2.gz AFKZUWBYTNULKH-LBTNJELSSA-N 2 0 351.447 -0.101 20 0 FBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@]2(C(=O)OC)CC[NH2+][C@@H]2C1 ZINC001161476436 843923513 /nfs/dbraw/zinc/92/35/13/843923513.db2.gz ATFRQOJRHXSRIU-GMIGKAJZSA-N 2 0 354.451 -0.770 20 0 FBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@@]2(C(=O)OC)CC[NH2+][C@H]2C1 ZINC001161476437 843923330 /nfs/dbraw/zinc/92/33/30/843923330.db2.gz ATFRQOJRHXSRIU-GWIFVGGISA-N 2 0 354.451 -0.770 20 0 FBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@@]2(C(=O)OC)CC[NH2+][C@@H]2C1 ZINC001161476438 843923245 /nfs/dbraw/zinc/92/32/45/843923245.db2.gz ATFRQOJRHXSRIU-IFOZYUSPSA-N 2 0 354.451 -0.770 20 0 FBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@]2(C(=O)OC)CC[NH2+][C@H]2C1 ZINC001161476439 843923483 /nfs/dbraw/zinc/92/34/83/843923483.db2.gz ATFRQOJRHXSRIU-MYLCLEHYSA-N 2 0 354.451 -0.770 20 0 FBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@@]2(C(=O)OC)CC[NH2+][C@H]2C1 ZINC001161476710 843923129 /nfs/dbraw/zinc/92/31/29/843923129.db2.gz BZLNLUDHPBMRJC-FJZAXULXSA-N 2 0 353.419 -0.861 20 0 FBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@]2(C(=O)OC)CC[NH2+][C@@H]2C1 ZINC001161476711 843923467 /nfs/dbraw/zinc/92/34/67/843923467.db2.gz BZLNLUDHPBMRJC-HPTBWKMGSA-N 2 0 353.419 -0.861 20 0 FBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@]2(C(=O)OC)CC[NH2+][C@H]2C1 ZINC001161476713 843923213 /nfs/dbraw/zinc/92/32/13/843923213.db2.gz BZLNLUDHPBMRJC-KOFHJDLBSA-N 2 0 353.419 -0.861 20 0 FBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@@]2(C(=O)OC)CC[NH2+][C@@H]2C1 ZINC001161476715 843923314 /nfs/dbraw/zinc/92/33/14/843923314.db2.gz BZLNLUDHPBMRJC-ZFRZLUBXSA-N 2 0 353.419 -0.861 20 0 FBADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)C[C@@H]1OC[C@H]3C[NH2+]CC[C@H]31)CC2 ZINC001161476824 843923382 /nfs/dbraw/zinc/92/33/82/843923382.db2.gz FBHYCLCTGDMSNP-AZSHCRGASA-N 2 0 351.447 -0.245 20 0 FBADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)C[C@@H]1OC[C@H]3C[NH2+]CC[C@H]31)CC2 ZINC001161476825 843923477 /nfs/dbraw/zinc/92/34/77/843923477.db2.gz FBHYCLCTGDMSNP-KAYRBKQESA-N 2 0 351.447 -0.245 20 0 FBADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)C[C@@H]1OC[C@H]3C[NH2+]CC[C@H]31)CC2 ZINC001161476826 843923283 /nfs/dbraw/zinc/92/32/83/843923283.db2.gz FBHYCLCTGDMSNP-NSIVTLKISA-N 2 0 351.447 -0.245 20 0 FBADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)C[C@@H]1OC[C@H]3C[NH2+]CC[C@H]31)CC2 ZINC001161476827 843923386 /nfs/dbraw/zinc/92/33/86/843923386.db2.gz FBHYCLCTGDMSNP-VPKNTQAGSA-N 2 0 351.447 -0.245 20 0 FBADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]([NH3+])CCCCNC(C)=O)CC2 ZINC001161478154 843923523 /nfs/dbraw/zinc/92/35/23/843923523.db2.gz HFGLFBKUCJHAIR-GRDNDAEWSA-N 2 0 354.451 -0.626 20 0 FBADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]([NH3+])CCCCNC(C)=O)CC2 ZINC001161478155 843923345 /nfs/dbraw/zinc/92/33/45/843923345.db2.gz HFGLFBKUCJHAIR-JJRVBVJISA-N 2 0 354.451 -0.626 20 0 FBADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]([NH3+])CCCCNC(C)=O)CC2 ZINC001161478157 843923458 /nfs/dbraw/zinc/92/34/58/843923458.db2.gz HFGLFBKUCJHAIR-VBQJREDUSA-N 2 0 354.451 -0.626 20 0 FBADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]([NH3+])CCCCNC(C)=O)CC2 ZINC001161478158 843923193 /nfs/dbraw/zinc/92/31/93/843923193.db2.gz HFGLFBKUCJHAIR-ZQIUZPCESA-N 2 0 354.451 -0.626 20 0 FBADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@H](CC(C)C)NC(=O)C[NH3+])CC2 ZINC001161479674 843923370 /nfs/dbraw/zinc/92/33/70/843923370.db2.gz LDUPQHXGAKPQCC-AHIWAGSCSA-N 2 0 354.451 -0.770 20 0 FBADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@H](CC(C)C)NC(=O)C[NH3+])CC2 ZINC001161479675 843923273 /nfs/dbraw/zinc/92/32/73/843923273.db2.gz LDUPQHXGAKPQCC-DCGLDWPTSA-N 2 0 354.451 -0.770 20 0 FBADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@H](CC(C)C)NC(=O)C[NH3+])CC2 ZINC001161479676 843923430 /nfs/dbraw/zinc/92/34/30/843923430.db2.gz LDUPQHXGAKPQCC-GDZNZVCISA-N 2 0 354.451 -0.770 20 0 FBADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@H](CC(C)C)NC(=O)C[NH3+])CC2 ZINC001161479677 843923279 /nfs/dbraw/zinc/92/32/79/843923279.db2.gz LDUPQHXGAKPQCC-OGHNNQOOSA-N 2 0 354.451 -0.770 20 0 FBADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@H]1CC[C@]3(C1)C[NH2+]CCO3)CC2 ZINC001161479892 843923218 /nfs/dbraw/zinc/92/32/18/843923218.db2.gz QOVAJGQJTSQFMD-DACLVMHWSA-N 2 0 351.447 -0.101 20 0 FBADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]1CC[C@@]3(C1)C[NH2+]CCO3)CC2 ZINC001161479893 843923322 /nfs/dbraw/zinc/92/33/22/843923322.db2.gz QOVAJGQJTSQFMD-DTDBQYNISA-N 2 0 351.447 -0.101 20 0 FBADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@H]1CC[C@@]3(C1)C[NH2+]CCO3)CC2 ZINC001161479894 843923363 /nfs/dbraw/zinc/92/33/63/843923363.db2.gz QOVAJGQJTSQFMD-JFTQMJAMSA-N 2 0 351.447 -0.101 20 0 FBADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]1CC[C@]3(C1)C[NH2+]CCO3)CC2 ZINC001161479895 843923353 /nfs/dbraw/zinc/92/33/53/843923353.db2.gz QOVAJGQJTSQFMD-KNCCTNLNSA-N 2 0 351.447 -0.101 20 0 FBADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]1C[N@@H+](C(C)(C)C)CCN1)CC2 ZINC001161480318 843923167 /nfs/dbraw/zinc/92/31/67/843923167.db2.gz OVUIGKRJWIMLBF-DEYYWGMASA-N 2 0 352.479 -0.188 20 0 FBADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@H]1C[N@@H+](C(C)(C)C)CCN1)CC2 ZINC001161480320 843923442 /nfs/dbraw/zinc/92/34/42/843923442.db2.gz OVUIGKRJWIMLBF-GLJUWKHASA-N 2 0 352.479 -0.188 20 0 FBADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]1C[N@@H+](C(C)(C)C)CCN1)CC2 ZINC001161480322 843923094 /nfs/dbraw/zinc/92/30/94/843923094.db2.gz OVUIGKRJWIMLBF-IYOUNJFTSA-N 2 0 352.479 -0.188 20 0 FBADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@H]1C[N@@H+](C(C)(C)C)CCN1)CC2 ZINC001161480324 843923830 /nfs/dbraw/zinc/92/38/30/843923830.db2.gz OVUIGKRJWIMLBF-LBTNJELSSA-N 2 0 352.479 -0.188 20 0 FBADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])CC2 ZINC001161480369 843924264 /nfs/dbraw/zinc/92/42/64/843924264.db2.gz PCAWMHFQEKBHTA-APNQJHFZSA-N 2 0 352.435 -0.922 20 0 FBADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])CC2 ZINC001161480370 843923786 /nfs/dbraw/zinc/92/37/86/843923786.db2.gz PCAWMHFQEKBHTA-JRATXPSKSA-N 2 0 352.435 -0.922 20 0 FBADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)CNC(=O)[C@@H]([NH3+])CC(C)C)CC2 ZINC001161480590 843923839 /nfs/dbraw/zinc/92/38/39/843923839.db2.gz VHTXEIJUIKCXCV-AHIWAGSCSA-N 2 0 354.451 -0.770 20 0 FBADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)CNC(=O)[C@@H]([NH3+])CC(C)C)CC2 ZINC001161480591 843923850 /nfs/dbraw/zinc/92/38/50/843923850.db2.gz VHTXEIJUIKCXCV-DCGLDWPTSA-N 2 0 354.451 -0.770 20 0 FBADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])CC2 ZINC001161480592 843924068 /nfs/dbraw/zinc/92/40/68/843924068.db2.gz PCAWMHFQEKBHTA-MRHIQRDNSA-N 2 0 352.435 -0.922 20 0 FBADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])CC2 ZINC001161480593 843924344 /nfs/dbraw/zinc/92/43/44/843924344.db2.gz PCAWMHFQEKBHTA-NEULZYRMSA-N 2 0 352.435 -0.922 20 0 FBADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@H](CCCC[NH3+])NC(C)=O)CC2 ZINC001161480671 843923977 /nfs/dbraw/zinc/92/39/77/843923977.db2.gz QDOGDOPNHMKRJE-GRDNDAEWSA-N 2 0 354.451 -0.626 20 0 FBADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@H](CCCC[NH3+])NC(C)=O)CC2 ZINC001161480673 843924178 /nfs/dbraw/zinc/92/41/78/843924178.db2.gz QDOGDOPNHMKRJE-JJRVBVJISA-N 2 0 354.451 -0.626 20 0 FBADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@H](CCCC[NH3+])NC(C)=O)CC2 ZINC001161480674 843924055 /nfs/dbraw/zinc/92/40/55/843924055.db2.gz QDOGDOPNHMKRJE-VBQJREDUSA-N 2 0 354.451 -0.626 20 0 FBADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@H](CCCC[NH3+])NC(C)=O)CC2 ZINC001161480676 843923928 /nfs/dbraw/zinc/92/39/28/843923928.db2.gz QDOGDOPNHMKRJE-ZQIUZPCESA-N 2 0 354.451 -0.626 20 0 FBADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)CNC(=O)[C@@H]([NH3+])CC(C)C)CC2 ZINC001161480780 843924077 /nfs/dbraw/zinc/92/40/77/843924077.db2.gz VHTXEIJUIKCXCV-GDZNZVCISA-N 2 0 354.451 -0.770 20 0 FBADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)CNC(=O)[C@@H]([NH3+])CC(C)C)CC2 ZINC001161480782 843924202 /nfs/dbraw/zinc/92/42/02/843924202.db2.gz VHTXEIJUIKCXCV-OGHNNQOOSA-N 2 0 354.451 -0.770 20 0 FBADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]1CC3(CO1)CC[NH2+]CC3)CC2 ZINC001161481167 843923940 /nfs/dbraw/zinc/92/39/40/843923940.db2.gz WXWGNYQCPALXDE-DEYYWGMASA-N 2 0 351.447 -0.101 20 0 FBADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@H]1CC3(CO1)CC[NH2+]CC3)CC2 ZINC001161481170 843923806 /nfs/dbraw/zinc/92/38/06/843923806.db2.gz WXWGNYQCPALXDE-GLJUWKHASA-N 2 0 351.447 -0.101 20 0 FBADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]1CC3(CO1)CC[NH2+]CC3)CC2 ZINC001161481173 843924059 /nfs/dbraw/zinc/92/40/59/843924059.db2.gz WXWGNYQCPALXDE-IYOUNJFTSA-N 2 0 351.447 -0.101 20 0 FBADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@H]1CC3(CO1)CC[NH2+]CC3)CC2 ZINC001161481176 843923888 /nfs/dbraw/zinc/92/38/88/843923888.db2.gz WXWGNYQCPALXDE-LBTNJELSSA-N 2 0 351.447 -0.101 20 0 FBADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@@]13CCCO[C@@H]1CC[NH2+]C3)CC2 ZINC001161481947 843924171 /nfs/dbraw/zinc/92/41/71/843924171.db2.gz ZNBQFOCGMYLHTK-DTTOXWODSA-N 2 0 351.447 -0.101 20 0 FBADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@]13CCCO[C@@H]1CC[NH2+]C3)CC2 ZINC001161481949 843924307 /nfs/dbraw/zinc/92/43/07/843924307.db2.gz ZNBQFOCGMYLHTK-IHETXDGRSA-N 2 0 351.447 -0.101 20 0 FBADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@]13CCCO[C@@H]1CC[NH2+]C3)CC2 ZINC001161481952 843924136 /nfs/dbraw/zinc/92/41/36/843924136.db2.gz ZNBQFOCGMYLHTK-KJWYOANISA-N 2 0 351.447 -0.101 20 0 FBADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@@]13CCCO[C@@H]1CC[NH2+]C3)CC2 ZINC001161481955 843923935 /nfs/dbraw/zinc/92/39/35/843923935.db2.gz ZNBQFOCGMYLHTK-MJSCVDMRSA-N 2 0 351.447 -0.101 20 0 FBADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]1CCC3(CC[NH2+]CC3)[NH2+]1)CC2 ZINC001161482012 843923812 /nfs/dbraw/zinc/92/38/12/843923812.db2.gz ZYSJONLFIFPZKC-DEYYWGMASA-N 3 0 350.463 -0.386 20 0 FBADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@H]1CCC3(CC[NH2+]CC3)[NH2+]1)CC2 ZINC001161482014 843924294 /nfs/dbraw/zinc/92/42/94/843924294.db2.gz ZYSJONLFIFPZKC-GLJUWKHASA-N 3 0 350.463 -0.386 20 0 FBADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]1CCC3(CC[NH2+]CC3)[NH2+]1)CC2 ZINC001161482016 843924353 /nfs/dbraw/zinc/92/43/53/843924353.db2.gz ZYSJONLFIFPZKC-IYOUNJFTSA-N 3 0 350.463 -0.386 20 0 FBADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@H]1CCC3(CC[NH2+]CC3)[NH2+]1)CC2 ZINC001161482017 843923892 /nfs/dbraw/zinc/92/38/92/843923892.db2.gz ZYSJONLFIFPZKC-LBTNJELSSA-N 3 0 350.463 -0.386 20 0 FBADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCC[C@@](C)(C[NH3+])C1 ZINC001161487091 843924007 /nfs/dbraw/zinc/92/40/07/843924007.db2.gz CWIKGYUREIXSLM-DCGLDWPTSA-N 2 0 353.467 -0.972 20 0 FBADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCC[C@](C)(C[NH3+])C1 ZINC001161487093 843924091 /nfs/dbraw/zinc/92/40/91/843924091.db2.gz CWIKGYUREIXSLM-GDZNZVCISA-N 2 0 353.467 -0.972 20 0 FBADRP CO[C@@H]1CN(C(=O)[C@H]([NH3+])CSCNC(=O)Cc2ccccc2)C[C@@H]1[NH3+] ZINC001161493092 843923860 /nfs/dbraw/zinc/92/38/60/843923860.db2.gz BYCKXVGWIIBZHA-RRFJBIMHSA-N 2 0 366.487 -0.452 20 0 FBADRP CO[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])COC(C)(C)C)C[C@@H]1[NH3+] ZINC001161493227 843924325 /nfs/dbraw/zinc/92/43/25/843924325.db2.gz GZXLNKHZQPIUIV-XDQVBPFNSA-N 2 0 356.467 -0.696 20 0 FBADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)N1C[C@@H](OC)[C@@H]([NH3+])C1 ZINC001161494323 843924107 /nfs/dbraw/zinc/92/41/07/843924107.db2.gz ZRWPZAWCJDNNQC-YHQUGGNUSA-N 2 0 360.524 -0.218 20 0 FBADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001161510344 843924769 /nfs/dbraw/zinc/92/47/69/843924769.db2.gz NQAFUMWOGHNPMA-FQUUOJAGSA-N 2 0 372.535 -0.216 20 0 FBADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001161510345 843924860 /nfs/dbraw/zinc/92/48/60/843924860.db2.gz NQAFUMWOGHNPMA-XUXIUFHCSA-N 2 0 372.535 -0.216 20 0 FBADRP [NH3+][C@@H](CCCCNC(=O)C(F)(F)F)C(=O)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001161510352 843924933 /nfs/dbraw/zinc/92/49/33/843924933.db2.gz NSGWRDYSLVKOGB-UWVGGRQHSA-N 2 0 352.357 -0.651 20 0 FBADRP [NH3+][C@@H](CCCCNC(=O)C(F)(F)F)C(=O)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001161510353 843925010 /nfs/dbraw/zinc/92/50/10/843925010.db2.gz NSGWRDYSLVKOGB-VHSXEESVSA-N 2 0 352.357 -0.651 20 0 FBADRP COCCOC1CN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001161572222 843925602 /nfs/dbraw/zinc/92/56/02/843925602.db2.gz GIOBPVKRPVMHIY-GJZGRUSLSA-N 2 0 356.467 -0.693 20 0 FBADRP CS(=O)(=O)c1nc2c(c(NCCN3CCC([NH3+])CC3)n1)CC[NH2+]CC2 ZINC001161867719 843928247 /nfs/dbraw/zinc/92/82/47/843928247.db2.gz YLAWKOWWXVFVJZ-UHFFFAOYSA-N 2 0 368.507 -0.597 20 0 FBADRP CC1(C)C[NH2+]C[C@H](CNc2nc(S(C)(=O)=O)nc3c2CC[NH2+]CC3)O1 ZINC001161950971 843928541 /nfs/dbraw/zinc/92/85/41/843928541.db2.gz RSNJVRNSGRRWRL-LLVKDONJSA-N 2 0 369.491 -0.253 20 0 FBADRP COC(=O)[C@H]1C[NH2+]C[C@@H]1c1cc(C)cnc1N(CC[NH3+])S(C)(=O)=O ZINC001162124095 843930079 /nfs/dbraw/zinc/93/00/79/843930079.db2.gz MUAOSRAUECPGPV-OLZOCXBDSA-N 2 0 356.448 -0.409 20 0 FBADRP CS(=O)(=O)N(CC[NH3+])c1ccc(S(=O)(=O)C2CC[NH2+]CC2)cc1 ZINC001162128776 843930501 /nfs/dbraw/zinc/93/05/01/843930501.db2.gz JQRPLXGFJQLOSZ-UHFFFAOYSA-N 2 0 361.489 -0.063 20 0 FBADRP CNC(=O)C[NH+]1CCC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)(COC)CC1 ZINC001162275530 843931681 /nfs/dbraw/zinc/93/16/81/843931681.db2.gz VWXAOYCRWMALSC-HUUCEWRRSA-N 2 0 354.495 -0.083 20 0 FBADRP CS(=O)(=O)c1nc2c(c(NCCC[NH2+]CCCC[NH3+])n1)CC[NH2+]CC2 ZINC001162288944 843931790 /nfs/dbraw/zinc/93/17/90/843931790.db2.gz ASZIKLBTPSOBSB-UHFFFAOYSA-N 3 0 370.523 -0.301 20 0 FBADRP COC(=O)c1cc(S(N)(=O)=O)cnc1NCCC[NH2+]CCCC[NH3+] ZINC001162294718 843931436 /nfs/dbraw/zinc/93/14/36/843931436.db2.gz UQSFAXMQAOMOMF-UHFFFAOYSA-N 2 0 359.452 -0.354 20 0 FBADRP CS(=O)(=O)c1nc2c(c(NC[C@@H]3CC[NH2+]C[C@@H]3F)n1)CC[NH2+]CC2 ZINC001162804050 843937680 /nfs/dbraw/zinc/93/76/80/843937680.db2.gz ZIHFYAVENQEQNJ-JQWIXIFHSA-N 2 0 357.455 -0.072 20 0 FBADRP CS(=O)(=O)N1CCN(c2cccc(NC[C@@]34C[NH2+][C@@H](CO3)C4)[nH+]2)CC1 ZINC001163193155 843942073 /nfs/dbraw/zinc/94/20/73/843942073.db2.gz MSRNBHNHKNXJKV-CZUORRHYSA-N 2 0 367.475 -0.294 20 0 FBADRP COC(=O)[C@H]1C[NH2+]C[C@@H]1c1cc(C)cnc1N(C)S(=O)(=O)CC[NH3+] ZINC001164287772 843947652 /nfs/dbraw/zinc/94/76/52/843947652.db2.gz VWCKAGGARFYIOQ-OLZOCXBDSA-N 2 0 356.448 -0.409 20 0 FBADRP CN(c1ccc(S(=O)(=O)C2CC[NH2+]CC2)cc1)S(=O)(=O)CC[NH3+] ZINC001164297209 843947497 /nfs/dbraw/zinc/94/74/97/843947497.db2.gz XRNCTQQMMXQUHX-UHFFFAOYSA-N 2 0 361.489 -0.063 20 0 FBADRP C[NH+]1CCN(c2ccc(N3Cc4ncnn4C4(CC[NH2+]CC4)C3)nn2)CC1 ZINC001164416081 718884965 /nfs/dbraw/zinc/88/49/65/718884965.db2.gz RORBAROTVBPTSQ-UHFFFAOYSA-N 2 0 369.477 -0.081 20 0 FBADRP C[NH+]1CCN(c2ccc(N3CCCO[C@]4(C[NH2+]CCOC4)C3)nn2)CC1 ZINC001164420854 718913211 /nfs/dbraw/zinc/91/32/11/718913211.db2.gz NRNKWOBWSUZOMV-GOSISDBHSA-N 2 0 362.478 -0.186 20 0 FBADRP C[NH+]1CCN(c2ccc(N3CCCO[C@@]4(C[NH2+]CCOC4)C3)nn2)CC1 ZINC001164420855 718912764 /nfs/dbraw/zinc/91/27/64/718912764.db2.gz NRNKWOBWSUZOMV-SFHVURJKSA-N 2 0 362.478 -0.186 20 0 FBADRP C[C@@H]1[C@H](C(=O)NCCC2(C[NH2+]CCNS(C)(=O)=O)CC2)CC[N@@H+]1C ZINC001164575603 843949412 /nfs/dbraw/zinc/94/94/12/843949412.db2.gz CNWVMZJVLSJEOD-ZIAGYGMSSA-N 2 0 360.524 -0.248 20 0 FBADRP C[C@@H]([NH2+]CC1(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)C(=O)NC(N)=O ZINC001164576642 843949457 /nfs/dbraw/zinc/94/94/57/843949457.db2.gz VDKRRRYGIPFCTL-JHJVBQTASA-N 2 0 353.467 -0.214 20 0 FBADRP C[C@H]([NH2+]CC1(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)C(=O)NC(N)=O ZINC001164576643 843949522 /nfs/dbraw/zinc/94/95/22/843949522.db2.gz VDKRRRYGIPFCTL-YNEHKIRRSA-N 2 0 353.467 -0.214 20 0 FBADRP C[C@@H]1[C@H](C(=O)NCCC2(C[NH2+]Cc3nc(=O)n(C)[nH]3)CC2)CC[N@@H+]1C ZINC001164578811 843949396 /nfs/dbraw/zinc/94/93/96/843949396.db2.gz STSYRMIZQOHFMR-CHWSQXEVSA-N 2 0 350.467 -0.175 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)NCCC2(C[NH2+]CC(=O)NC(N)=O)CC2)CC[N@@H+]1C ZINC001164578854 843949502 /nfs/dbraw/zinc/94/95/02/843949502.db2.gz WFULJKWYTRXOKU-QWHCGFSZSA-N 2 0 353.467 -0.212 20 0 FBADRP CNC(=O)NC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001164582646 843949542 /nfs/dbraw/zinc/94/95/42/843949542.db2.gz LVBXSERRIPQGIW-CHWSQXEVSA-N 2 0 353.467 -0.342 20 0 FBADRP C[NH+](C)CCNC(=O)c1noc2c1CN(c1ncc3c(n1)C[NH2+]C3)CC2 ZINC001164749770 720954619 /nfs/dbraw/zinc/95/46/19/720954619.db2.gz HBPDKTGDMFVAFQ-UHFFFAOYSA-N 2 0 357.418 -0.078 20 0 FBADRP C[NH+](C)CCNC(=O)c1noc2c1CN(c1ncnc3c1CC[NH2+]C3)CC2 ZINC001164750638 720949533 /nfs/dbraw/zinc/94/95/33/720949533.db2.gz MEWGFHDECQIMKN-UHFFFAOYSA-N 2 0 371.445 -0.036 20 0 FBADRP C[NH+](C)CCNC(=O)c1noc2c1CN(c1ncc3c(n1)CC[NH2+]C3)CC2 ZINC001164750688 720948924 /nfs/dbraw/zinc/94/89/24/720948924.db2.gz MNOMBZNITHLOSY-UHFFFAOYSA-N 2 0 371.445 -0.036 20 0 FBADRP C[NH+](C)CCNC(=O)c1noc2c1CN(c1cc3c(nn1)CC[NH2+]C3)CC2 ZINC001164752410 720960024 /nfs/dbraw/zinc/96/00/24/720960024.db2.gz XSXLLIUZFHFMQY-UHFFFAOYSA-N 2 0 371.445 -0.036 20 0 FBADRP CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3cc(C[NH3+])ncn3)CC2)C1 ZINC001164870461 721267946 /nfs/dbraw/zinc/26/79/46/721267946.db2.gz ZETQLLSCHJCCSL-UHFFFAOYSA-N 2 0 362.478 -0.058 20 0 FBADRP C[NH+]1C[C@H]2CN(c3nc(S(C)(=O)=O)nc4c3CC[NH2+]CC4)C[C@@H]2C1 ZINC001165144289 843949898 /nfs/dbraw/zinc/94/98/98/843949898.db2.gz HRAJWJLCWAUCAC-RYUDHWBXSA-N 2 0 351.476 -0.434 20 0 FBADRP C[N@H+]1C[C@H]2CN(c3nc(S(C)(=O)=O)nc4c3CC[NH2+]CC4)C[C@H]2C1 ZINC001165144296 843949765 /nfs/dbraw/zinc/94/97/65/843949765.db2.gz HRAJWJLCWAUCAC-TXEJJXNPSA-N 2 0 351.476 -0.434 20 0 FBADRP C[NH+]1C[C@@H]2CN(c3nc(S(C)(=O)=O)nc4c3CC[NH2+]CC4)C[C@H]2C1 ZINC001165144301 843950067 /nfs/dbraw/zinc/95/00/67/843950067.db2.gz HRAJWJLCWAUCAC-VXGBXAGGSA-N 2 0 351.476 -0.434 20 0 FBADRP C[NH+](C)C[C@]12C[C@H]1CN(c1nc(S(C)(=O)=O)nc3c1CC[NH2+]CC3)C2 ZINC001165180561 843951159 /nfs/dbraw/zinc/95/11/59/843951159.db2.gz DJGQNNKMXLNKJS-SJCJKPOMSA-N 2 0 365.503 -0.044 20 0 FBADRP CS(=O)(=O)c1nc2c(c(N3CCC(F)(C[NH3+])CC3)n1)CC[NH2+]CC2 ZINC001165259994 843950825 /nfs/dbraw/zinc/95/08/25/843950825.db2.gz SGRRPLJUTOOFMH-UHFFFAOYSA-N 2 0 357.455 -0.165 20 0 FBADRP COC(=O)c1cc(S(N)(=O)=O)cnc1-n1c(C)nc2c1CC[NH2+]CC2 ZINC001165357190 843951704 /nfs/dbraw/zinc/95/17/04/843951704.db2.gz VHRCTIWKXNYFQG-UHFFFAOYSA-N 2 0 365.415 -0.302 20 0 FBADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)c1ncnc2c1CC[NH2+]C2 ZINC001165500188 843952935 /nfs/dbraw/zinc/95/29/35/843952935.db2.gz IAHNHTQQHMSIRK-UHFFFAOYSA-N 2 0 364.431 -0.278 20 0 FBADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)c1ncc2c(n1)CC[NH2+]C2 ZINC001165500229 843953191 /nfs/dbraw/zinc/95/31/91/843953191.db2.gz JIWLKRQKVVSZPU-UHFFFAOYSA-N 2 0 364.431 -0.278 20 0 FBADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)c1cc2c(nn1)CC[NH2+]C2 ZINC001165501109 843952746 /nfs/dbraw/zinc/95/27/46/843952746.db2.gz WYZVBFHFVCVILY-UHFFFAOYSA-N 2 0 364.431 -0.278 20 0 FBADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)c1cc(C2C[NH2+]C2)ncn1 ZINC001165501129 843953244 /nfs/dbraw/zinc/95/32/44/843953244.db2.gz KQHCFZQMCYMTBL-UHFFFAOYSA-N 2 0 364.431 -0.237 20 0 FBADRP [NH3+]CCc1nnn(-c2ccc(S(=O)(=O)NC3CC[NH2+]CC3)cc2)n1 ZINC001167793197 836090975 /nfs/dbraw/zinc/09/09/75/836090975.db2.gz VVKYBZHKDCLYKC-UHFFFAOYSA-N 2 0 351.436 -0.806 20 0 FBADRP COC(=O)CNS(=O)(=O)c1ccc(NC(=[NH2+])NCCCC[NH3+])nc1 ZINC001167880189 836095153 /nfs/dbraw/zinc/09/51/53/836095153.db2.gz BHIRFBHEEXTRBQ-UHFFFAOYSA-N 2 0 358.424 -0.792 20 0 FBADRP CS(=O)(=O)N1CCN(c2cccc(NC(=[NH2+])NCCCC[NH3+])n2)CC1 ZINC001167880191 836095435 /nfs/dbraw/zinc/09/54/35/836095435.db2.gz BIJGQWCLLZVOPE-UHFFFAOYSA-N 2 0 369.495 -0.162 20 0 FBADRP CN1CCN(S(=O)(=O)c2cccnc2NC(=[NH2+])NCCCC[NH3+])CC1 ZINC001167880271 836095390 /nfs/dbraw/zinc/09/53/90/836095390.db2.gz FNXDTQMJIJRMHG-UHFFFAOYSA-N 2 0 369.495 -0.307 20 0 FBADRP CN1CCN(S(=O)(=O)c2ccc(NC(=[NH2+])NCCCC[NH3+])nc2)CC1 ZINC001167880450 836095359 /nfs/dbraw/zinc/09/53/59/836095359.db2.gz OERCDAOAJCEWEN-UHFFFAOYSA-N 2 0 369.495 -0.307 20 0 FBADRP COC(=O)Cc1cc(NC(=[NH2+])NCCCC[NH3+])ccc1S(N)(=O)=O ZINC001167883943 836096686 /nfs/dbraw/zinc/09/66/86/836096686.db2.gz OAIJABPSGFLRCL-UHFFFAOYSA-N 2 0 357.436 -0.275 20 0 FBADRP Cc1cn(CC(=O)NCC[NH2+]C2CCC([NH+](C)C)CC2)c(=O)[nH]c1=O ZINC001168304242 836508511 /nfs/dbraw/zinc/50/85/11/836508511.db2.gz QOJHHPOJLDPFGE-UHFFFAOYSA-N 2 0 351.451 -0.164 20 0 FBADRP C[NH+](C)C1CCC([NH2+]CC(=O)N2CCC[C@H]2C(=O)NCC(N)=O)CC1 ZINC001168312211 836509820 /nfs/dbraw/zinc/50/98/20/836509820.db2.gz LJFLEHMBMFFGKZ-RUXDESIVSA-N 2 0 353.467 -0.959 20 0 FBADRP [NH3+]Cc1nc(=O)[n-]n1-c1ccc(S(=O)(=O)NC2CC[NH2+]CC2)cc1 ZINC001168762762 837800939 /nfs/dbraw/zinc/80/09/39/837800939.db2.gz OLAGFKRPOGCFGL-UHFFFAOYSA-N 2 0 352.420 -0.538 20 0 FBADRP CC(=O)N1CC[C@@H]([NH+]2CC[C@@H]3C[N@H+](CC(=O)N(C)C)CCO[C@@H]3C2)C1 ZINC001169548943 839308850 /nfs/dbraw/zinc/30/88/50/839308850.db2.gz JFRRKHYJPRCFNN-BRWVUGGUSA-N 2 0 352.479 -0.282 20 0 FBADRP CC(=O)N1CC[C@H]([NH+]2CC[C@@H]3C[N@H+](CC(=O)N(C)C)CCO[C@@H]3C2)C1 ZINC001169548945 839309546 /nfs/dbraw/zinc/30/95/46/839309546.db2.gz JFRRKHYJPRCFNN-IXDOHACOSA-N 2 0 352.479 -0.282 20 0 FBADRP CC(=O)N1CCC[C@H]([NH2+]CCOCCOCCOCCOCC[NH3+])C1 ZINC001169587001 839310873 /nfs/dbraw/zinc/31/08/73/839310873.db2.gz OLXGMWFJUMPEFO-KRWDZBQOSA-N 2 0 361.483 -0.388 20 0 FBADRP CC(=O)N1CCC[C@@H]([NH2+]CCOCCOCCOCCOCC[NH3+])C1 ZINC001169587002 839310185 /nfs/dbraw/zinc/31/01/85/839310185.db2.gz OLXGMWFJUMPEFO-QGZVFWFLSA-N 2 0 361.483 -0.388 20 0 FBADRP CC(C)(C)OC(=O)N1C[C@H]([NH2+]C[C@@H](O)C[NH3+])C[C@H]1C(=O)N1CCSC1 ZINC001170013140 839413359 /nfs/dbraw/zinc/41/33/59/839413359.db2.gz CSTFOHIXVQFVID-AGIUHOORSA-N 2 0 374.507 -0.194 20 0 FBADRP CC(C)(C)OC(=O)N1C[C@@H]([NH2+]C[C@@H](O)C[NH3+])C[C@H]1C(=O)N1CCSC1 ZINC001170013141 839413567 /nfs/dbraw/zinc/41/35/67/839413567.db2.gz CSTFOHIXVQFVID-AVGNSLFASA-N 2 0 374.507 -0.194 20 0 FBADRP CC(C)(C)OC(=O)N1C[C@H]([NH2+]C[C@H](O)C[NH3+])C[C@H]1C(=O)N1CCSC1 ZINC001170013143 839413760 /nfs/dbraw/zinc/41/37/60/839413760.db2.gz CSTFOHIXVQFVID-UPJWGTAASA-N 2 0 374.507 -0.194 20 0 FBADRP CC(C)(C)OC(=O)N1C[C@@H]([NH2+]C[C@H](O)C[NH3+])C[C@H]1C(=O)N1CCSC1 ZINC001170013144 839413610 /nfs/dbraw/zinc/41/36/10/839413610.db2.gz CSTFOHIXVQFVID-XQQFMLRXSA-N 2 0 374.507 -0.194 20 0 FBADRP COC(=O)[C@@H]1CC[C@H]([NH2+]CCOCCOCCOCCOCC[NH3+])C1 ZINC001170523814 839660324 /nfs/dbraw/zinc/66/03/24/839660324.db2.gz JBYIZRBQBDSPJH-CVEARBPZSA-N 2 0 362.467 -0.057 20 0 FBADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]CCOCCOCCOCCOCC[NH3+])C1 ZINC001170523815 839660565 /nfs/dbraw/zinc/66/05/65/839660565.db2.gz JBYIZRBQBDSPJH-HZPDHXFCSA-N 2 0 362.467 -0.057 20 0 FBADRP C[C@H](Nc1cccc(N2CCN(S(C)(=O)=O)CC2)[nH+]1)[C@@H]1C[NH2+]CCO1 ZINC001170568495 839690697 /nfs/dbraw/zinc/69/06/97/839690697.db2.gz IKXISVHKFQOLKR-KBPBESRZSA-N 2 0 369.491 -0.048 20 0 FBADRP C[C@@H](Nc1cccc(N2CCN(S(C)(=O)=O)CC2)[nH+]1)[C@@H]1C[NH2+]CCO1 ZINC001170568496 839691005 /nfs/dbraw/zinc/69/10/05/839691005.db2.gz IKXISVHKFQOLKR-KGLIPLIRSA-N 2 0 369.491 -0.048 20 0 FBADRP C[C@H](Nc1cccc(N2CCN(S(C)(=O)=O)CC2)[nH+]1)[C@H]1C[NH2+]CCO1 ZINC001170568497 839690455 /nfs/dbraw/zinc/69/04/55/839690455.db2.gz IKXISVHKFQOLKR-UONOGXRCSA-N 2 0 369.491 -0.048 20 0 FBADRP C[C@@H](Nc1cccc(N2CCN(S(C)(=O)=O)CC2)[nH+]1)[C@H]1C[NH2+]CCO1 ZINC001170568498 839691058 /nfs/dbraw/zinc/69/10/58/839691058.db2.gz IKXISVHKFQOLKR-ZIAGYGMSSA-N 2 0 369.491 -0.048 20 0 FBADRP O=S(=O)(NC1CC[NH2+]CC1)c1ccc(N[C@@H]2C[NH2+]C[C@H]2CO)cc1 ZINC001170789428 839736781 /nfs/dbraw/zinc/73/67/81/839736781.db2.gz OBHAGUOVNLKJLL-BLLLJJGKSA-N 2 0 354.476 -0.291 20 0 FBADRP O=S(=O)(NC1CC[NH2+]CC1)c1ccc(N[C@H]2C[NH2+]C[C@H]2CO)cc1 ZINC001170789429 839737184 /nfs/dbraw/zinc/73/71/84/839737184.db2.gz OBHAGUOVNLKJLL-LRDDRELGSA-N 2 0 354.476 -0.291 20 0 FBADRP O=S(=O)(NC1CC[NH2+]CC1)c1ccc(N[C@@H]2C[NH2+]C[C@@H]2CO)cc1 ZINC001170789430 839736901 /nfs/dbraw/zinc/73/69/01/839736901.db2.gz OBHAGUOVNLKJLL-MLGOLLRUSA-N 2 0 354.476 -0.291 20 0 FBADRP O=S(=O)(NC1CC[NH2+]CC1)c1ccc(N[C@H]2C[NH2+]C[C@@H]2CO)cc1 ZINC001170789431 839736653 /nfs/dbraw/zinc/73/66/53/839736653.db2.gz OBHAGUOVNLKJLL-WBMJQRKESA-N 2 0 354.476 -0.291 20 0 FBADRP [NH3+]CCC[C@H]([NH3+])Nc1ccc(F)c(S(=O)(=O)NCc2cn[nH]n2)c1 ZINC001170906646 839754267 /nfs/dbraw/zinc/75/42/67/839754267.db2.gz XIGFPLJHLDOTQO-CYBMUJFWSA-N 2 0 357.415 -0.142 20 0 FBADRP [NH3+]CCC[C@@H]([NH3+])Nc1ccc(F)c(S(=O)(=O)NCc2cn[nH]n2)c1 ZINC001170906652 839754236 /nfs/dbraw/zinc/75/42/36/839754236.db2.gz XIGFPLJHLDOTQO-ZDUSSCGKSA-N 2 0 357.415 -0.142 20 0 FBADRP C[C@@H](CCCC[NH2+]Cc1nnnn1C)NC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001171487630 840256461 /nfs/dbraw/zinc/25/64/61/840256461.db2.gz WYTGSZHAPRMFIV-BFHYXJOUSA-N 2 0 353.471 -0.306 20 0 FBADRP C[C@H](CCCC[NH2+]Cc1nnnn1C)NC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001171487631 840256635 /nfs/dbraw/zinc/25/66/35/840256635.db2.gz WYTGSZHAPRMFIV-MGPQQGTHSA-N 2 0 353.471 -0.306 20 0 FBADRP C[C@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001171499779 840256259 /nfs/dbraw/zinc/25/62/59/840256259.db2.gz IGOFRSQWZBTQIS-JHJVBQTASA-N 2 0 357.455 -0.835 20 0 FBADRP C[C@@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001171499780 840256386 /nfs/dbraw/zinc/25/63/86/840256386.db2.gz IGOFRSQWZBTQIS-YNEHKIRRSA-N 2 0 357.455 -0.835 20 0 FBADRP CCN1CC[C@H]([NH2+]CCOCCOCCOCCOCC[NH3+])CC1=O ZINC001172032421 840263494 /nfs/dbraw/zinc/26/34/94/840263494.db2.gz OOMHOANGAZHCRM-INIZCTEOSA-N 2 0 361.483 -0.388 20 0 FBADRP CCN1CC[C@@H]([NH2+]CCOCCOCCOCCOCC[NH3+])CC1=O ZINC001172032425 840263705 /nfs/dbraw/zinc/26/37/05/840263705.db2.gz OOMHOANGAZHCRM-MRXNPFEDSA-N 2 0 361.483 -0.388 20 0 FBADRP COCCC[NH+]1CCC([NH2+]CCN2CCN(S(C)(=O)=O)CC2)CC1 ZINC001172247215 840264481 /nfs/dbraw/zinc/26/44/81/840264481.db2.gz KCONYWLRXCKKJB-UHFFFAOYSA-N 2 0 362.540 -0.346 20 0 FBADRP CC(C)(C)OC(=O)CN1CCC([NH2+]CCN(CC[NH3+])N(O)N=O)CC1 ZINC001172886147 840266618 /nfs/dbraw/zinc/26/66/18/840266618.db2.gz DFLSVAQAFZWCKX-UHFFFAOYSA-N 2 0 360.459 -0.070 20 0 FBADRP [NH3+]CCN(CCNC(=O)[C@@H]1CCCN(c2ccccn2)C1)N(O)N=O ZINC001176973114 840307335 /nfs/dbraw/zinc/30/73/35/840307335.db2.gz CDBLNPIGHIWGEF-CYBMUJFWSA-N 2 0 351.411 -0.038 20 0 FBADRP [NH3+]CCN(CCNC(=O)[C@H]1CCCN(c2ccccn2)C1)N(O)N=O ZINC001176973115 840306659 /nfs/dbraw/zinc/30/66/59/840306659.db2.gz CDBLNPIGHIWGEF-ZDUSSCGKSA-N 2 0 351.411 -0.038 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]CCN(C)S(C)(=O)=O)[C@@H]2C)CC[N@@H+]1C ZINC001178730822 840341107 /nfs/dbraw/zinc/34/11/07/840341107.db2.gz FGIAXBHYOBUWDU-BARDWOONSA-N 2 0 360.524 -0.203 20 0 FBADRP CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H]1C ZINC001178731020 840341943 /nfs/dbraw/zinc/34/19/43/840341943.db2.gz KYLBGTGQQMKRGN-RQJABVFESA-N 2 0 353.467 -0.249 20 0 FBADRP CCS(=O)(=O)NCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H]1C ZINC001178731578 840341161 /nfs/dbraw/zinc/34/11/61/840341161.db2.gz YEILBFDYAAVPDH-BARDWOONSA-N 2 0 360.524 -0.155 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CCNS(C)(=O)=O)[C@@H]2C)CC[N@@H+]1C ZINC001178735845 840341444 /nfs/dbraw/zinc/34/14/44/840341444.db2.gz FSAYQNFROSADBQ-ZQDZILKHSA-N 2 0 360.524 -0.155 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CC(=O)NC(=O)NC)[C@@H]2C)CC[N@@H+]1C ZINC001178736254 840340772 /nfs/dbraw/zinc/34/07/72/840340772.db2.gz RDUGOURDXMLHMT-XDQVBPFNSA-N 2 0 353.467 -0.249 20 0 FBADRP C[C@@H]1CN(C)C[C@H](C(=O)NCCCCCC[NH2+]Cc2nnnn2C)O1 ZINC001178811380 840344262 /nfs/dbraw/zinc/34/42/62/840344262.db2.gz TVIWPHBIHOEEBI-ZIAGYGMSSA-N 2 0 353.471 -0.305 20 0 FBADRP C[C@@H]1CN(C)C[C@H](C(=O)NCCCCCC[NH2+]CC(=O)NC(N)=O)O1 ZINC001178811383 840345260 /nfs/dbraw/zinc/34/52/60/840345260.db2.gz UAMGSRUZJHAYED-CHWSQXEVSA-N 2 0 357.455 -0.833 20 0 FBADRP CC(=O)N1CCC([NH+]2CCC(C(=O)N(CC[NH3+])S(C)(=O)=O)CC2)CC1 ZINC001179007884 840351019 /nfs/dbraw/zinc/35/10/19/840351019.db2.gz NSHXTFYJOPRBBQ-UHFFFAOYSA-N 2 0 374.507 -0.544 20 0 FBADRP CC(=O)N1CCN(CC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CC1 ZINC001179030358 840352376 /nfs/dbraw/zinc/35/23/76/840352376.db2.gz LDZQYFIFERRYSZ-UHFFFAOYSA-N 2 0 355.527 -0.118 20 0 FBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CCO)[C@@H](O)OC(C)(C)C)C1 ZINC001179578063 840361027 /nfs/dbraw/zinc/36/10/27/840361027.db2.gz NNHQKTTVHREBDA-IICXDKKESA-N 2 0 361.483 -0.336 20 0 FBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CCO)[C@@H](O)OC(C)(C)C)C1 ZINC001179578064 840360266 /nfs/dbraw/zinc/36/02/66/840360266.db2.gz NNHQKTTVHREBDA-RDUHTLEXSA-N 2 0 361.483 -0.336 20 0 FBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CCO)[C@H](O)OC(C)(C)C)C1 ZINC001179578065 840360993 /nfs/dbraw/zinc/36/09/93/840360993.db2.gz NNHQKTTVHREBDA-UNPMEBSKSA-N 2 0 361.483 -0.336 20 0 FBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CCO)[C@H](O)OC(C)(C)C)C1 ZINC001179578066 840360495 /nfs/dbraw/zinc/36/04/95/840360495.db2.gz NNHQKTTVHREBDA-YOPIWALVSA-N 2 0 361.483 -0.336 20 0 FBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)CCC(=O)N1CCNC(=O)CC1 ZINC001180274021 840376427 /nfs/dbraw/zinc/37/64/27/840376427.db2.gz UGTDIUJEDNOCJZ-UHFFFAOYSA-N 2 0 354.455 -0.821 20 0 FBADRP NC(=O)C1CC[NH+](CCC(=O)N2CC[NH+](C3CCOCC3)CC2)CC1 ZINC001180609340 840387941 /nfs/dbraw/zinc/38/79/41/840387941.db2.gz SMBHKGQEBXOTQN-UHFFFAOYSA-N 2 0 352.479 -0.103 20 0 FBADRP CC(C)(O)CC[NH+]1CCN(C(=O)CC[NH+]2CCC(C(N)=O)CC2)CC1 ZINC001180611010 840387795 /nfs/dbraw/zinc/38/77/95/840387795.db2.gz RIHHOKYNNARGFT-UHFFFAOYSA-N 2 0 354.495 -0.121 20 0 FBADRP NC(=O)C1CC[NH+](CCC(=O)N2CCO[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC001180611039 840387927 /nfs/dbraw/zinc/38/79/27/840387927.db2.gz SJWLORFMBLROHW-INIZCTEOSA-N 2 0 352.479 -0.103 20 0 FBADRP NC(=O)C1CC[NH+](CCC(=O)N2CCO[C@H](C[NH+]3CCCC3)C2)CC1 ZINC001180611040 840388226 /nfs/dbraw/zinc/38/82/26/840388226.db2.gz SJWLORFMBLROHW-MRXNPFEDSA-N 2 0 352.479 -0.103 20 0 FBADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)CC[NH+]2CCC(C(N)=O)CC2)O1 ZINC001180612998 840383296 /nfs/dbraw/zinc/38/32/96/840383296.db2.gz KYOTUWVLJLOHBN-CKEIUWERSA-N 2 0 356.467 -0.585 20 0 FBADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)CC[NH+]2CCC(C(N)=O)CC2)O1 ZINC001180613001 840383963 /nfs/dbraw/zinc/38/39/63/840383963.db2.gz KYOTUWVLJLOHBN-CPUCHLNUSA-N 2 0 356.467 -0.585 20 0 FBADRP C[C@@H](C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C)[NH+](C)C ZINC001180864222 840394420 /nfs/dbraw/zinc/39/44/20/840394420.db2.gz MLCYYPCIYINXFN-HNNXBMFYSA-N 2 0 353.511 -0.367 20 0 FBADRP CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001181044886 840396695 /nfs/dbraw/zinc/39/66/95/840396695.db2.gz DENBQTASDGTGGS-JTQLQIEISA-N 2 0 359.427 -0.096 20 0 FBADRP CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001181044887 840396577 /nfs/dbraw/zinc/39/65/77/840396577.db2.gz DENBQTASDGTGGS-SNVBAGLBSA-N 2 0 359.427 -0.096 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2C[C@@H](C)[C@](C)(C[NH2+]CC(=O)NC(N)=O)C2)CC[N@@H+]1C ZINC001181507422 840405794 /nfs/dbraw/zinc/40/57/94/840405794.db2.gz BGJXNZASZNIMDQ-HPTBWKMGSA-N 2 0 353.467 -0.404 20 0 FBADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001182012946 840417290 /nfs/dbraw/zinc/41/72/90/840417290.db2.gz XGSJMEMCLXQZOU-CYBMUJFWSA-N 2 0 368.459 -0.050 20 0 FBADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001182012948 840416947 /nfs/dbraw/zinc/41/69/47/840416947.db2.gz XGSJMEMCLXQZOU-ZDUSSCGKSA-N 2 0 368.459 -0.050 20 0 FBADRP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)C1(O)CC[NH+](C)CC1)CC2 ZINC001182031034 840415908 /nfs/dbraw/zinc/41/59/08/840415908.db2.gz IWHOZOCTRFMIPR-UHFFFAOYSA-N 2 0 352.479 -0.354 20 0 FBADRP C[NH+]1CCC(O)(C(=O)N(Cc2noc3c2C[NH2+]CC3)S(C)(=O)=O)CC1 ZINC001182032030 840415763 /nfs/dbraw/zinc/41/57/63/840415763.db2.gz RGBRQNSYNBQFPW-UHFFFAOYSA-N 2 0 372.447 -0.935 20 0 FBADRP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)C3(O)CC[NH+](C)CC3)CC[C@@H]2C1 ZINC001182032749 840415936 /nfs/dbraw/zinc/41/59/36/840415936.db2.gz UQIQKIACYKZQBK-HZPDHXFCSA-N 2 0 355.479 -0.361 20 0 FBADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@H]1C[C@H](O)C1)CC2 ZINC001182645227 840436277 /nfs/dbraw/zinc/43/62/77/840436277.db2.gz RVXDSZVACRUBBF-SHTZXODSSA-N 2 0 352.479 -0.546 20 0 FBADRP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001182661247 840436264 /nfs/dbraw/zinc/43/62/64/840436264.db2.gz JWHHEAROMPAEEG-INMHGKMJSA-N 2 0 352.479 -0.330 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(=O)NC3CC3)C2)CC[N@@H+]1C ZINC001182676325 840436012 /nfs/dbraw/zinc/43/60/12/840436012.db2.gz HENRSNQBHHHMGE-MRVWCRGKSA-N 2 0 351.451 -0.495 20 0 FBADRP CCS(=O)(=O)NCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001182676335 840435995 /nfs/dbraw/zinc/43/59/95/840435995.db2.gz ICDGSQVVARDHGS-RBSFLKMASA-N 2 0 360.524 -0.154 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]C[C@H](O)CN3CCCC3=O)C2)CC[N@@H+]1C ZINC001182676336 840436344 /nfs/dbraw/zinc/43/63/44/840436344.db2.gz IDVOUHSKGMJVQK-LVQVYYBASA-N 2 0 352.479 -0.500 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC3CCOCC3)C2)CC[N@@H+]1C ZINC001182676349 840436599 /nfs/dbraw/zinc/43/65/99/840436599.db2.gz IXOFQSYDIZNDBC-FVQBIDKESA-N 2 0 352.479 -0.188 20 0 FBADRP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001182676945 840436529 /nfs/dbraw/zinc/43/65/29/840436529.db2.gz SQNYUSIHERUERB-MGPQQGTHSA-N 2 0 353.467 -0.247 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]CCCN3C(=O)CNC3=O)C2)CC[N@@H+]1C ZINC001182683638 840436105 /nfs/dbraw/zinc/43/61/05/840436105.db2.gz CEBOCPDQJAVMGW-MGPQQGTHSA-N 2 0 351.451 -0.541 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]CCCS(=O)(=O)N(C)C)C2)CC[N@@H+]1C ZINC001182684551 840436578 /nfs/dbraw/zinc/43/65/78/840436578.db2.gz QSXYZJDBEKCFHA-RBSFLKMASA-N 2 0 360.524 -0.201 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]CCNS(=O)(=O)CC)C2)CC[N@@H+]1C ZINC001182692105 840436316 /nfs/dbraw/zinc/43/63/16/840436316.db2.gz CMAKSLYYIHXZOE-QLFBSQMISA-N 2 0 360.524 -0.154 20 0 FBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001182692309 840436182 /nfs/dbraw/zinc/43/61/82/840436182.db2.gz HWWYXOPXYCZGCY-HZSPNIEDSA-N 2 0 353.467 -0.247 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]CCN(C)S(C)(=O)=O)C2)CC[N@@H+]1C ZINC001182692456 840435888 /nfs/dbraw/zinc/43/58/88/840435888.db2.gz KLGZZLBPHHWWRX-QLFBSQMISA-N 2 0 360.524 -0.201 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CN1CCCC2(CC2)S1(=O)=O ZINC001182745748 840437623 /nfs/dbraw/zinc/43/76/23/840437623.db2.gz GKGJPCKMOHXCJU-UHFFFAOYSA-N 2 0 360.524 -0.104 20 0 FBADRP C[C@H](NS(=O)(=O)Cc1ccccc1)C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001182975659 840445336 /nfs/dbraw/zinc/44/53/36/840445336.db2.gz BSYIYMVQQWYDMA-LBPRGKRZSA-N 2 0 355.464 -0.045 20 0 FBADRP CN(C)S(=O)(=O)n1ccnc1CN1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001183313849 840453304 /nfs/dbraw/zinc/45/33/04/840453304.db2.gz VHTDLEOPLMDJEC-HUUCEWRRSA-N 2 0 372.539 -0.291 20 0 FBADRP C[NH+](C)[C@H]1C[C@@H](C(=O)N(Cc2noc3c2C[NH2+]CC3)S(C)(=O)=O)C1 ZINC001183372450 840454433 /nfs/dbraw/zinc/45/44/33/840454433.db2.gz BBDMJZLXXMUYFM-PHIMTYICSA-N 2 0 356.448 -0.051 20 0 FBADRP C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC3CCCC3)C2)O1 ZINC001183576006 840458458 /nfs/dbraw/zinc/45/84/58/840458458.db2.gz AACUPUHGYNMKEB-FVQBIDKESA-N 2 0 352.479 -0.045 20 0 FBADRP CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001183576100 840458524 /nfs/dbraw/zinc/45/85/24/840458524.db2.gz BWWIGHAUFKZPLY-RBSFLKMASA-N 2 0 356.467 -0.951 20 0 FBADRP COCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001183576217 840457828 /nfs/dbraw/zinc/45/78/28/840457828.db2.gz GRIRHYXNAIFUCH-RBSFLKMASA-N 2 0 356.467 -0.951 20 0 FBADRP C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)Nc3nncs3)C2)O1 ZINC001183576265 840457928 /nfs/dbraw/zinc/45/79/28/840457928.db2.gz JAQPPJSUPIRBTD-IJLUTSLNSA-N 2 0 368.463 -0.614 20 0 FBADRP CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001183576453 840458415 /nfs/dbraw/zinc/45/84/15/840458415.db2.gz NKUUVDARJYPAHB-FVQBIDKESA-N 2 0 356.467 -0.951 20 0 FBADRP C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC3CCC3)C2)O1 ZINC001183576467 840458562 /nfs/dbraw/zinc/45/85/62/840458562.db2.gz NZYOQSSGQCSSED-FVQBIDKESA-N 2 0 352.479 -0.188 20 0 FBADRP C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)Nc3nccs3)C2)O1 ZINC001183576772 840457955 /nfs/dbraw/zinc/45/79/55/840457955.db2.gz SLLZAKCBWUBWPF-JHJVBQTASA-N 2 0 367.475 -0.009 20 0 FBADRP C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)N(C)CC3CC3)C2)O1 ZINC001183577029 840458027 /nfs/dbraw/zinc/45/80/27/840458027.db2.gz VEVLIGKYJGWQIJ-FVQBIDKESA-N 2 0 352.479 -0.236 20 0 FBADRP C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC(F)(F)F)C2)O1 ZINC001183577032 840458237 /nfs/dbraw/zinc/45/82/37/840458237.db2.gz VHARSKZMNWOFNY-IJLUTSLNSA-N 2 0 366.384 -0.426 20 0 FBADRP CC(C)NC(=O)NCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001183577057 840458212 /nfs/dbraw/zinc/45/82/12/840458212.db2.gz WJTZQDVDTYCSLS-RBSFLKMASA-N 2 0 355.483 -0.396 20 0 FBADRP CCS(=O)(=O)CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001183581914 840457892 /nfs/dbraw/zinc/45/78/92/840457892.db2.gz PAERWTDGBQOHEA-RBSFLKMASA-N 2 0 361.508 -0.279 20 0 FBADRP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)[C@@H]1C[NH+](C)CCN1C)CC2 ZINC001185250303 840488528 /nfs/dbraw/zinc/48/85/28/840488528.db2.gz FJRMCUARFJUMHW-HNNXBMFYSA-N 2 0 351.495 -0.565 20 0 FBADRP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)[C@H]1C[NH+](C)CCN1C)CC2 ZINC001185250305 840488252 /nfs/dbraw/zinc/48/82/52/840488252.db2.gz FJRMCUARFJUMHW-OAHLLOKOSA-N 2 0 351.495 -0.565 20 0 FBADRP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCN3C)CC[C@@H]2C1 ZINC001185254216 840489922 /nfs/dbraw/zinc/48/99/22/840489922.db2.gz ZMENUBYGGXZYOJ-BRWVUGGUSA-N 2 0 354.495 -0.572 20 0 FBADRP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCN3C)CC[C@@H]2C1 ZINC001185254224 840490113 /nfs/dbraw/zinc/49/01/13/840490113.db2.gz ZMENUBYGGXZYOJ-IXDOHACOSA-N 2 0 354.495 -0.572 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1C(=O)NCC[NH+](C)CCNC(=O)OC(C)(C)C ZINC001185266851 840490775 /nfs/dbraw/zinc/49/07/75/840490775.db2.gz HUEMIWWRRMQVIO-AWEZNQCLSA-N 2 0 357.499 -0.195 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1C(=O)NCC[NH+](C)CCNC(=O)OC(C)(C)C ZINC001185266852 840489791 /nfs/dbraw/zinc/48/97/91/840489791.db2.gz HUEMIWWRRMQVIO-CQSZACIVSA-N 2 0 357.499 -0.195 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1C(=O)n1cc(Br)ccc1=NCC[NH3+] ZINC001185266909 840490295 /nfs/dbraw/zinc/49/02/95/840490295.db2.gz JDBJMYLJHUIMOH-GFCCVEGCSA-N 2 0 356.268 -0.004 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1C(=O)n1cc(Br)ccc1=NCC[NH3+] ZINC001185266910 840490658 /nfs/dbraw/zinc/49/06/58/840490658.db2.gz JDBJMYLJHUIMOH-LBPRGKRZSA-N 2 0 356.268 -0.004 20 0 FBADRP CN(C)C(=O)C[NH+]1CCC2(CCCN2C(=O)C[N@@H+]2CC[C@H](O)C2)CC1 ZINC001186038921 840513709 /nfs/dbraw/zinc/51/37/09/840513709.db2.gz SZTSWQSBBAEKTN-HNNXBMFYSA-N 2 0 352.479 -0.402 20 0 FBADRP CN(C)C(=O)C[NH+]1CCC2(CCCN2C(=O)C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC001186038922 840513673 /nfs/dbraw/zinc/51/36/73/840513673.db2.gz SZTSWQSBBAEKTN-OAHLLOKOSA-N 2 0 352.479 -0.402 20 0 FBADRP COC(=O)[C@H]1CC[N@H+](CC(=O)N2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)C1 ZINC001186106506 840515444 /nfs/dbraw/zinc/51/54/44/840515444.db2.gz PAUJZRYONMISJW-HRCADAONSA-N 2 0 352.479 -0.282 20 0 FBADRP CCOC(=O)CC1([NH3+])CCN(C(=O)C[N@@H+]2CC[C@H](C(=O)OC)C2)CC1 ZINC001186118911 840515840 /nfs/dbraw/zinc/51/58/40/840515840.db2.gz KTPXHLXQURPMIA-ZDUSSCGKSA-N 2 0 355.435 -0.246 20 0 FBADRP C[N@@H+]1CCC[C@H](C(=O)N(Cc2noc3c2C[NH2+]CC3)S(C)(=O)=O)C1 ZINC001186353624 840518202 /nfs/dbraw/zinc/51/82/02/840518202.db2.gz LGLPKEHFYFCFAU-NSHDSACASA-N 2 0 356.448 -0.050 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2C[C@H](C[NH2+]CC(N)=O)C3(C2)CCOCC3)CC[N@@H+]1C ZINC001186372518 840518794 /nfs/dbraw/zinc/51/87/94/840518794.db2.gz ANZCAASQUCSCGA-QLFBSQMISA-N 2 0 352.479 -0.343 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2C[C@@H](C[NH2+]CC(N)=O)C3(C2)CCOCC3)CC[N@@H+]1C ZINC001186372519 840518827 /nfs/dbraw/zinc/51/88/27/840518827.db2.gz ANZCAASQUCSCGA-RBSFLKMASA-N 2 0 352.479 -0.343 20 0 FBADRP CC(=O)NCCOCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001187305288 840559330 /nfs/dbraw/zinc/55/93/30/840559330.db2.gz UOERFWWUUQOUPE-GVDBMIGSSA-N 2 0 352.479 -0.234 20 0 FBADRP CC(=O)NCCOCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001187305289 840558717 /nfs/dbraw/zinc/55/87/17/840558717.db2.gz UOERFWWUUQOUPE-YESZJQIVSA-N 2 0 352.479 -0.234 20 0 FBADRP CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001187311990 840559661 /nfs/dbraw/zinc/55/96/61/840559661.db2.gz CJELDXWFQNNVRQ-GFCCVEGCSA-N 2 0 356.471 -0.002 20 0 FBADRP CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001187311991 840559624 /nfs/dbraw/zinc/55/96/24/840559624.db2.gz CJELDXWFQNNVRQ-LBPRGKRZSA-N 2 0 356.471 -0.002 20 0 FBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001187518395 840567912 /nfs/dbraw/zinc/56/79/12/840567912.db2.gz WLKNLCRXYQTIJI-AWEZNQCLSA-N 2 0 355.483 -0.887 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](CCN(C)S(C)(=O)=O)C[C@H]32)CC[N@@H+]1C ZINC001187958012 840596385 /nfs/dbraw/zinc/59/63/85/840596385.db2.gz DSHZWOBHZKHZKG-QKPAOTATSA-N 2 0 372.535 -0.249 20 0 FBADRP C[NH+]1CCN(Cc2ccccc2C(=O)N(CC[NH3+])S(C)(=O)=O)CC1 ZINC001188330137 840618042 /nfs/dbraw/zinc/61/80/42/840618042.db2.gz CSEPUVSHFMTGDB-UHFFFAOYSA-N 2 0 354.476 -0.206 20 0 FBADRP CCNC(=O)NC(=O)CN1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188979547 840658380 /nfs/dbraw/zinc/65/83/80/840658380.db2.gz QDAXKKRCQXVBTD-UONOGXRCSA-N 2 0 353.467 -0.293 20 0 FBADRP CN(CC[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1)S(C)(=O)=O ZINC001188979789 840658479 /nfs/dbraw/zinc/65/84/79/840658479.db2.gz TVFDRKVLHVFYNE-LSDHHAIUSA-N 2 0 360.524 -0.248 20 0 FBADRP C[NH+](C)CCCC(=O)N1CC[C@H]2CN(CC(=O)N3CCOCC3)C[C@H]21 ZINC001188979851 840658859 /nfs/dbraw/zinc/65/88/59/840658859.db2.gz WJERUUGOAIRZAM-JKSUJKDBSA-N 2 0 352.479 -0.280 20 0 FBADRP COCCOC[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188985478 840655113 /nfs/dbraw/zinc/65/51/13/840655113.db2.gz GUUVKEYLHRXUFN-GVDBMIGSSA-N 2 0 357.495 -0.115 20 0 FBADRP COCCOC[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188985479 840655235 /nfs/dbraw/zinc/65/52/35/840655235.db2.gz GUUVKEYLHRXUFN-YESZJQIVSA-N 2 0 357.495 -0.115 20 0 FBADRP C[NH+](C)CCCC(=O)N1CC[C@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001188985925 840655822 /nfs/dbraw/zinc/65/58/22/840655822.db2.gz WYONJMCSMPACSD-UONOGXRCSA-N 2 0 351.451 -0.587 20 0 FBADRP CCNC(=O)NC(=O)[C@@H](C)N1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189034165 840659118 /nfs/dbraw/zinc/65/91/18/840659118.db2.gz BJKZYXJQZAMSCY-HZSPNIEDSA-N 2 0 353.467 -0.295 20 0 FBADRP CCNC(=O)NC(=O)[C@H](C)N1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189034166 840658393 /nfs/dbraw/zinc/65/83/93/840658393.db2.gz BJKZYXJQZAMSCY-MELADBBJSA-N 2 0 353.467 -0.295 20 0 FBADRP C[NH+](C)CCC(=O)N1CC[C@H]2CN(CC(=O)NC3CCOCC3)C[C@H]21 ZINC001189034259 840658706 /nfs/dbraw/zinc/65/87/06/840658706.db2.gz DSVMPGYVENRGIN-GOEBONIOSA-N 2 0 352.479 -0.234 20 0 FBADRP CCCNC(=O)NC(=O)CN1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189034265 840658327 /nfs/dbraw/zinc/65/83/27/840658327.db2.gz FCHBAVSGHIWISI-UONOGXRCSA-N 2 0 353.467 -0.293 20 0 FBADRP C[NH+](C)CCC(=O)N1CC[C@H]2CN(CC(=O)NC(=O)NC3CC3)C[C@H]21 ZINC001189040934 840660154 /nfs/dbraw/zinc/66/01/54/840660154.db2.gz KCVPZLPKJWFMGY-GXTWGEPZSA-N 2 0 351.451 -0.541 20 0 FBADRP C[NH+](C)CCC(=O)N1CC[C@H]2CN(CC(=O)NC[C@H]3CCCO3)C[C@H]21 ZINC001189041257 840659539 /nfs/dbraw/zinc/65/95/39/840659539.db2.gz QUFVDMZRVMGMPE-ARFHVFGLSA-N 2 0 352.479 -0.234 20 0 FBADRP C[NH+](C)CCC(=O)N1CC[C@H]2CN(CC(=O)NC[C@@H]3CCCO3)C[C@H]21 ZINC001189041258 840660229 /nfs/dbraw/zinc/66/02/29/840660229.db2.gz QUFVDMZRVMGMPE-HRCADAONSA-N 2 0 352.479 -0.234 20 0 FBADRP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CCCN3C(=O)CNC3=O)C[C@H]21 ZINC001189054316 840659715 /nfs/dbraw/zinc/65/97/15/840659715.db2.gz CMJWKCXPPFMKCV-UONOGXRCSA-N 2 0 351.451 -0.587 20 0 FBADRP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CCN3CCCS3(=O)=O)C[C@H]21 ZINC001189054653 840659928 /nfs/dbraw/zinc/65/99/28/840659928.db2.gz JFMHKSCWWQOYID-LSDHHAIUSA-N 2 0 358.508 -0.494 20 0 FBADRP CN(C)S(=O)(=O)CCC[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189054853 840659813 /nfs/dbraw/zinc/65/98/13/840659813.db2.gz KGEVDBPTBWXGHR-LSDHHAIUSA-N 2 0 360.524 -0.248 20 0 FBADRP CCS(=O)(=O)NCCC[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189055021 840659793 /nfs/dbraw/zinc/65/97/93/840659793.db2.gz MSEDOMILAXDYLG-LSDHHAIUSA-N 2 0 360.524 -0.200 20 0 FBADRP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](C[C@H](O)CN3CCCC3=O)C[C@H]21 ZINC001189055049 840660275 /nfs/dbraw/zinc/66/02/75/840660275.db2.gz NLYZKYSZBIHMAL-HRCADAONSA-N 2 0 352.479 -0.546 20 0 FBADRP Cn1c(=O)cc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)n(C)c1=O ZINC001189429473 840681821 /nfs/dbraw/zinc/68/18/21/840681821.db2.gz SRKNLKHSAAGMID-UHFFFAOYSA-N 2 0 353.467 -0.570 20 0 FBADRP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001189476904 840682963 /nfs/dbraw/zinc/68/29/63/840682963.db2.gz AJNKAMJCALZTOZ-UONOGXRCSA-N 2 0 351.451 -0.587 20 0 FBADRP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@H+](C[C@@H](O)COCCOC)C[C@H]21 ZINC001189477079 840683432 /nfs/dbraw/zinc/68/34/32/840683432.db2.gz CNKBCICDSNDCPX-GVDBMIGSSA-N 2 0 357.495 -0.115 20 0 FBADRP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@H+](C[C@H](O)COCCOC)C[C@H]21 ZINC001189477090 840683339 /nfs/dbraw/zinc/68/33/39/840683339.db2.gz CNKBCICDSNDCPX-YESZJQIVSA-N 2 0 357.495 -0.115 20 0 FBADRP C[NH+]1CCC(OCC(=O)N2CC[C@H]3C[N@H+](CCOCCO)C[C@H]32)CC1 ZINC001189543302 840686044 /nfs/dbraw/zinc/68/60/44/840686044.db2.gz FBKIPDQWCMGQTL-DOTOQJQBSA-N 2 0 355.479 -0.361 20 0 FBADRP COC[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189545001 840686659 /nfs/dbraw/zinc/68/66/59/840686659.db2.gz XDUBIUPXRXRPBF-YQQAZPJKSA-N 2 0 355.479 -0.363 20 0 FBADRP COC[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189545005 840685773 /nfs/dbraw/zinc/68/57/73/840685773.db2.gz XDUBIUPXRXRPBF-ZMSDIMECSA-N 2 0 355.479 -0.363 20 0 FBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]2CN(CC(=O)N3CCOCC3)C[C@H]21 ZINC001189659822 840694221 /nfs/dbraw/zinc/69/42/21/840694221.db2.gz IKQFAWXDVIZFFX-JKSUJKDBSA-N 2 0 352.479 -0.280 20 0 FBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CCN(C)S(C)(=O)=O)C[C@H]21 ZINC001189660133 840694123 /nfs/dbraw/zinc/69/41/23/840694123.db2.gz OYLHWAPEEDOMAM-LSDHHAIUSA-N 2 0 360.524 -0.248 20 0 FBADRP CCNC(=O)NC(=O)CN1C[C@@H]2CCN(C(=O)CC[N@H+](C)CC)[C@@H]2C1 ZINC001189660451 840694668 /nfs/dbraw/zinc/69/46/68/840694668.db2.gz QCSUNXUGONVMST-UONOGXRCSA-N 2 0 353.467 -0.293 20 0 FBADRP CN1CCC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)COCC[NH+](C)C)[C@@H]3C2)C1=O ZINC001189802468 840701300 /nfs/dbraw/zinc/70/13/00/840701300.db2.gz ZUQNKTAMCGYFJZ-ARFHVFGLSA-N 2 0 352.479 -0.282 20 0 FBADRP CN1CCC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)COCC[NH+](C)C)[C@@H]3C2)C1=O ZINC001189802470 840701414 /nfs/dbraw/zinc/70/14/14/840701414.db2.gz ZUQNKTAMCGYFJZ-HRCADAONSA-N 2 0 352.479 -0.282 20 0 FBADRP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001189810614 840699747 /nfs/dbraw/zinc/69/97/47/840699747.db2.gz CPTQRWPPIPMSGG-JKSUJKDBSA-N 2 0 352.479 -0.377 20 0 FBADRP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@H+](CCN3CCNC3=O)C[C@H]21 ZINC001189810874 840699500 /nfs/dbraw/zinc/69/95/00/840699500.db2.gz KWACFGHGUVGFOB-LSDHHAIUSA-N 2 0 353.467 -0.878 20 0 FBADRP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@H+](CCN3CCCC3=O)C[C@H]21 ZINC001189810935 840700046 /nfs/dbraw/zinc/70/00/46/840700046.db2.gz NTMCSAYSRSMTIQ-JKSUJKDBSA-N 2 0 352.479 -0.280 20 0 FBADRP CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)COCC[NH+](C)C)[C@@H]3C2)C1=O ZINC001189811004 840699763 /nfs/dbraw/zinc/69/97/63/840699763.db2.gz QQWRZGPKSOLJGJ-ARFHVFGLSA-N 2 0 352.479 -0.282 20 0 FBADRP CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)COCC[NH+](C)C)[C@@H]3C2)C1=O ZINC001189811005 840699710 /nfs/dbraw/zinc/69/97/10/840699710.db2.gz QQWRZGPKSOLJGJ-HRCADAONSA-N 2 0 352.479 -0.282 20 0 FBADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]2CN(CC(=O)NC(=O)NC)C[C@H]21 ZINC001189891537 840705129 /nfs/dbraw/zinc/70/51/29/840705129.db2.gz RNSRJXWMPLGWMI-UONOGXRCSA-N 2 0 353.467 -0.293 20 0 FBADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]2CN(Cc3nc(=O)n(C)[nH]3)C[C@H]21 ZINC001189892026 840704609 /nfs/dbraw/zinc/70/46/09/840704609.db2.gz VZFKUDLGRUIZMW-UONOGXRCSA-N 2 0 350.467 -0.127 20 0 FBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]2CN(CC(=O)NC(=O)NCC)C[C@H]21 ZINC001189898278 840704540 /nfs/dbraw/zinc/70/45/40/840704540.db2.gz JLDJJPDBCFVAIT-UONOGXRCSA-N 2 0 353.467 -0.293 20 0 FBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]2CN(CCN(C)S(C)(=O)=O)C[C@H]21 ZINC001189898299 840704749 /nfs/dbraw/zinc/70/47/49/840704749.db2.gz KDUCCTIOQWSNHK-LSDHHAIUSA-N 2 0 360.524 -0.248 20 0 FBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]2CN(CC(=O)N3CCOCC3)C[C@H]21 ZINC001189899170 840704950 /nfs/dbraw/zinc/70/49/50/840704950.db2.gz ZTZUQXISLKXCHM-JKSUJKDBSA-N 2 0 352.479 -0.280 20 0 FBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](C[C@@H](O)COCCOC)C[C@H]21 ZINC001189907039 840703174 /nfs/dbraw/zinc/70/31/74/840703174.db2.gz QYITZBWHWFBYGL-GVDBMIGSSA-N 2 0 357.495 -0.115 20 0 FBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](C[C@H](O)COCCOC)C[C@H]21 ZINC001189907040 840703501 /nfs/dbraw/zinc/70/35/01/840703501.db2.gz QYITZBWHWFBYGL-YESZJQIVSA-N 2 0 357.495 -0.115 20 0 FBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001189912836 840703562 /nfs/dbraw/zinc/70/35/62/840703562.db2.gz HSOXNRKAZCIYGU-UONOGXRCSA-N 2 0 351.451 -0.587 20 0 FBADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]2CN(CCNS(C)(=O)=O)C[C@H]21 ZINC001189912894 840703246 /nfs/dbraw/zinc/70/32/46/840703246.db2.gz JSVRGVVQBAVBHA-LSDHHAIUSA-N 2 0 360.524 -0.200 20 0 FBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]2CN(CCNS(=O)(=O)CC)C[C@H]21 ZINC001189913451 840704057 /nfs/dbraw/zinc/70/40/57/840704057.db2.gz RCRVGGVOUFGEJL-LSDHHAIUSA-N 2 0 360.524 -0.200 20 0 FBADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]2CN([C@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001189913485 840703786 /nfs/dbraw/zinc/70/37/86/840703786.db2.gz SANRTPYQYLTXIR-HZSPNIEDSA-N 2 0 353.467 -0.166 20 0 FBADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]2CN([C@@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001189913487 840703630 /nfs/dbraw/zinc/70/36/30/840703630.db2.gz SANRTPYQYLTXIR-MELADBBJSA-N 2 0 353.467 -0.166 20 0 FBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]2CN([C@H](C)C(=O)NC(=O)NC)C[C@H]21 ZINC001189922681 840703343 /nfs/dbraw/zinc/70/33/43/840703343.db2.gz BMSPMANYJRJIFU-HZSPNIEDSA-N 2 0 353.467 -0.295 20 0 FBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]2CN([C@@H](C)C(=O)NC(=O)NC)C[C@H]21 ZINC001189922683 840703707 /nfs/dbraw/zinc/70/37/07/840703707.db2.gz BMSPMANYJRJIFU-MELADBBJSA-N 2 0 353.467 -0.295 20 0 FBADRP CC(=O)NCCOCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001190149233 840715933 /nfs/dbraw/zinc/71/59/33/840715933.db2.gz VGTROCHYAQULDA-GVDBMIGSSA-N 2 0 352.479 -0.377 20 0 FBADRP CC(=O)NCCOCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001190149234 840715691 /nfs/dbraw/zinc/71/56/91/840715691.db2.gz VGTROCHYAQULDA-YESZJQIVSA-N 2 0 352.479 -0.377 20 0 FBADRP CN(CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1)S(C)(=O)=O ZINC001190149418 840715057 /nfs/dbraw/zinc/71/50/57/840715057.db2.gz YTRJAWQKVRVQNC-RRFJBIMHSA-N 2 0 358.508 -0.638 20 0 FBADRP CN(CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1)S(C)(=O)=O ZINC001190149422 840715645 /nfs/dbraw/zinc/71/56/45/840715645.db2.gz YTRJAWQKVRVQNC-SOUVJXGZSA-N 2 0 358.508 -0.638 20 0 FBADRP COCCOC[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001190168821 840718765 /nfs/dbraw/zinc/71/87/65/840718765.db2.gz UYIHQBXIWUIQBY-GVDBMIGSSA-N 2 0 355.479 -0.361 20 0 FBADRP COCCOC[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001190168824 840718641 /nfs/dbraw/zinc/71/86/41/840718641.db2.gz UYIHQBXIWUIQBY-YESZJQIVSA-N 2 0 355.479 -0.361 20 0 FBADRP CC(=O)NCCOCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001190168847 840718714 /nfs/dbraw/zinc/71/87/14/840718714.db2.gz VDLYORNMTXTNGE-DLBZAZTESA-N 2 0 352.479 -0.232 20 0 FBADRP CCNC(=O)NC(=O)CN(C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001190237442 840728557 /nfs/dbraw/zinc/72/85/57/840728557.db2.gz CDRGTLRSAZZRSL-HZSPNIEDSA-N 2 0 353.467 -0.295 20 0 FBADRP CCNC(=O)NC(=O)CN(C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001190237444 840728875 /nfs/dbraw/zinc/72/88/75/840728875.db2.gz CDRGTLRSAZZRSL-MGPQQGTHSA-N 2 0 353.467 -0.295 20 0 FBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001190370992 840732989 /nfs/dbraw/zinc/73/29/89/840732989.db2.gz NBCKHDUXPFDZJE-UONOGXRCSA-N 2 0 351.451 -0.589 20 0 FBADRP CNC(=O)NC(=O)[C@@H](C)N1C[C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C1 ZINC001190371135 840732383 /nfs/dbraw/zinc/73/23/83/840732383.db2.gz OJVWSXBJEZDPFX-HZSPNIEDSA-N 2 0 353.467 -0.297 20 0 FBADRP CNC(=O)NC(=O)[C@H](C)N1C[C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C1 ZINC001190371138 840732450 /nfs/dbraw/zinc/73/24/50/840732450.db2.gz OJVWSXBJEZDPFX-MELADBBJSA-N 2 0 353.467 -0.297 20 0 FBADRP COCCOC[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001190371398 840734124 /nfs/dbraw/zinc/73/41/24/840734124.db2.gz TZVJACKWGKJDOV-GVDBMIGSSA-N 2 0 357.495 -0.117 20 0 FBADRP COCCOC[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001190371399 840733893 /nfs/dbraw/zinc/73/38/93/840733893.db2.gz TZVJACKWGKJDOV-YESZJQIVSA-N 2 0 357.495 -0.117 20 0 FBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CCNC(=O)NC(C)(C)C)C[C@H]1O ZINC001191784404 840864338 /nfs/dbraw/zinc/86/43/38/840864338.db2.gz CUGBBCKPRXMYAA-HZSPNIEDSA-N 2 0 355.483 -0.660 20 0 FBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(CCNC(=O)NC(C)(C)C)C[C@H]1O ZINC001191784425 840863808 /nfs/dbraw/zinc/86/38/08/840863808.db2.gz CUGBBCKPRXMYAA-MGPQQGTHSA-N 2 0 355.483 -0.660 20 0 FBADRP CC(C)N(C)C(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001193015530 840992087 /nfs/dbraw/zinc/99/20/87/840992087.db2.gz HJFJRJZFZPGVOR-ARFHVFGLSA-N 2 0 352.479 -0.644 20 0 FBADRP CC(C)N(C)C(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001193015531 840992267 /nfs/dbraw/zinc/99/22/67/840992267.db2.gz HJFJRJZFZPGVOR-BZUAXINKSA-N 2 0 352.479 -0.644 20 0 FBADRP CCN(CC)C(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001193015905 840991993 /nfs/dbraw/zinc/99/19/93/840991993.db2.gz NYVLVEDKHHNXCN-ARFHVFGLSA-N 2 0 352.479 -0.642 20 0 FBADRP CCN(CC)C(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001193015906 840991746 /nfs/dbraw/zinc/99/17/46/840991746.db2.gz NYVLVEDKHHNXCN-BZUAXINKSA-N 2 0 352.479 -0.642 20 0 FBADRP CC(C)(C)NC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001193016145 840992295 /nfs/dbraw/zinc/99/22/95/840992295.db2.gz SCEZUDBQJHPPTD-RBSFLKMASA-N 2 0 352.479 -0.596 20 0 FBADRP CC(C)(C)NC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001193016146 840991513 /nfs/dbraw/zinc/99/15/13/840991513.db2.gz SCEZUDBQJHPPTD-RRFJBIMHSA-N 2 0 352.479 -0.596 20 0 FBADRP C[C@@H](O)CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001193066067 840993138 /nfs/dbraw/zinc/99/31/38/840993138.db2.gz AQJLCZMHGLKWJK-FVQBIDKESA-N 2 0 353.467 -0.619 20 0 FBADRP C[C@H](O)CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001193066068 840993714 /nfs/dbraw/zinc/99/37/14/840993714.db2.gz AQJLCZMHGLKWJK-NUEKZKHPSA-N 2 0 353.467 -0.619 20 0 FBADRP COCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001193068409 840994439 /nfs/dbraw/zinc/99/44/39/840994439.db2.gz SELGXVKXLJGKBY-HZPDHXFCSA-N 2 0 353.467 -0.354 20 0 FBADRP CCOCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001193068486 840994843 /nfs/dbraw/zinc/99/48/43/840994843.db2.gz USNFFLJRKLSYLU-HZPDHXFCSA-N 2 0 353.467 -0.354 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(CC(=O)NC(C)(C)C)C[C@H]2O)CC[N@@H+]1C ZINC001193084899 840995813 /nfs/dbraw/zinc/99/58/13/840995813.db2.gz DSWUSWARFWWMSF-GBJTYRQASA-N 2 0 354.495 -0.207 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(CC(=O)N(CC)CC)C[C@H]2O)CC[N@@H+]1C ZINC001193084994 840995964 /nfs/dbraw/zinc/99/59/64/840995964.db2.gz GFGTWKYFNPURNN-ZJIFWQFVSA-N 2 0 354.495 -0.254 20 0 FBADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CN(CC(=O)N(C)CC3CC3)C[C@H]2O)CC[N@@H+]1C ZINC001193085266 840996075 /nfs/dbraw/zinc/99/60/75/840996075.db2.gz GZLNHKNZDHCMRK-DTZQCDIJSA-N 2 0 352.479 -0.644 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(CCNC(=O)C3CC3)C[C@H]2O)CC[N@@H+]1C ZINC001193085790 840996147 /nfs/dbraw/zinc/99/61/47/840996147.db2.gz PCTUNMVCAMCJIG-ZJIFWQFVSA-N 2 0 352.479 -0.596 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(CC(=O)N(C)C(C)C)C[C@H]2O)CC[N@@H+]1C ZINC001193086133 840995684 /nfs/dbraw/zinc/99/56/84/840995684.db2.gz UTCMLXOXJJGYIR-ZJIFWQFVSA-N 2 0 354.495 -0.255 20 0 FBADRP COCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001193738497 841069180 /nfs/dbraw/zinc/06/91/80/841069180.db2.gz WVXIWVYYXBSEJI-BRWVUGGUSA-N 2 0 355.479 -0.172 20 0 FBADRP COCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001193738498 841069953 /nfs/dbraw/zinc/06/99/53/841069953.db2.gz WVXIWVYYXBSEJI-IXDOHACOSA-N 2 0 355.479 -0.172 20 0 FBADRP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCNC(=O)CC3)C[C@H]2O)CCC1 ZINC001193765573 841080333 /nfs/dbraw/zinc/08/03/33/841080333.db2.gz CKFJBGGCEBVCLL-RBSFLKMASA-N 2 0 352.479 -0.452 20 0 FBADRP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]2O)CCC1 ZINC001193765574 841079332 /nfs/dbraw/zinc/07/93/32/841079332.db2.gz CKFJBGGCEBVCLL-RRFJBIMHSA-N 2 0 352.479 -0.452 20 0 FBADRP CC(C)COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193774053 841074336 /nfs/dbraw/zinc/07/43/36/841074336.db2.gz GMFIHVOWVYEGIY-ARFHVFGLSA-N 2 0 357.495 -0.335 20 0 FBADRP CC(C)COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193774056 841073971 /nfs/dbraw/zinc/07/39/71/841073971.db2.gz GMFIHVOWVYEGIY-BZUAXINKSA-N 2 0 357.495 -0.335 20 0 FBADRP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+](CCCO[C@H]3CCOC3)C[C@H]2O)CCC1 ZINC001193774107 841074039 /nfs/dbraw/zinc/07/40/39/841074039.db2.gz HRMSWDLFYBTWLS-ARFHVFGLSA-N 2 0 355.479 -0.172 20 0 FBADRP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+](CCCO[C@@H]3CCOC3)C[C@H]2O)CCC1 ZINC001193774109 841074070 /nfs/dbraw/zinc/07/40/70/841074070.db2.gz HRMSWDLFYBTWLS-BZUAXINKSA-N 2 0 355.479 -0.172 20 0 FBADRP CC(C)COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193805960 841083537 /nfs/dbraw/zinc/08/35/37/841083537.db2.gz WCLRTGMYBRHWLQ-BRWVUGGUSA-N 2 0 357.495 -0.335 20 0 FBADRP CC(C)COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193805962 841083889 /nfs/dbraw/zinc/08/38/89/841083889.db2.gz WCLRTGMYBRHWLQ-GVDBMIGSSA-N 2 0 357.495 -0.335 20 0 FBADRP C[N@H+](CC(=O)N[C@@H]1C[NH+](C[C@H]2CCNC(=O)CC2)C[C@H]1O)C1CCC1 ZINC001193821414 841086494 /nfs/dbraw/zinc/08/64/94/841086494.db2.gz HJVHIHHHCQQLEF-FVQBIDKESA-N 2 0 352.479 -0.452 20 0 FBADRP C[N@H+](CC(=O)N[C@@H]1C[NH+](C[C@@H]2CCNC(=O)CC2)C[C@H]1O)C1CCC1 ZINC001193821415 841085908 /nfs/dbraw/zinc/08/59/08/841085908.db2.gz HJVHIHHHCQQLEF-NUEKZKHPSA-N 2 0 352.479 -0.452 20 0 FBADRP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCCO[C@@H]2CCOC2)C[C@H]1O)C1CCC1 ZINC001193827696 841087111 /nfs/dbraw/zinc/08/71/11/841087111.db2.gz FJVOCIISEASTKB-BRWVUGGUSA-N 2 0 355.479 -0.172 20 0 FBADRP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCCO[C@H]2CCOC2)C[C@H]1O)C1CCC1 ZINC001193827697 841085508 /nfs/dbraw/zinc/08/55/08/841085508.db2.gz FJVOCIISEASTKB-GVDBMIGSSA-N 2 0 355.479 -0.172 20 0 FBADRP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1O)[NH+](C)C ZINC001193952552 841100286 /nfs/dbraw/zinc/10/02/86/841100286.db2.gz BJHSZNQBJONLJP-INMHGKMJSA-N 2 0 350.463 -0.367 20 0 FBADRP CC[C@H](C(=O)N[C@@H]1CN(CC(=O)N2CCCCCC2)C[C@H]1O)[NH+](C)C ZINC001194087168 841118518 /nfs/dbraw/zinc/11/85/18/841118518.db2.gz ZJTMYPFIPUXUQV-BZUAXINKSA-N 2 0 354.495 -0.110 20 0 FBADRP CC[C@H](C(=O)N[C@@H]1CN(CCNC(=O)NC(C)(C)C)C[C@H]1O)[NH+](C)C ZINC001194094999 841119005 /nfs/dbraw/zinc/11/90/05/841119005.db2.gz BAGOTTWDUJIMEG-MGPQQGTHSA-N 2 0 357.499 -0.414 20 0 FBADRP CC[C@H](C(=O)N[C@@H]1CN(CCn2c(C)csc2=O)C[C@H]1O)[NH+](C)C ZINC001194095641 841118908 /nfs/dbraw/zinc/11/89/08/841118908.db2.gz JPIXPLDJPUFXHG-MGPQQGTHSA-N 2 0 356.492 -0.280 20 0 FBADRP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCCCCn2cncn2)C[C@H]1O)[NH+](C)C ZINC001194095807 841118958 /nfs/dbraw/zinc/11/89/58/841118958.db2.gz RFTYSGDFGQVHKN-BZUAXINKSA-N 2 0 352.483 -0.050 20 0 FBADRP COCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001194102068 841119672 /nfs/dbraw/zinc/11/96/72/841119672.db2.gz AMYHVQDVAYOLDL-HZPDHXFCSA-N 2 0 357.495 -0.067 20 0 FBADRP CCOCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001194102191 841120535 /nfs/dbraw/zinc/12/05/35/841120535.db2.gz DIUQVTYLRZUQKI-HZPDHXFCSA-N 2 0 357.495 -0.067 20 0 FBADRP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1O ZINC001194102741 841120035 /nfs/dbraw/zinc/12/00/35/841120035.db2.gz OPIXJUFFXHTJOG-ARFHVFGLSA-N 2 0 355.479 -0.457 20 0 FBADRP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1O ZINC001194102742 841120192 /nfs/dbraw/zinc/12/01/92/841120192.db2.gz OPIXJUFFXHTJOG-BZUAXINKSA-N 2 0 355.479 -0.457 20 0 FBADRP C[C@H](O)CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001194103069 841120090 /nfs/dbraw/zinc/12/00/90/841120090.db2.gz TZQMWAOECXOIAW-ARFHVFGLSA-N 2 0 357.495 -0.333 20 0 FBADRP C[C@@H](O)CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001194103070 841119692 /nfs/dbraw/zinc/11/96/92/841119692.db2.gz TZQMWAOECXOIAW-BZUAXINKSA-N 2 0 357.495 -0.333 20 0 FBADRP CC[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1)OC ZINC001194103305 841120126 /nfs/dbraw/zinc/12/01/26/841120126.db2.gz XPPSQARMGPYSCH-ARFHVFGLSA-N 2 0 357.495 -0.069 20 0 FBADRP CC[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1)OC ZINC001194103307 841120224 /nfs/dbraw/zinc/12/02/24/841120224.db2.gz XPPSQARMGPYSCH-BZUAXINKSA-N 2 0 357.495 -0.069 20 0 FBADRP CC(C)OCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001194103326 841120314 /nfs/dbraw/zinc/12/03/14/841120314.db2.gz YFTDDCYVRDDHFM-HZPDHXFCSA-N 2 0 357.495 -0.069 20 0 FBADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](Cc2ccn(C)c(=O)c2)C[C@H]1O ZINC001194236254 841135425 /nfs/dbraw/zinc/13/54/25/841135425.db2.gz ZEDGUZMUTCULNR-HUUCEWRRSA-N 2 0 350.463 -0.223 20 0 FBADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@@H]2CCc3ncnn32)C[C@H]1O ZINC001194258308 841137972 /nfs/dbraw/zinc/13/79/72/841137972.db2.gz GUTPNBJXNAWHQJ-BFHYXJOUSA-N 2 0 350.467 -0.343 20 0 FBADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@H]2CCc3ncnn32)C[C@H]1O ZINC001194258309 841137241 /nfs/dbraw/zinc/13/72/41/841137241.db2.gz GUTPNBJXNAWHQJ-MGPQQGTHSA-N 2 0 350.467 -0.343 20 0 FBADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@H]2CCNC(=O)CC2)C[C@H]1O ZINC001194258673 841137798 /nfs/dbraw/zinc/13/77/98/841137798.db2.gz KKABAXZGPZTLNA-RBSFLKMASA-N 2 0 354.495 -0.206 20 0 FBADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@@H]2CCNC(=O)CC2)C[C@H]1O ZINC001194258675 841137649 /nfs/dbraw/zinc/13/76/49/841137649.db2.gz KKABAXZGPZTLNA-RRFJBIMHSA-N 2 0 354.495 -0.206 20 0 FBADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@H](O)COCC(C)C)C[C@H]1O ZINC001194265197 841137308 /nfs/dbraw/zinc/13/73/08/841137308.db2.gz NSEBMASLGZQCCS-ARFHVFGLSA-N 2 0 359.511 -0.089 20 0 FBADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@@H](O)COCC(C)C)C[C@H]1O ZINC001194265200 841139229 /nfs/dbraw/zinc/13/92/29/841139229.db2.gz NSEBMASLGZQCCS-BZUAXINKSA-N 2 0 359.511 -0.089 20 0 FBADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@@H](O)Cn2cccn2)C[C@H]1O ZINC001194265294 841138786 /nfs/dbraw/zinc/13/87/86/841138786.db2.gz PKACCYHTWIZIJB-RBSFLKMASA-N 2 0 353.467 -0.864 20 0 FBADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@H](O)Cn2cccn2)C[C@H]1O ZINC001194265295 841138700 /nfs/dbraw/zinc/13/87/00/841138700.db2.gz PKACCYHTWIZIJB-RRFJBIMHSA-N 2 0 353.467 -0.864 20 0 FBADRP CN(CCC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)c1cc[nH+]cc1 ZINC001194289209 841144129 /nfs/dbraw/zinc/14/41/29/841144129.db2.gz CYHQCBJUWRKZES-HZPDHXFCSA-N 2 0 352.435 -0.922 20 0 FBADRP COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001194290221 841144324 /nfs/dbraw/zinc/14/43/24/841144324.db2.gz RKVYFDROOXQNDY-ARFHVFGLSA-N 2 0 352.435 -0.924 20 0 FBADRP COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001194290222 841144579 /nfs/dbraw/zinc/14/45/79/841144579.db2.gz RKVYFDROOXQNDY-BZUAXINKSA-N 2 0 352.435 -0.924 20 0 FBADRP COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001194320965 841141630 /nfs/dbraw/zinc/14/16/30/841141630.db2.gz BEJURJXWKZLSEI-ARFHVFGLSA-N 2 0 357.495 -0.192 20 0 FBADRP COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001194320966 841141524 /nfs/dbraw/zinc/14/15/24/841141524.db2.gz BEJURJXWKZLSEI-BZUAXINKSA-N 2 0 357.495 -0.192 20 0 FBADRP C[NH+]1CCN(c2ccc(C(=O)N(CC[NH3+])S(C)(=O)=O)c(F)c2)CC1 ZINC001194518791 841160466 /nfs/dbraw/zinc/16/04/66/841160466.db2.gz ZPGJKELRALQQMO-UHFFFAOYSA-N 2 0 358.439 -0.062 20 0 FBADRP CCOCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001194831474 841189911 /nfs/dbraw/zinc/18/99/11/841189911.db2.gz FPVRDFKHEGCRFL-DSZOFWSKSA-N 2 0 353.463 -0.563 20 0 FBADRP CCOCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001194831475 841190559 /nfs/dbraw/zinc/19/05/59/841190559.db2.gz FPVRDFKHEGCRFL-YLADIXGZSA-N 2 0 353.463 -0.563 20 0 FBADRP CC(C)OCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001194832289 841190583 /nfs/dbraw/zinc/19/05/83/841190583.db2.gz MADIWQZPZFPAQY-DSZOFWSKSA-N 2 0 353.463 -0.564 20 0 FBADRP CC(C)OCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001194832291 841190346 /nfs/dbraw/zinc/19/03/46/841190346.db2.gz MADIWQZPZFPAQY-YLADIXGZSA-N 2 0 353.463 -0.564 20 0 FBADRP COCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001194832781 841192168 /nfs/dbraw/zinc/19/21/68/841192168.db2.gz SLMKEMPULUNPKL-DSZOFWSKSA-N 2 0 353.463 -0.563 20 0 FBADRP COCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001194832783 841192100 /nfs/dbraw/zinc/19/21/00/841192100.db2.gz SLMKEMPULUNPKL-YLADIXGZSA-N 2 0 353.463 -0.563 20 0 FBADRP COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001194982751 841207529 /nfs/dbraw/zinc/20/75/29/841207529.db2.gz SASXDMOJPBZLAM-ARFHVFGLSA-N 2 0 357.495 -0.333 20 0 FBADRP COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001194982752 841206877 /nfs/dbraw/zinc/20/68/77/841206877.db2.gz SASXDMOJPBZLAM-BZUAXINKSA-N 2 0 357.495 -0.333 20 0 FBADRP COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001194997182 841208771 /nfs/dbraw/zinc/20/87/71/841208771.db2.gz NRMBDCKDORLEFW-BRWVUGGUSA-N 2 0 357.495 -0.190 20 0 FBADRP COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001194997183 841208592 /nfs/dbraw/zinc/20/85/92/841208592.db2.gz NRMBDCKDORLEFW-GVDBMIGSSA-N 2 0 357.495 -0.190 20 0 FBADRP C[N@H+](CCC(=O)N[C@@H]1C[NH+](CCOCCO)C[C@H]1O)C1CCCCC1 ZINC001194997465 841208361 /nfs/dbraw/zinc/20/83/61/841208361.db2.gz RJZUMLJYFSCMPQ-IAGOWNOFSA-N 2 0 357.495 -0.189 20 0 FBADRP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](CCCN3CCCC3=O)C[C@H]2O)CC1 ZINC001195640731 841266066 /nfs/dbraw/zinc/26/60/66/841266066.db2.gz MIEPWRZFRIKXCA-HUUCEWRRSA-N 2 0 352.479 -0.498 20 0 FBADRP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCNC(=O)CC3)C[C@H]2O)CC1 ZINC001195676291 841269124 /nfs/dbraw/zinc/26/91/24/841269124.db2.gz BHSFWTTVTWXOGK-RBSFLKMASA-N 2 0 352.479 -0.594 20 0 FBADRP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]2O)CC1 ZINC001195676293 841268852 /nfs/dbraw/zinc/26/88/52/841268852.db2.gz BHSFWTTVTWXOGK-RRFJBIMHSA-N 2 0 352.479 -0.594 20 0 FBADRP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](CCCO[C@H]3CCOC3)C[C@H]2O)CC1 ZINC001195676784 841269293 /nfs/dbraw/zinc/26/92/93/841269293.db2.gz KOSNRWSFFVHWHI-ARFHVFGLSA-N 2 0 355.479 -0.315 20 0 FBADRP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](CCCO[C@@H]3CCOC3)C[C@H]2O)CC1 ZINC001195676789 841269469 /nfs/dbraw/zinc/26/94/69/841269469.db2.gz KOSNRWSFFVHWHI-BZUAXINKSA-N 2 0 355.479 -0.315 20 0 FBADRP CC(C)COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195677478 841269178 /nfs/dbraw/zinc/26/91/78/841269178.db2.gz QSZBABBTWUMNQL-ARFHVFGLSA-N 2 0 357.495 -0.477 20 0 FBADRP CC(C)COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195677481 841268981 /nfs/dbraw/zinc/26/89/81/841268981.db2.gz QSZBABBTWUMNQL-BZUAXINKSA-N 2 0 357.495 -0.477 20 0 FBADRP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COCC(F)(F)F)C[C@H]1O ZINC001195700397 841273623 /nfs/dbraw/zinc/27/36/23/841273623.db2.gz DHFQHHAEKLDFSS-JHJVBQTASA-N 2 0 371.400 -0.571 20 0 FBADRP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](C[C@H](O)COCC(F)(F)F)C[C@H]1O ZINC001195700398 841274003 /nfs/dbraw/zinc/27/40/03/841274003.db2.gz DHFQHHAEKLDFSS-YNEHKIRRSA-N 2 0 371.400 -0.571 20 0 FBADRP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](CCCNC(=O)C(F)(F)F)C[C@H]1O ZINC001195701894 841275117 /nfs/dbraw/zinc/27/51/17/841275117.db2.gz SEKYBGTVGSZRDV-VXGBXAGGSA-N 2 0 368.400 -0.442 20 0 FBADRP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](CCCCCn2cncn2)C[C@H]1O ZINC001195708192 841276088 /nfs/dbraw/zinc/27/60/88/841276088.db2.gz HOBDXGPRUIRBDF-HZPDHXFCSA-N 2 0 352.483 -0.049 20 0 FBADRP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCCO[C@@H]3CCOC3)C[C@H]2O)CC1 ZINC001195828126 841285727 /nfs/dbraw/zinc/28/57/27/841285727.db2.gz FPKXIKFZSXQSPA-BRWVUGGUSA-N 2 0 355.479 -0.315 20 0 FBADRP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCCO[C@H]3CCOC3)C[C@H]2O)CC1 ZINC001195828127 841286274 /nfs/dbraw/zinc/28/62/74/841286274.db2.gz FPKXIKFZSXQSPA-GVDBMIGSSA-N 2 0 355.479 -0.315 20 0 FBADRP CC(C)COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001195834988 841287980 /nfs/dbraw/zinc/28/79/80/841287980.db2.gz USXMXJQURRUSON-BRWVUGGUSA-N 2 0 357.495 -0.477 20 0 FBADRP CC(C)COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001195834989 841287426 /nfs/dbraw/zinc/28/74/26/841287426.db2.gz USXMXJQURRUSON-GVDBMIGSSA-N 2 0 357.495 -0.477 20 0 FBADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COCC(F)(F)F)C[C@H]1O ZINC001195859953 841285048 /nfs/dbraw/zinc/28/50/48/841285048.db2.gz POIIINUDKRUUDW-IJLUTSLNSA-N 2 0 357.373 -0.961 20 0 FBADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)COCC(F)(F)F)C[C@H]1O ZINC001195859954 841284923 /nfs/dbraw/zinc/28/49/23/841284923.db2.gz POIIINUDKRUUDW-QJPTWQEYSA-N 2 0 357.373 -0.961 20 0 FBADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCCNC(=O)C(F)(F)F)C[C@H]1O ZINC001195860209 841284774 /nfs/dbraw/zinc/28/47/74/841284774.db2.gz UCMFVTGDQWNRJY-GHMZBOCLSA-N 2 0 354.373 -0.832 20 0 FBADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)Cc2ccc(F)cc2)C[C@H]1O ZINC001195860261 841285084 /nfs/dbraw/zinc/28/50/84/841285084.db2.gz UTHZHQGCLYFKHB-BRWVUGGUSA-N 2 0 353.438 -0.158 20 0 FBADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cc2ccc(F)cc2)C[C@H]1O ZINC001195860266 841284991 /nfs/dbraw/zinc/28/49/91/841284991.db2.gz UTHZHQGCLYFKHB-GVDBMIGSSA-N 2 0 353.438 -0.158 20 0 FBADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COCc2cccs2)C[C@H]1O ZINC001195871681 841290359 /nfs/dbraw/zinc/29/03/59/841290359.db2.gz SKSOLJBEZGWYPH-FVQBIDKESA-N 2 0 371.503 -0.261 20 0 FBADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)COCc2cccs2)C[C@H]1O ZINC001195871683 841291154 /nfs/dbraw/zinc/29/11/54/841291154.db2.gz SKSOLJBEZGWYPH-NUEKZKHPSA-N 2 0 371.503 -0.261 20 0 FBADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COCc2ccco2)C[C@H]1O ZINC001195871692 841291249 /nfs/dbraw/zinc/29/12/49/841291249.db2.gz SUCOWRMBHZAMEF-FVQBIDKESA-N 2 0 355.435 -0.730 20 0 FBADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)COCc2ccco2)C[C@H]1O ZINC001195871694 841291067 /nfs/dbraw/zinc/29/10/67/841291067.db2.gz SUCOWRMBHZAMEF-NUEKZKHPSA-N 2 0 355.435 -0.730 20 0 FBADRP COCCOC[C@H](O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001195893926 841288389 /nfs/dbraw/zinc/28/83/89/841288389.db2.gz NYMOVSFJNDJKTF-BRWVUGGUSA-N 2 0 357.495 -0.115 20 0 FBADRP COCCOC[C@@H](O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001195893927 841289344 /nfs/dbraw/zinc/28/93/44/841289344.db2.gz NYMOVSFJNDJKTF-IXDOHACOSA-N 2 0 357.495 -0.115 20 0 FBADRP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1O)[NH+](C)C ZINC001195972374 841296958 /nfs/dbraw/zinc/29/69/58/841296958.db2.gz BJHSZNQBJONLJP-BFYDXBDKSA-N 2 0 350.463 -0.367 20 0 FBADRP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCCCCn2cncn2)C[C@H]1O)[NH+](C)C ZINC001196276651 841339690 /nfs/dbraw/zinc/33/96/90/841339690.db2.gz RFTYSGDFGQVHKN-OWCLPIDISA-N 2 0 352.483 -0.050 20 0 FBADRP CCOCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001196804032 841393060 /nfs/dbraw/zinc/39/30/60/841393060.db2.gz SLGMJWKTCGOYPG-HZPDHXFCSA-N 2 0 353.467 -0.354 20 0 FBADRP COCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001196804391 841393927 /nfs/dbraw/zinc/39/39/27/841393927.db2.gz WFWFEIZQXHJNFA-HZPDHXFCSA-N 2 0 353.467 -0.354 20 0 FBADRP COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001196920416 841403948 /nfs/dbraw/zinc/40/39/48/841403948.db2.gz WIMMTKALQAVQQD-BRWVUGGUSA-N 2 0 351.447 -0.470 20 0 FBADRP COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001196920417 841404123 /nfs/dbraw/zinc/40/41/23/841404123.db2.gz WIMMTKALQAVQQD-GVDBMIGSSA-N 2 0 351.447 -0.470 20 0 FBADRP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CN(CCOCCO)C[C@H]2O)cc1 ZINC001196939873 841410437 /nfs/dbraw/zinc/41/04/37/841410437.db2.gz MEDSBKLXLWMFRN-IAGOWNOFSA-N 2 0 351.447 -0.468 20 0 FBADRP Cc1nc(CCN2C[C@@H](O)[C@H](NC(=O)CCN3CCOCC3)C2)cs1 ZINC001196945387 841410538 /nfs/dbraw/zinc/41/05/38/841410538.db2.gz BJFSKWRHADZZDU-HZPDHXFCSA-N 2 0 368.503 -0.122 20 0 FBADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCCCCn2cncn2)C[C@H]1O ZINC001197049102 841418679 /nfs/dbraw/zinc/41/86/79/841418679.db2.gz JTBDOCKJQYYUKK-HZPDHXFCSA-N 2 0 352.483 -0.049 20 0 FBADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COCC(F)(F)F)C[C@H]1O ZINC001197058391 841419871 /nfs/dbraw/zinc/41/98/71/841419871.db2.gz RKAHTEPPIBAXRX-JHJVBQTASA-N 2 0 371.400 -0.571 20 0 FBADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)COCC(F)(F)F)C[C@H]1O ZINC001197058392 841420403 /nfs/dbraw/zinc/42/04/03/841420403.db2.gz RKAHTEPPIBAXRX-YNEHKIRRSA-N 2 0 371.400 -0.571 20 0 FBADRP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](C[C@H]3CCCOC3)C[C@H]2O)CC1 ZINC001197319415 841445780 /nfs/dbraw/zinc/44/57/80/841445780.db2.gz FDDOWCATHDXKKA-DJIMGWMZSA-N 2 0 355.479 -0.315 20 0 FBADRP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](C[C@@H]3CCCOC3)C[C@H]2O)CC1 ZINC001197319416 841446380 /nfs/dbraw/zinc/44/63/80/841446380.db2.gz FDDOWCATHDXKKA-USXIJHARSA-N 2 0 355.479 -0.315 20 0 FBADRP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](CC3CCOCC3)C[C@H]2O)CC1 ZINC001197319430 841446393 /nfs/dbraw/zinc/44/63/93/841446393.db2.gz GEQILQFCDGQMRD-IAGOWNOFSA-N 2 0 355.479 -0.315 20 0 FBADRP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCOC3)C[C@H]2O)CC1 ZINC001197319480 841446399 /nfs/dbraw/zinc/44/63/99/841446399.db2.gz JMVINZVBGXGVLV-DJIMGWMZSA-N 2 0 355.479 -0.315 20 0 FBADRP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](CC[C@H]3CCOC3)C[C@H]2O)CC1 ZINC001197319481 841446125 /nfs/dbraw/zinc/44/61/25/841446125.db2.gz JMVINZVBGXGVLV-USXIJHARSA-N 2 0 355.479 -0.315 20 0 FBADRP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](C[C@H]3CCCCO3)C[C@H]2O)CC1 ZINC001197319649 841445969 /nfs/dbraw/zinc/44/59/69/841445969.db2.gz NDJKQZLZRNPOPL-BRWVUGGUSA-N 2 0 355.479 -0.172 20 0 FBADRP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](C[C@@H]3CCCCO3)C[C@H]2O)CC1 ZINC001197319650 841446151 /nfs/dbraw/zinc/44/61/51/841446151.db2.gz NDJKQZLZRNPOPL-GVDBMIGSSA-N 2 0 355.479 -0.172 20 0 FBADRP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](CCOC3CCC3)C[C@H]2O)CC1 ZINC001197319686 841446082 /nfs/dbraw/zinc/44/60/82/841446082.db2.gz OTOQMDFAJBBAER-IAGOWNOFSA-N 2 0 355.479 -0.172 20 0 FBADRP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](CC[C@H]3CCCO3)C[C@H]2O)CC1 ZINC001197320368 841445728 /nfs/dbraw/zinc/44/57/28/841445728.db2.gz YJWNWELZGKLUTB-DJIMGWMZSA-N 2 0 355.479 -0.172 20 0 FBADRP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCCO3)C[C@H]2O)CC1 ZINC001197320369 841447194 /nfs/dbraw/zinc/44/71/94/841447194.db2.gz YJWNWELZGKLUTB-USXIJHARSA-N 2 0 355.479 -0.172 20 0 FBADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCCCn2cncn2)C[C@H]1O ZINC001197493022 841462693 /nfs/dbraw/zinc/46/26/93/841462693.db2.gz CXOPLUZGCCUEOD-HZPDHXFCSA-N 2 0 352.483 -0.049 20 0 FBADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCNC(=O)C(F)(F)F)C[C@H]1O ZINC001197536031 841465489 /nfs/dbraw/zinc/46/54/89/841465489.db2.gz HSZSIHOGAPYXBL-VXGBXAGGSA-N 2 0 368.400 -0.442 20 0 FBADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)COCC(F)(F)F)C[C@H]1O ZINC001197536098 841466554 /nfs/dbraw/zinc/46/65/54/841466554.db2.gz JFLSTDFLABMFPU-JHJVBQTASA-N 2 0 371.400 -0.571 20 0 FBADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)COCC(F)(F)F)C[C@H]1O ZINC001197536099 841466324 /nfs/dbraw/zinc/46/63/24/841466324.db2.gz JFLSTDFLABMFPU-YNEHKIRRSA-N 2 0 371.400 -0.571 20 0 FBADRP COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001197644078 841477486 /nfs/dbraw/zinc/47/74/86/841477486.db2.gz IAWIMFVDXZHABO-BRWVUGGUSA-N 2 0 355.479 -0.723 20 0 FBADRP COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001197644082 841477905 /nfs/dbraw/zinc/47/79/05/841477905.db2.gz IAWIMFVDXZHABO-GVDBMIGSSA-N 2 0 355.479 -0.723 20 0 FBADRP CCC[NH+](CCC)CCCC(=O)N[C@@H]1CN([C@@H]2CCNC2=O)C[C@H]1O ZINC001197724956 841489483 /nfs/dbraw/zinc/48/94/83/841489483.db2.gz ZINXBYMGTJNOAE-BZUAXINKSA-N 2 0 354.495 -0.062 20 0 FBADRP CCC[NH+](CCC)CCCC(=O)N[C@@H]1CN([C@H]2CCNC2=O)C[C@H]1O ZINC001197724957 841489564 /nfs/dbraw/zinc/48/95/64/841489564.db2.gz ZINXBYMGTJNOAE-OWCLPIDISA-N 2 0 354.495 -0.062 20 0 FBADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@H]1O ZINC001197791105 841495531 /nfs/dbraw/zinc/49/55/31/841495531.db2.gz ABUVYXPKFCKFKI-CHWSQXEVSA-N 2 0 371.400 -0.305 20 0 FBADRP O=C(N[C@@H]1C[N@@H+](CCCO[C@H]2CCOC2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001197820011 841503025 /nfs/dbraw/zinc/50/30/25/841503025.db2.gz SUIZOHZAWNXQFZ-ARFHVFGLSA-N 2 0 353.463 -0.561 20 0 FBADRP O=C(N[C@@H]1C[N@@H+](CCCO[C@@H]2CCOC2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001197820012 841502936 /nfs/dbraw/zinc/50/29/36/841502936.db2.gz SUIZOHZAWNXQFZ-BZUAXINKSA-N 2 0 353.463 -0.561 20 0 FBADRP CC(C)COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001197820139 841503232 /nfs/dbraw/zinc/50/32/32/841503232.db2.gz WESPRNLZMMTQJJ-ARFHVFGLSA-N 2 0 355.479 -0.723 20 0 FBADRP CC(C)COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001197820140 841502871 /nfs/dbraw/zinc/50/28/71/841502871.db2.gz WESPRNLZMMTQJJ-BZUAXINKSA-N 2 0 355.479 -0.723 20 0 FBADRP Cc1ncsc1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197825402 841503095 /nfs/dbraw/zinc/50/30/95/841503095.db2.gz CUKBYBQWTSTNTG-ZIAGYGMSSA-N 2 0 356.492 -0.266 20 0 FBADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@H]1O ZINC001197825708 841503465 /nfs/dbraw/zinc/50/34/65/841503465.db2.gz GRCLHPIPCLLPHT-IAGOWNOFSA-N 2 0 357.495 -0.067 20 0 FBADRP CO[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1)C1CCCC1 ZINC001197825987 841504968 /nfs/dbraw/zinc/50/49/68/841504968.db2.gz KKJRTMMYWIYLMX-BRWVUGGUSA-N 2 0 357.495 -0.069 20 0 FBADRP CO[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1)C1CCCC1 ZINC001197825988 841504548 /nfs/dbraw/zinc/50/45/48/841504548.db2.gz KKJRTMMYWIYLMX-ZACQAIPSSA-N 2 0 357.495 -0.069 20 0 FBADRP CCn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)cn1 ZINC001197826223 841504101 /nfs/dbraw/zinc/50/41/01/841504101.db2.gz RESJPZDLRRLWKT-HZPDHXFCSA-N 2 0 353.467 -0.815 20 0 FBADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)C2CCCCC2)C[C@H]1O ZINC001197826244 841504678 /nfs/dbraw/zinc/50/46/78/841504678.db2.gz SCEVLAJKSIZIKS-BRWVUGGUSA-N 2 0 357.495 -0.333 20 0 FBADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](C[C@H](O)C2CCCCC2)C[C@H]1O ZINC001197826245 841505247 /nfs/dbraw/zinc/50/52/47/841505247.db2.gz SCEVLAJKSIZIKS-IXDOHACOSA-N 2 0 357.495 -0.333 20 0 FBADRP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1O ZINC001197926132 841510089 /nfs/dbraw/zinc/51/00/89/841510089.db2.gz FJLHOWYREVAKIH-HZPDHXFCSA-N 2 0 354.495 -0.108 20 0 FBADRP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1O ZINC001197926620 841509841 /nfs/dbraw/zinc/50/98/41/841509841.db2.gz QOYHLPRMDIBXOZ-ARFHVFGLSA-N 2 0 353.467 -0.863 20 0 FBADRP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1O ZINC001197926621 841510233 /nfs/dbraw/zinc/51/02/33/841510233.db2.gz QOYHLPRMDIBXOZ-BZUAXINKSA-N 2 0 353.467 -0.863 20 0 FBADRP Cn1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C2)cc1=O ZINC001197941984 841513164 /nfs/dbraw/zinc/51/31/64/841513164.db2.gz SQVPNYZEUZQQRH-HZPDHXFCSA-N 2 0 350.463 -0.222 20 0 FBADRP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1O ZINC001197949290 841513372 /nfs/dbraw/zinc/51/33/72/841513372.db2.gz QOEJVDAXPUQJQP-ARFHVFGLSA-N 2 0 354.495 -0.204 20 0 FBADRP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1O ZINC001197949293 841512481 /nfs/dbraw/zinc/51/24/81/841512481.db2.gz QOEJVDAXPUQJQP-BZUAXINKSA-N 2 0 354.495 -0.204 20 0 FBADRP CC(=O)NCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197950442 841514080 /nfs/dbraw/zinc/51/40/80/841514080.db2.gz ZRVWGXHNMFYQSS-HZPDHXFCSA-N 2 0 358.483 -0.968 20 0 FBADRP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCc3ncnn32)C[C@H]1O ZINC001197954926 841514135 /nfs/dbraw/zinc/51/41/35/841514135.db2.gz GOHKZRDIKSOHHX-RBSFLKMASA-N 2 0 350.467 -0.341 20 0 FBADRP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCc3ncnn32)C[C@H]1O ZINC001197954927 841514114 /nfs/dbraw/zinc/51/41/14/841514114.db2.gz GOHKZRDIKSOHHX-RRFJBIMHSA-N 2 0 350.467 -0.341 20 0 FBADRP CC(C)COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197954954 841514344 /nfs/dbraw/zinc/51/43/44/841514344.db2.gz HLMWCYCYZLZUHB-BRWVUGGUSA-N 2 0 359.511 -0.087 20 0 FBADRP CC(C)COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197954955 841514020 /nfs/dbraw/zinc/51/40/20/841514020.db2.gz HLMWCYCYZLZUHB-GVDBMIGSSA-N 2 0 359.511 -0.087 20 0 FBADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ccn(C)c(=O)c2)C[C@H]1O ZINC001197996732 841518898 /nfs/dbraw/zinc/51/88/98/841518898.db2.gz GANMOEHEPBVTDJ-HZPDHXFCSA-N 2 0 350.463 -0.222 20 0 FBADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOCCNC(C)=O)C[C@H]1O ZINC001198028673 841523075 /nfs/dbraw/zinc/52/30/75/841523075.db2.gz FWKZDIIRAVSDHU-HZPDHXFCSA-N 2 0 358.483 -0.968 20 0 FBADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)COCC(F)(F)F)C[C@H]1O ZINC001198028697 841524540 /nfs/dbraw/zinc/52/45/40/841524540.db2.gz GOGMLAKLZBQLIV-JHJVBQTASA-N 2 0 371.400 -0.571 20 0 FBADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)COCC(F)(F)F)C[C@H]1O ZINC001198028698 841524340 /nfs/dbraw/zinc/52/43/40/841524340.db2.gz GOGMLAKLZBQLIV-YNEHKIRRSA-N 2 0 371.400 -0.571 20 0 FBADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H]2CCc3ncnn32)C[C@H]1O ZINC001198038196 841526205 /nfs/dbraw/zinc/52/62/05/841526205.db2.gz KBEGZRDEASYLHH-RBSFLKMASA-N 2 0 350.467 -0.341 20 0 FBADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H]2CCc3ncnn32)C[C@H]1O ZINC001198038197 841525461 /nfs/dbraw/zinc/52/54/61/841525461.db2.gz KBEGZRDEASYLHH-RRFJBIMHSA-N 2 0 350.467 -0.341 20 0 FBADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CN(CCN2C(=O)CCC2=O)C[C@H]1O ZINC001198038271 841526379 /nfs/dbraw/zinc/52/63/79/841526379.db2.gz NIVRAFREBOICQS-ZIAGYGMSSA-N 2 0 354.451 -0.971 20 0 FBADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1O ZINC001198038274 841525283 /nfs/dbraw/zinc/52/52/83/841525283.db2.gz NNETXAKYUMDVMV-HZPDHXFCSA-N 2 0 354.495 -0.108 20 0 FBADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)COCC(C)C)C[C@H]1O ZINC001198038276 841525331 /nfs/dbraw/zinc/52/53/31/841525331.db2.gz NTUGMCQQESCTRI-BRWVUGGUSA-N 2 0 359.511 -0.087 20 0 FBADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)COCC(C)C)C[C@H]1O ZINC001198038277 841525422 /nfs/dbraw/zinc/52/54/22/841525422.db2.gz NTUGMCQQESCTRI-GVDBMIGSSA-N 2 0 359.511 -0.087 20 0 FBADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CN(CCNC(=O)NC(C)C)C[C@H]1O ZINC001198038508 841526324 /nfs/dbraw/zinc/52/63/24/841526324.db2.gz UIPISYKRCVRVHY-HUUCEWRRSA-N 2 0 357.499 -0.413 20 0 FBADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)Cn2cccn2)C[C@H]1O ZINC001198038919 841527030 /nfs/dbraw/zinc/52/70/30/841527030.db2.gz WSQGBTOMPXSRED-ARFHVFGLSA-N 2 0 353.467 -0.863 20 0 FBADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)Cn2cccn2)C[C@H]1O ZINC001198038921 841527587 /nfs/dbraw/zinc/52/75/87/841527587.db2.gz WSQGBTOMPXSRED-BZUAXINKSA-N 2 0 353.467 -0.863 20 0 FBADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H]2CCNC(=O)CC2)C[C@H]1O ZINC001198038991 841527362 /nfs/dbraw/zinc/52/73/62/841527362.db2.gz XWLXMRUJVVPJII-ARFHVFGLSA-N 2 0 354.495 -0.204 20 0 FBADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H]2CCNC(=O)CC2)C[C@H]1O ZINC001198038993 841527136 /nfs/dbraw/zinc/52/71/36/841527136.db2.gz XWLXMRUJVVPJII-BZUAXINKSA-N 2 0 354.495 -0.204 20 0 FBADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCCCCn2cncn2)C[C@H]1O ZINC001198046924 841520087 /nfs/dbraw/zinc/52/00/87/841520087.db2.gz JBBPZTPLTBHXHI-HZPDHXFCSA-N 2 0 352.483 -0.049 20 0 FBADRP C[C@H](NC(=O)CN1CCC(O)(C[NH+]2CCCCC2)CC1)C(=O)N(C)C ZINC001198611933 841573381 /nfs/dbraw/zinc/57/33/81/841573381.db2.gz HEJUHONASNAROE-HNNXBMFYSA-N 2 0 354.495 -0.108 20 0 FBADRP C[C@@H](NC(=O)CN1CCC(O)(C[NH+]2CCCCC2)CC1)C(=O)N(C)C ZINC001198611934 841574294 /nfs/dbraw/zinc/57/42/94/841574294.db2.gz HEJUHONASNAROE-OAHLLOKOSA-N 2 0 354.495 -0.108 20 0 FBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCCNC(=O)C(F)(F)F)C[C@H]2O)C1 ZINC001198652809 841577678 /nfs/dbraw/zinc/57/76/78/841577678.db2.gz CCTUKMRTTLRGBV-IJLUTSLNSA-N 2 0 366.384 -0.832 20 0 FBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCCNC(=O)C(F)(F)F)C[C@H]2O)C1 ZINC001198652814 841578430 /nfs/dbraw/zinc/57/84/30/841578430.db2.gz CCTUKMRTTLRGBV-QJPTWQEYSA-N 2 0 366.384 -0.832 20 0 FBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1O ZINC001198698490 841582136 /nfs/dbraw/zinc/58/21/36/841582136.db2.gz AIHQZWLLWHVCCV-DJIMGWMZSA-N 2 0 355.479 -0.457 20 0 FBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1O ZINC001198698492 841581167 /nfs/dbraw/zinc/58/11/67/841581167.db2.gz AIHQZWLLWHVCCV-USXIJHARSA-N 2 0 355.479 -0.457 20 0 FBADRP CC(C)OCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001198698583 841580804 /nfs/dbraw/zinc/58/08/04/841580804.db2.gz BQMZZDJTANVQIS-BRWVUGGUSA-N 2 0 357.495 -0.069 20 0 FBADRP CC(C)OCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001198698586 841581473 /nfs/dbraw/zinc/58/14/73/841581473.db2.gz BQMZZDJTANVQIS-GVDBMIGSSA-N 2 0 357.495 -0.069 20 0 FBADRP COCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001198698666 841581707 /nfs/dbraw/zinc/58/17/07/841581707.db2.gz DSISLCBOKDILOH-BRWVUGGUSA-N 2 0 357.495 -0.067 20 0 FBADRP COCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001198698667 841581311 /nfs/dbraw/zinc/58/13/11/841581311.db2.gz DSISLCBOKDILOH-GVDBMIGSSA-N 2 0 357.495 -0.067 20 0 FBADRP CCN1CCO[C@@H](C(=O)N[C@@H]2CN(CCOCCC(C)C)C[C@H]2O)C1 ZINC001198869996 841609747 /nfs/dbraw/zinc/60/97/47/841609747.db2.gz FPVKQTSPZVQHJW-BRWVUGGUSA-N 2 0 357.495 -0.069 20 0 FBADRP CCN1CCO[C@H](C(=O)N[C@@H]2CN(CCOCCC(C)C)C[C@H]2O)C1 ZINC001198869997 841609558 /nfs/dbraw/zinc/60/95/58/841609558.db2.gz FPVKQTSPZVQHJW-ZACQAIPSSA-N 2 0 357.495 -0.069 20 0 FBADRP COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001199004463 841620782 /nfs/dbraw/zinc/62/07/82/841620782.db2.gz QVOARRCJMBDRJQ-BRWVUGGUSA-N 2 0 351.447 -0.470 20 0 FBADRP COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001199004468 841620705 /nfs/dbraw/zinc/62/07/05/841620705.db2.gz QVOARRCJMBDRJQ-GVDBMIGSSA-N 2 0 351.447 -0.470 20 0 FBADRP COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001199064721 841628459 /nfs/dbraw/zinc/62/84/59/841628459.db2.gz PKOSPTHECQMVQJ-DJIMGWMZSA-N 2 0 351.447 -0.470 20 0 FBADRP COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001199064722 841627938 /nfs/dbraw/zinc/62/79/38/841627938.db2.gz PKOSPTHECQMVQJ-USXIJHARSA-N 2 0 351.447 -0.470 20 0 FBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)COCC(F)(F)F)C[C@H]1O ZINC001199111658 841638783 /nfs/dbraw/zinc/63/87/83/841638783.db2.gz GMMQOELBGDNMGX-JHJVBQTASA-N 2 0 371.400 -0.572 20 0 FBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)COCC(F)(F)F)C[C@H]1O ZINC001199111659 841638452 /nfs/dbraw/zinc/63/84/52/841638452.db2.gz GMMQOELBGDNMGX-YNEHKIRRSA-N 2 0 371.400 -0.572 20 0 FBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCCCCn2cncn2)C[C@H]1O ZINC001199112047 841638746 /nfs/dbraw/zinc/63/87/46/841638746.db2.gz YOBPCRZSEWHLIR-HZPDHXFCSA-N 2 0 352.483 -0.050 20 0 FBADRP COCCOCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001199127549 841633114 /nfs/dbraw/zinc/63/31/14/841633114.db2.gz HIOBHNUVJUBKFV-BRWVUGGUSA-N 2 0 357.495 -0.069 20 0 FBADRP COCCOCCN1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001199127550 841633003 /nfs/dbraw/zinc/63/30/03/841633003.db2.gz HIOBHNUVJUBKFV-ZACQAIPSSA-N 2 0 357.495 -0.069 20 0 FBADRP O=C(CCCC[NH+]1CCCC1)N[C@@H]1CN(CCn2cncn2)C[C@H]1O ZINC001199370162 841658269 /nfs/dbraw/zinc/65/82/69/841658269.db2.gz NNTBVRHSFHFELI-HZPDHXFCSA-N 2 0 350.467 -0.295 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CCCO[C@H](C[NH2+]CC(=O)N3CCC3)C2)CC[N@@H+]1C ZINC001200536692 852209626 /nfs/dbraw/zinc/20/96/26/852209626.db2.gz FATGBSMXEITZRI-BZUAXINKSA-N 2 0 352.479 -0.234 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CC(=O)N3CCC3)C2)CC[N@@H+]1C ZINC001200536694 852209168 /nfs/dbraw/zinc/20/91/68/852209168.db2.gz FATGBSMXEITZRI-OWCLPIDISA-N 2 0 352.479 -0.234 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CCCO[C@H](C[NH2+]CC(=O)NC3CC3)C2)CC[N@@H+]1C ZINC001200536898 852209707 /nfs/dbraw/zinc/20/97/07/852209707.db2.gz IUWFGNJKEYBWGB-FVQBIDKESA-N 2 0 352.479 -0.188 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CC(=O)NC3CC3)C2)CC[N@@H+]1C ZINC001200536899 852208956 /nfs/dbraw/zinc/20/89/56/852208956.db2.gz IUWFGNJKEYBWGB-VNQPRFMTSA-N 2 0 352.479 -0.188 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CCS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001200538405 852209758 /nfs/dbraw/zinc/20/97/58/852209758.db2.gz ZQOMFCVLZOXSPO-QLFBSQMISA-N 2 0 361.508 -0.422 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CCCO[C@H](C[NH2+]CCS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001200538407 852209236 /nfs/dbraw/zinc/20/92/36/852209236.db2.gz ZQOMFCVLZOXSPO-RBSFLKMASA-N 2 0 361.508 -0.422 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CCCO[C@H](C[NH2+]CCn3cncn3)C2)CC[N@@H+]1C ZINC001200548329 852209648 /nfs/dbraw/zinc/20/96/48/852209648.db2.gz UBKVRCPWWNJQSX-BZUAXINKSA-N 2 0 350.467 -0.175 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CCn3cncn3)C2)CC[N@@H+]1C ZINC001200548347 852209858 /nfs/dbraw/zinc/20/98/58/852209858.db2.gz UBKVRCPWWNJQSX-OWCLPIDISA-N 2 0 350.467 -0.175 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@H](C[NH2+]CCOCCO)C2)CC[N@@H+]1C ZINC001200555906 852210962 /nfs/dbraw/zinc/21/09/62/852210962.db2.gz SVXYDHKGCUFHPS-IXDOHACOSA-N 2 0 357.495 -0.067 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]CCOCCO)C2)CC[N@@H+]1C ZINC001200555907 852210536 /nfs/dbraw/zinc/21/05/36/852210536.db2.gz SVXYDHKGCUFHPS-YESZJQIVSA-N 2 0 357.495 -0.067 20 0 FBADRP COCCOC[C@H](O)C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001200635588 852220660 /nfs/dbraw/zinc/22/06/60/852220660.db2.gz AKEIGYOMSQTQSA-DJIMGWMZSA-N 2 0 357.495 -0.069 20 0 FBADRP COCCOC[C@@H](O)C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001200635589 852221221 /nfs/dbraw/zinc/22/12/21/852221221.db2.gz AKEIGYOMSQTQSA-HYVNUMGLSA-N 2 0 357.495 -0.069 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]CCN(C)S(C)(=O)=O)CC2)CC[N@@H+]1C ZINC001200635670 852220358 /nfs/dbraw/zinc/22/03/58/852220358.db2.gz BSDYVEUPUKHTKE-UKRRQHHQSA-N 2 0 360.524 -0.201 20 0 FBADRP CCNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001200636216 852221056 /nfs/dbraw/zinc/22/10/56/852221056.db2.gz GXERRZDDOWBYMG-TZMCWYRMSA-N 2 0 353.467 -0.247 20 0 FBADRP CCS(=O)(=O)NCC[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001200637198 852221913 /nfs/dbraw/zinc/22/19/13/852221913.db2.gz SQYSGJHRCVMQHM-UKRRQHHQSA-N 2 0 360.524 -0.154 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]CC(=O)NC(=O)NC)CC2)CC[N@@H+]1C ZINC001200644013 852223299 /nfs/dbraw/zinc/22/32/99/852223299.db2.gz HXTYPNHAIDFMQT-UONOGXRCSA-N 2 0 353.467 -0.247 20 0 FBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001200644847 852223430 /nfs/dbraw/zinc/22/34/30/852223430.db2.gz RXSRRWZHBYHOEA-OUCADQQQSA-N 2 0 353.467 -0.249 20 0 FBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001200644858 852223008 /nfs/dbraw/zinc/22/30/08/852223008.db2.gz RXSRRWZHBYHOEA-YRGRVCCFSA-N 2 0 353.467 -0.249 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+][C@@H](C)C(=O)NC(N)=O)CC2)CC[N@@H+]1C ZINC001200651799 852222986 /nfs/dbraw/zinc/22/29/86/852222986.db2.gz MNHPBIDLBGMRGL-FPMFFAJLSA-N 2 0 353.467 -0.119 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+][C@H](C)C(=O)NC(N)=O)CC2)CC[N@@H+]1C ZINC001200651800 852223676 /nfs/dbraw/zinc/22/36/76/852223676.db2.gz MNHPBIDLBGMRGL-KWCYVHTRSA-N 2 0 353.467 -0.119 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]CCNS(C)(=O)=O)CC2)CC[N@@H+]1C ZINC001200652073 852224476 /nfs/dbraw/zinc/22/44/76/852224476.db2.gz YTIYWLOTIUMWAK-LSDHHAIUSA-N 2 0 360.524 -0.154 20 0 FBADRP CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CCCO1 ZINC001200787704 852242946 /nfs/dbraw/zinc/24/29/46/852242946.db2.gz WFNSSJWFSJWSDC-QLFBSQMISA-N 2 0 356.467 -0.951 20 0 FBADRP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CCCO1 ZINC001200787710 852242397 /nfs/dbraw/zinc/24/23/97/852242397.db2.gz WFNSSJWFSJWSDC-RBSFLKMASA-N 2 0 356.467 -0.951 20 0 FBADRP C[C@@H]1CN(C)C[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CC(=O)N(C)C)C2)O1 ZINC001200788580 852242025 /nfs/dbraw/zinc/24/20/25/852242025.db2.gz ZOMQAGRZHNITMU-QLFBSQMISA-N 2 0 356.467 -0.999 20 0 FBADRP C[C@@H]1CN(C)C[C@H](C(=O)N2CCCO[C@H](C[NH2+]CC(=O)N(C)C)C2)O1 ZINC001200788584 852242668 /nfs/dbraw/zinc/24/26/68/852242668.db2.gz ZOMQAGRZHNITMU-RBSFLKMASA-N 2 0 356.467 -0.999 20 0 FBADRP CS(=O)(=O)NCC[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1 ZINC001201125003 841709736 /nfs/dbraw/zinc/70/97/36/841709736.db2.gz DVXOWTNDENXEOP-CHWSQXEVSA-N 2 0 355.464 -0.357 20 0 FBADRP CN(CC[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1)S(C)(=O)=O ZINC001201125028 841709931 /nfs/dbraw/zinc/70/99/31/841709931.db2.gz FIMLRUVPAHZEGI-ZIAGYGMSSA-N 2 0 369.491 -0.015 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]CCNS(C)(=O)=O)CC2)CC[N@@H+]1C ZINC001205334218 843970285 /nfs/dbraw/zinc/97/02/85/843970285.db2.gz GMBSVGUBQKAOTK-UKRRQHHQSA-N 2 0 360.524 -0.296 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N2CCC(C[NH2+]CC(=O)NC(N)=O)CC2)CC[N@@H+]1C ZINC001205334705 843970215 /nfs/dbraw/zinc/97/02/15/843970215.db2.gz PWKBUXGKHAXSHB-UONOGXRCSA-N 2 0 353.467 -0.260 20 0 FBADRP CNC(=O)NC(=O)C[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001205335282 843970316 /nfs/dbraw/zinc/97/03/16/843970316.db2.gz WLYZYTXXUDCAGS-TZMCWYRMSA-N 2 0 353.467 -0.390 20 0 FBADRP C[C@H]([NH2+]CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)C(=O)NC(N)=O ZINC001205340283 843970269 /nfs/dbraw/zinc/97/02/69/843970269.db2.gz VGYHBBHLFAQQAI-OUCADQQQSA-N 2 0 353.467 -0.262 20 0 FBADRP C[C@@H]([NH2+]CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)C(=O)NC(N)=O ZINC001205340285 843970077 /nfs/dbraw/zinc/97/00/77/843970077.db2.gz VGYHBBHLFAQQAI-YRGRVCCFSA-N 2 0 353.467 -0.262 20 0 FBADRP CNC(=O)C[NH+]1CCC2(CN(C(=O)CC[NH+](C)C)[C@@H]3COC[C@@H]32)CC1 ZINC001205510846 843971978 /nfs/dbraw/zinc/97/19/78/843971978.db2.gz JQWAMSXPXLHENN-LSDHHAIUSA-N 2 0 352.479 -0.377 20 0 FBADRP C[C@H](C(N)=O)[NH+]1CCC2(CN(C(=O)CC[NH+](C)C)[C@@H]3COC[C@@H]32)CC1 ZINC001205510943 843972142 /nfs/dbraw/zinc/97/21/42/843972142.db2.gz PZWORZGQOLPSCW-QLFBSQMISA-N 2 0 352.479 -0.249 20 0 FBADRP C[C@@H](C(N)=O)[NH+]1CCC2(CN(C(=O)CC[NH+](C)C)[C@@H]3COC[C@@H]32)CC1 ZINC001205510944 843971943 /nfs/dbraw/zinc/97/19/43/843971943.db2.gz PZWORZGQOLPSCW-SOUVJXGZSA-N 2 0 352.479 -0.249 20 0 FBADRP C[NH+](C)CCOCC(=O)N1CC2(CC[NH+](CCO)CC2)[C@H]2COC[C@H]21 ZINC001205516792 843972826 /nfs/dbraw/zinc/97/28/26/843972826.db2.gz WGIYUUMYCLDGGK-JKSUJKDBSA-N 2 0 355.479 -0.504 20 0 FBADRP CCS(=O)(=O)NCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001206585726 843991496 /nfs/dbraw/zinc/99/14/96/843991496.db2.gz CPLNYVYXGXSNDM-KFWWJZLASA-N 2 0 360.524 -0.154 20 0 FBADRP CCS(=O)(=O)NCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001206585727 843991346 /nfs/dbraw/zinc/99/13/46/843991346.db2.gz CPLNYVYXGXSNDM-RBSFLKMASA-N 2 0 360.524 -0.154 20 0 FBADRP C[C@@H]1C[N@H+](CCCS(=O)(=O)N(C)C)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001206620668 843991524 /nfs/dbraw/zinc/99/15/24/843991524.db2.gz XDNJDFHWHXSNNY-KFWWJZLASA-N 2 0 360.524 -0.201 20 0 FBADRP C[C@@H]1C[N@H+](CCCS(=O)(=O)N(C)C)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001206620669 843991782 /nfs/dbraw/zinc/99/17/82/843991782.db2.gz XDNJDFHWHXSNNY-RBSFLKMASA-N 2 0 360.524 -0.201 20 0 FBADRP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001206986542 844021482 /nfs/dbraw/zinc/02/14/82/844021482.db2.gz XGJOVUWAKVARBV-GDBMZVCRSA-N 2 0 353.467 -0.496 20 0 FBADRP COC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001206986565 844022590 /nfs/dbraw/zinc/02/25/90/844022590.db2.gz ZBCBKHLSFFATCP-IIAWOOMASA-N 2 0 353.467 -0.498 20 0 FBADRP COC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001206986566 844021995 /nfs/dbraw/zinc/02/19/95/844021995.db2.gz ZBCBKHLSFFATCP-IJEWVQPXSA-N 2 0 353.467 -0.498 20 0 FBADRP CC(=O)NCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001206992710 844022017 /nfs/dbraw/zinc/02/20/17/844022017.db2.gz CGLSRHSHACGFNS-MUIFIZLQSA-N 2 0 354.495 -0.084 20 0 FBADRP CN(C)C(=O)CN1C[C@H]2CC[N@H+](CC3CC[NH2+]CC3)CC[C@H]2S1(=O)=O ZINC001207437362 844043033 /nfs/dbraw/zinc/04/30/33/844043033.db2.gz VLHSEEOTBVRAAU-HZPDHXFCSA-N 2 0 372.535 -0.200 20 0 FBADRP C[NH+](C)CCN1CC[N@H+](CC2CCN(S(C)(=O)=O)CC2)CCC1=O ZINC001207447835 844043849 /nfs/dbraw/zinc/04/38/49/844043849.db2.gz GONCKQLGDKABPD-UHFFFAOYSA-N 2 0 360.524 -0.246 20 0 FBADRP CN(C)CC(=O)N[C@@H]1CCC[N@H+](CC2CCN(S(C)(=O)=O)CC2)C1 ZINC001207450240 844044103 /nfs/dbraw/zinc/04/41/03/844044103.db2.gz FVQGWAGHBUQABI-OAHLLOKOSA-N 2 0 360.524 -0.200 20 0 FBADRP COCCOC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH]cn2)C1 ZINC001207454363 844044933 /nfs/dbraw/zinc/04/49/33/844044933.db2.gz UPHLEQUDTYZLFO-FVQBIDKESA-N 2 0 354.451 -0.197 20 0 FBADRP COCCOC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH]cn2)C1 ZINC001207454364 844044203 /nfs/dbraw/zinc/04/42/03/844044203.db2.gz UPHLEQUDTYZLFO-VNQPRFMTSA-N 2 0 354.451 -0.197 20 0 FBADRP CC(=O)NCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH]cn2)C1 ZINC001207454460 844044290 /nfs/dbraw/zinc/04/42/90/844044290.db2.gz XPCDPNWSRVNJAN-CZUORRHYSA-N 2 0 351.451 -0.069 20 0 FBADRP COCCOC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001207545170 844045988 /nfs/dbraw/zinc/04/59/88/844045988.db2.gz IRVCWQMVSXNLIJ-BZUAXINKSA-N 2 0 357.495 -0.069 20 0 FBADRP COCCOC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001207545171 844046112 /nfs/dbraw/zinc/04/61/12/844046112.db2.gz IRVCWQMVSXNLIJ-OWCLPIDISA-N 2 0 357.495 -0.069 20 0 FBADRP C[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001207547453 844046697 /nfs/dbraw/zinc/04/66/97/844046697.db2.gz XBROPLAUGNYDAQ-CHWSQXEVSA-N 2 0 351.451 -0.541 20 0 FBADRP CC(=O)NCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001207550606 844047715 /nfs/dbraw/zinc/04/77/15/844047715.db2.gz BZFQKFNNBOJMSS-KBRIMQKVSA-N 2 0 354.495 -0.084 20 0 FBADRP CC(=O)NCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001207550607 844047812 /nfs/dbraw/zinc/04/78/12/844047812.db2.gz BZFQKFNNBOJMSS-XYPHTWIQSA-N 2 0 354.495 -0.084 20 0 FBADRP C[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001207551021 844046543 /nfs/dbraw/zinc/04/65/43/844046543.db2.gz QNNCVFXPPULBLT-KYOSRNDESA-N 2 0 351.451 -0.685 20 0 FBADRP C[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001207551022 844047297 /nfs/dbraw/zinc/04/72/97/844047297.db2.gz QNNCVFXPPULBLT-UXIGCNINSA-N 2 0 351.451 -0.685 20 0 FBADRP C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001207554176 844047633 /nfs/dbraw/zinc/04/76/33/844047633.db2.gz XUVGLXUPZGOQAS-MRRJBJDNSA-N 2 0 350.463 -0.088 20 0 FBADRP C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001207554177 844047892 /nfs/dbraw/zinc/04/78/92/844047892.db2.gz XUVGLXUPZGOQAS-SUYBPPKGSA-N 2 0 350.463 -0.088 20 0 FBADRP COCCOC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001207568191 844048297 /nfs/dbraw/zinc/04/82/97/844048297.db2.gz UOBGFLKMFPEEON-DJIMGWMZSA-N 2 0 357.495 -0.069 20 0 FBADRP COCCOC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001207568192 844048874 /nfs/dbraw/zinc/04/88/74/844048874.db2.gz UOBGFLKMFPEEON-HYVNUMGLSA-N 2 0 357.495 -0.069 20 0 FBADRP C[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001207571580 844048115 /nfs/dbraw/zinc/04/81/15/844048115.db2.gz CUTJOQJBAYMHBL-TZMCWYRMSA-N 2 0 351.451 -0.541 20 0 FBADRP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1C)[NH+](C)C ZINC001207653192 844052598 /nfs/dbraw/zinc/05/25/98/844052598.db2.gz YBUKKIYGOIJYDG-NFAWXSAZSA-N 2 0 353.467 -0.439 20 0 FBADRP CC[C@H](C(=O)N[C@@H]1C[N@H+](C[C@H](O)CN2CCCC2=O)C[C@H]1C)[NH+](C)C ZINC001207697429 844056643 /nfs/dbraw/zinc/05/66/43/844056643.db2.gz AJAATDWMUYODLS-QKPAOTATSA-N 2 0 354.495 -0.254 20 0 FBADRP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCCN2C(=O)CNC2=O)C[C@H]1C)[NH+](C)C ZINC001207698130 844055960 /nfs/dbraw/zinc/05/59/60/844055960.db2.gz UGVVAEWLXVPNLT-MGPQQGTHSA-N 2 0 353.467 -0.295 20 0 FBADRP COC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001207706282 844055875 /nfs/dbraw/zinc/05/58/75/844055875.db2.gz XIKIQWXZMPTFFK-BZUAXINKSA-N 2 0 357.495 -0.211 20 0 FBADRP COC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001207706287 844057127 /nfs/dbraw/zinc/05/71/27/844057127.db2.gz XIKIQWXZMPTFFK-OWCLPIDISA-N 2 0 357.495 -0.211 20 0 FBADRP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001207706361 844056480 /nfs/dbraw/zinc/05/64/80/844056480.db2.gz XVQOCKZUEBWVKP-HZPDHXFCSA-N 2 0 357.495 -0.210 20 0 FBADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@H]1C ZINC001207750779 844061502 /nfs/dbraw/zinc/06/15/02/844061502.db2.gz YECIYBQAPMUIDZ-CHWSQXEVSA-N 2 0 353.467 -0.295 20 0 FBADRP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001208036336 844074106 /nfs/dbraw/zinc/07/41/06/844074106.db2.gz GZLJGGCXRFPTNK-HCBPCCMXSA-N 2 0 353.463 -0.705 20 0 FBADRP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001208036337 844073784 /nfs/dbraw/zinc/07/37/84/844073784.db2.gz GZLJGGCXRFPTNK-MYPHYYIGSA-N 2 0 353.463 -0.705 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH2+]CCN(C)S(C)(=O)=O)C2)CC[N@@H+]1C ZINC001208070040 844076507 /nfs/dbraw/zinc/07/65/07/844076507.db2.gz BKYSGUSKVYEIBM-QLFBSQMISA-N 2 0 360.524 -0.201 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH2+]CCN(C)S(C)(=O)=O)C2)CC[N@@H+]1C ZINC001208070041 844077069 /nfs/dbraw/zinc/07/70/69/844077069.db2.gz BKYSGUSKVYEIBM-RBSFLKMASA-N 2 0 360.524 -0.201 20 0 FBADRP CCS(=O)(=O)NCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001208070116 844076045 /nfs/dbraw/zinc/07/60/45/844076045.db2.gz DGQYNLIVEPULRI-QLFBSQMISA-N 2 0 360.524 -0.154 20 0 FBADRP CCS(=O)(=O)NCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001208070117 844077010 /nfs/dbraw/zinc/07/70/10/844077010.db2.gz DGQYNLIVEPULRI-RBSFLKMASA-N 2 0 360.524 -0.154 20 0 FBADRP CCNC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001208070200 844076540 /nfs/dbraw/zinc/07/65/40/844076540.db2.gz GHRQYAAOXOGUSB-HZSPNIEDSA-N 2 0 353.467 -0.247 20 0 FBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001208070201 844077031 /nfs/dbraw/zinc/07/70/31/844077031.db2.gz GHRQYAAOXOGUSB-MGPQQGTHSA-N 2 0 353.467 -0.247 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001208073311 844076234 /nfs/dbraw/zinc/07/62/34/844076234.db2.gz HXBQIMKGCZBBPK-QLFBSQMISA-N 2 0 360.524 -0.154 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]CCNS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001208073312 844076102 /nfs/dbraw/zinc/07/61/02/844076102.db2.gz HXBQIMKGCZBBPK-SOUVJXGZSA-N 2 0 360.524 -0.154 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)NC(=O)NC)C2)CC[N@@H+]1C ZINC001208073329 844076581 /nfs/dbraw/zinc/07/65/81/844076581.db2.gz IGKDBXLJRPQPNJ-HZSPNIEDSA-N 2 0 353.467 -0.247 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)NC(=O)NC)C2)CC[N@@H+]1C ZINC001208073330 844076446 /nfs/dbraw/zinc/07/64/46/844076446.db2.gz IGKDBXLJRPQPNJ-MELADBBJSA-N 2 0 353.467 -0.247 20 0 FBADRP C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208427799 844097191 /nfs/dbraw/zinc/09/71/91/844097191.db2.gz FJGQNOMNIHOKMT-ZIAGYGMSSA-N 2 0 350.463 -0.086 20 0 FBADRP CC(=O)NCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208434851 844098293 /nfs/dbraw/zinc/09/82/93/844098293.db2.gz FKMLYXSZJIQUOD-GDBMZVCRSA-N 2 0 354.495 -0.083 20 0 FBADRP C[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208434994 844098026 /nfs/dbraw/zinc/09/80/26/844098026.db2.gz NECNDXPDYZFVPO-CHWSQXEVSA-N 2 0 351.451 -0.684 20 0 FBADRP COCCOC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208435116 844096961 /nfs/dbraw/zinc/09/69/61/844096961.db2.gz SURSXHXFUOHDHG-BZUAXINKSA-N 2 0 357.495 -0.211 20 0 FBADRP COCCOC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208435117 844097598 /nfs/dbraw/zinc/09/75/98/844097598.db2.gz SURSXHXFUOHDHG-OWCLPIDISA-N 2 0 357.495 -0.211 20 0 FBADRP C[C@@H]1C[N@H+](CCCN2C(=O)CNC2=O)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208447475 844099914 /nfs/dbraw/zinc/09/99/14/844099914.db2.gz GYKWAJMHIWOLLP-ZIAGYGMSSA-N 2 0 353.467 -0.293 20 0 FBADRP C[C@@H]1C[N@H+](C[C@H](O)CN2CCCC2=O)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208447666 844098978 /nfs/dbraw/zinc/09/89/78/844098978.db2.gz KNDFQYRKMHLVHE-OWCLPIDISA-N 2 0 354.495 -0.252 20 0 FBADRP COCCOC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001208484896 844101884 /nfs/dbraw/zinc/10/18/84/844101884.db2.gz CDDRUIYBPQXTPD-DJIMGWMZSA-N 2 0 357.495 -0.211 20 0 FBADRP COCCOC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001208484898 844102539 /nfs/dbraw/zinc/10/25/39/844102539.db2.gz CDDRUIYBPQXTPD-HYVNUMGLSA-N 2 0 357.495 -0.211 20 0 FBADRP CC(=O)NCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001208485162 844103400 /nfs/dbraw/zinc/10/34/00/844103400.db2.gz GYLIJPGTYWOPJI-RHSMWYFYSA-N 2 0 354.495 -0.083 20 0 FBADRP C[C@@H]1C[N@H+](CCN2C(=O)NC(C)(C)C2=O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208485968 844103733 /nfs/dbraw/zinc/10/37/33/844103733.db2.gz YMHKJLFMVSVMIP-CHWSQXEVSA-N 2 0 353.467 -0.295 20 0 FBADRP C[C@@H]1C[N@H+](C[C@@H]2CCN(S(C)(=O)=O)C2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208494118 844104054 /nfs/dbraw/zinc/10/40/54/844104054.db2.gz GREHLEVBRBIFBL-QLFBSQMISA-N 2 0 360.524 -0.344 20 0 FBADRP C[C@@H]1C[N@H+](C[C@H]2CCN(S(C)(=O)=O)C2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208494119 844103495 /nfs/dbraw/zinc/10/34/95/844103495.db2.gz GREHLEVBRBIFBL-RBSFLKMASA-N 2 0 360.524 -0.344 20 0 FBADRP C[C@@H]1C[N@H+](C[C@@H](O)COC2CCOCC2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208496020 844104120 /nfs/dbraw/zinc/10/41/20/844104120.db2.gz HAQYXBNMYJHBDK-BFYDXBDKSA-N 2 0 357.495 -0.069 20 0 FBADRP C[C@@H]1C[N@H+](C[C@H](O)COC2CCOCC2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208496021 844103757 /nfs/dbraw/zinc/10/37/57/844103757.db2.gz HAQYXBNMYJHBDK-HLLBOEOZSA-N 2 0 357.495 -0.069 20 0 FBADRP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1C)[NH+](C)C ZINC001208515660 844104157 /nfs/dbraw/zinc/10/41/57/844104157.db2.gz YBUKKIYGOIJYDG-UMVBOHGHSA-N 2 0 353.467 -0.439 20 0 FBADRP CC(=O)NCCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001208590019 844109993 /nfs/dbraw/zinc/10/99/93/844109993.db2.gz AGAUXRBSNSBETM-BFYDXBDKSA-N 2 0 354.495 -0.083 20 0 FBADRP CC(=O)NCCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001208590022 844110207 /nfs/dbraw/zinc/11/02/07/844110207.db2.gz AGAUXRBSNSBETM-ZMSDIMECSA-N 2 0 354.495 -0.083 20 0 FBADRP CC[C@@H](C(=O)N[C@@H]1C[N@H+](C[C@H](O)CN2CCCC2=O)C[C@H]1C)[NH+](C)C ZINC001208698507 844113541 /nfs/dbraw/zinc/11/35/41/844113541.db2.gz AJAATDWMUYODLS-QXSJWSMHSA-N 2 0 354.495 -0.254 20 0 FBADRP CCCNC(=O)NC(=O)CN1C[C@@H](C)[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001208698956 844113462 /nfs/dbraw/zinc/11/34/62/844113462.db2.gz IJNVYBGLOGPASK-MCIONIFRSA-N 2 0 355.483 -0.001 20 0 FBADRP CC[C@@H](C(=O)N[C@@H]1CN(CCN2CCCS2(=O)=O)C[C@H]1C)[NH+](C)C ZINC001208699097 844113116 /nfs/dbraw/zinc/11/31/16/844113116.db2.gz LWGNCQNXEZVIDE-KFWWJZLASA-N 2 0 360.524 -0.201 20 0 FBADRP CC[C@@H](C(=O)N[C@@H]1CN(CC(=O)NC(=O)NC2CC2)C[C@H]1C)[NH+](C)C ZINC001208699403 844113269 /nfs/dbraw/zinc/11/32/69/844113269.db2.gz POASZUMTJBBQKY-BNOWGMLFSA-N 2 0 353.467 -0.249 20 0 FBADRP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCCN2C(=O)CNC2=O)C[C@H]1C)[NH+](C)C ZINC001208699790 844112827 /nfs/dbraw/zinc/11/28/27/844112827.db2.gz UGVVAEWLXVPNLT-MCIONIFRSA-N 2 0 353.467 -0.295 20 0 FBADRP COC(=O)[C@@H](C)C[NH+]1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001208711315 844112658 /nfs/dbraw/zinc/11/26/58/844112658.db2.gz DBFSDLKPLZKYTB-HNNXBMFYSA-N 2 0 354.495 -0.034 20 0 FBADRP COC(=O)[C@H](C)C[NH+]1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001208711329 844113504 /nfs/dbraw/zinc/11/35/04/844113504.db2.gz DBFSDLKPLZKYTB-OAHLLOKOSA-N 2 0 354.495 -0.034 20 0 FBADRP C[C@H](COCC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1C)[NH+]1CCCC1 ZINC001208739096 844114401 /nfs/dbraw/zinc/11/44/01/844114401.db2.gz NMNFXGUPWVDZPL-BRWVUGGUSA-N 2 0 357.495 -0.067 20 0 FBADRP C[C@@H](COCC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1C)[NH+]1CCCC1 ZINC001208739097 844114277 /nfs/dbraw/zinc/11/42/77/844114277.db2.gz NMNFXGUPWVDZPL-IXDOHACOSA-N 2 0 357.495 -0.067 20 0 FBADRP CNC(=O)NC(=O)CN1C[C@@H](C)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001209149886 844134346 /nfs/dbraw/zinc/13/43/46/844134346.db2.gz IHHAQNLOXUEMOF-TZMCWYRMSA-N 2 0 353.467 -0.390 20 0 FBADRP C[C@@H](C(=O)NC(N)=O)N1C[C@@H](C)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001209149911 844133781 /nfs/dbraw/zinc/13/37/81/844133781.db2.gz JOZXRLLEQKCIAZ-MBNYWOFBSA-N 2 0 353.467 -0.262 20 0 FBADRP C[C@H](C(=O)NC(N)=O)N1C[C@@H](C)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001209149915 844133949 /nfs/dbraw/zinc/13/39/49/844133949.db2.gz JOZXRLLEQKCIAZ-YRGRVCCFSA-N 2 0 353.467 -0.262 20 0 FBADRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2C[C@@H]1OC(C)(C)O[C@@H]1[C@H](O)CO ZINC001209272798 844137497 /nfs/dbraw/zinc/13/74/97/844137497.db2.gz KWKMDAXCXHAFEO-JZAWBGDQSA-N 2 0 357.495 -0.430 20 0 FBADRP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+](CCN3CCOCC3)CC[C@@H]2C1 ZINC001209289335 844140547 /nfs/dbraw/zinc/14/05/47/844140547.db2.gz AYUXFZPCTNQHIT-IAGOWNOFSA-N 2 0 354.495 -0.571 20 0 FBADRP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001209328193 844142094 /nfs/dbraw/zinc/14/20/94/844142094.db2.gz WHQZGNAMMGIPGT-GDBMZVCRSA-N 2 0 353.467 -0.496 20 0 FBADRP COC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001209328202 844141853 /nfs/dbraw/zinc/14/18/53/844141853.db2.gz WTKDWUCKBUVIEN-FVQBIDKESA-N 2 0 353.467 -0.498 20 0 FBADRP COC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001209328203 844141642 /nfs/dbraw/zinc/14/16/42/844141642.db2.gz WTKDWUCKBUVIEN-VNQPRFMTSA-N 2 0 353.467 -0.498 20 0 FBADRP COC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCCN2CCOCC2)C1 ZINC001209478549 844150095 /nfs/dbraw/zinc/15/00/95/844150095.db2.gz VYDDFWSILAFYQN-BRWVUGGUSA-N 2 0 357.495 -0.067 20 0 FBADRP COC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCCN2CCOCC2)C1 ZINC001209478551 844149757 /nfs/dbraw/zinc/14/97/57/844149757.db2.gz VYDDFWSILAFYQN-IXDOHACOSA-N 2 0 357.495 -0.067 20 0 FBADRP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)CCCCN1CCOCC1 ZINC001209478644 844150233 /nfs/dbraw/zinc/15/02/33/844150233.db2.gz XHYWCLOEMHTIRO-IAGOWNOFSA-N 2 0 357.495 -0.066 20 0 FBADRP C[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001209835875 844164634 /nfs/dbraw/zinc/16/46/34/844164634.db2.gz CXAFMFNBADPKEV-GDBMZVCRSA-N 2 0 350.467 -0.175 20 0 FBADRP C[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001209836786 844163884 /nfs/dbraw/zinc/16/38/84/844163884.db2.gz QXJVNFVNVNMTBT-BMFZPTHFSA-N 2 0 352.479 -0.188 20 0 FBADRP C[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001209836788 844164666 /nfs/dbraw/zinc/16/46/66/844164666.db2.gz QXJVNFVNVNMTBT-FVQBIDKESA-N 2 0 352.479 -0.188 20 0 FBADRP CC[N@H+](C)CCC(=O)N[C@@H]1CN(CC(=O)NC[C@H]2CCOC2)C[C@H]1C ZINC001210040410 844170612 /nfs/dbraw/zinc/17/06/12/844170612.db2.gz GXEHKRGTHKSPPH-BZUAXINKSA-N 2 0 354.495 -0.083 20 0 FBADRP CC[N@H+](C)CCC(=O)N[C@@H]1CN(CC(=O)NC[C@@H]2CCOC2)C[C@H]1C ZINC001210040411 844171205 /nfs/dbraw/zinc/17/12/05/844171205.db2.gz GXEHKRGTHKSPPH-OWCLPIDISA-N 2 0 354.495 -0.083 20 0 FBADRP CC(=O)NCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001210276533 844182376 /nfs/dbraw/zinc/18/23/76/844182376.db2.gz KNHCIYNYEDRKHX-DJIMGWMZSA-N 2 0 354.495 -0.083 20 0 FBADRP 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/nfs/dbraw/zinc/53/15/08/837531508.db2.gz UVRHSXWQDQXJCH-BZUAXINKSA-N 2 0 355.479 -0.315 20 0 FBADRP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCOCCNC(C)=O)C[C@H]1OC)[NH+](C)C ZINC001212463180 837534917 /nfs/dbraw/zinc/53/49/17/837534917.db2.gz VGFJCSZPLZGIOP-BZUAXINKSA-N 2 0 358.483 -0.705 20 0 FBADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN([C@H](C)C(=O)NC(N)=O)C[C@H]1OC ZINC001212483105 837544123 /nfs/dbraw/zinc/54/41/23/837544123.db2.gz BHTYNJDWIPYGNF-IJLUTSLNSA-N 2 0 357.455 -0.885 20 0 FBADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN([C@@H](C)C(=O)NC(N)=O)C[C@H]1OC ZINC001212483106 837543702 /nfs/dbraw/zinc/54/37/02/837543702.db2.gz BHTYNJDWIPYGNF-QJPTWQEYSA-N 2 0 357.455 -0.885 20 0 FBADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN(CCN2CCNC2=O)C[C@H]1OC ZINC001212483371 837543840 /nfs/dbraw/zinc/54/38/40/837543840.db2.gz HRWKEORQYAQCHV-ZIAGYGMSSA-N 2 0 355.483 -0.443 20 0 FBADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1OC ZINC001212483717 837543954 /nfs/dbraw/zinc/54/39/54/837543954.db2.gz POYOSIRFTZHKMQ-CHWSQXEVSA-N 2 0 364.512 -0.919 20 0 FBADRP CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)[C@@H]1CCc2cncn2C1 ZINC001212483806 837543255 /nfs/dbraw/zinc/54/32/55/837543255.db2.gz UBDSJBBXLXNWQF-FVQBIDKESA-N 2 0 352.435 -0.730 20 0 FBADRP COCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@H](OC)C1 ZINC001213190112 844251538 /nfs/dbraw/zinc/25/15/38/844251538.db2.gz MMWVEBUPWSLKJY-DSZOFWSKSA-N 2 0 353.463 -0.299 20 0 FBADRP COCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@H](OC)C1 ZINC001213190113 844252349 /nfs/dbraw/zinc/25/23/49/844252349.db2.gz MMWVEBUPWSLKJY-YLADIXGZSA-N 2 0 353.463 -0.299 20 0 FBADRP CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@H](OC)C1 ZINC001213192742 844251639 /nfs/dbraw/zinc/25/16/39/844251639.db2.gz WVUVKSGOGPTQCC-DSZOFWSKSA-N 2 0 353.463 -0.299 20 0 FBADRP CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@H](OC)C1 ZINC001213192744 844252536 /nfs/dbraw/zinc/25/25/36/844252536.db2.gz WVUVKSGOGPTQCC-YLADIXGZSA-N 2 0 353.463 -0.299 20 0 FBADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CCOCCO)C[C@H]2OC)C1 ZINC001213322648 844274091 /nfs/dbraw/zinc/27/40/91/844274091.db2.gz MOLJGRHMUYYSQQ-BRWVUGGUSA-N 2 0 357.495 -0.067 20 0 FBADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CCOCCO)C[C@H]2OC)C1 ZINC001213322649 844273920 /nfs/dbraw/zinc/27/39/20/844273920.db2.gz MOLJGRHMUYYSQQ-GVDBMIGSSA-N 2 0 357.495 -0.067 20 0 FBADRP CO[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346195 844279508 /nfs/dbraw/zinc/27/95/08/844279508.db2.gz BBWIHDVJEDNJCW-ARFHVFGLSA-N 2 0 353.467 -0.599 20 0 FBADRP CO[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346196 844279314 /nfs/dbraw/zinc/27/93/14/844279314.db2.gz BBWIHDVJEDNJCW-BZUAXINKSA-N 2 0 353.467 -0.599 20 0 FBADRP COCCOC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C1 ZINC001213348644 844280778 /nfs/dbraw/zinc/28/07/78/844280778.db2.gz QPKDZULZYRXKLV-ARFHVFGLSA-N 2 0 361.483 -0.833 20 0 FBADRP COCCOC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C1 ZINC001213348651 844281154 /nfs/dbraw/zinc/28/11/54/844281154.db2.gz QPKDZULZYRXKLV-BZUAXINKSA-N 2 0 361.483 -0.833 20 0 FBADRP CO[C@@H]1C[N@H+](CCOCCNC(C)=O)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213348716 844281326 /nfs/dbraw/zinc/28/13/26/844281326.db2.gz SOVUETRLJKQNKD-HZPDHXFCSA-N 2 0 358.483 -0.704 20 0 FBADRP CO[C@@H]1C[N@H+](C[C@H]2CCc3ncnn32)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213348878 844280692 /nfs/dbraw/zinc/28/06/92/844280692.db2.gz YFJGILNKZYXYLT-RBSFLKMASA-N 2 0 350.467 -0.077 20 0 FBADRP CO[C@@H]1C[N@H+](C[C@@H]2CCc3ncnn32)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213348879 844281187 /nfs/dbraw/zinc/28/11/87/844281187.db2.gz YFJGILNKZYXYLT-RRFJBIMHSA-N 2 0 350.467 -0.077 20 0 FBADRP CO[C@@H]1C[N@H+](CCCNC(=O)C(F)(F)F)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213376930 844286031 /nfs/dbraw/zinc/28/60/31/844286031.db2.gz OEQAUIHZVYNSLJ-VXGBXAGGSA-N 2 0 368.400 -0.178 20 0 FBADRP CO[C@@H]1C[N@H+](C[C@@H](O)COCC(F)(F)F)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378630 844287497 /nfs/dbraw/zinc/28/74/97/844287497.db2.gz ZSRFOZLMTAEDIR-JHJVBQTASA-N 2 0 371.400 -0.307 20 0 FBADRP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCOCCNC(C)=O)C[C@H]1OC)[NH+](C)C ZINC001213458365 844301166 /nfs/dbraw/zinc/30/11/66/844301166.db2.gz VGFJCSZPLZGIOP-OWCLPIDISA-N 2 0 358.483 -0.705 20 0 FBADRP CCOCC[N@@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](OC)C1 ZINC001213555189 844325763 /nfs/dbraw/zinc/32/57/63/844325763.db2.gz AWFQWBVABPVXBJ-HZPDHXFCSA-N 2 0 353.467 -0.090 20 0 FBADRP COCCC[N@@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](OC)C1 ZINC001213555618 844326262 /nfs/dbraw/zinc/32/62/62/844326262.db2.gz XAVSRBSPJXZZMU-HZPDHXFCSA-N 2 0 353.467 -0.090 20 0 FBADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1OC ZINC001213598160 844340269 /nfs/dbraw/zinc/34/02/69/844340269.db2.gz ADXRUWKXHMNQBB-ARFHVFGLSA-N 2 0 353.467 -0.599 20 0 FBADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1OC ZINC001213598161 844339911 /nfs/dbraw/zinc/33/99/11/844339911.db2.gz ADXRUWKXHMNQBB-BZUAXINKSA-N 2 0 353.467 -0.599 20 0 FBADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)COCCOC)C[C@H]1OC ZINC001213598621 844340192 /nfs/dbraw/zinc/34/01/92/844340192.db2.gz JGHNYDKMOGTDFS-ARFHVFGLSA-N 2 0 361.483 -0.833 20 0 FBADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COCCOC)C[C@H]1OC ZINC001213598623 844340349 /nfs/dbraw/zinc/34/03/49/844340349.db2.gz JGHNYDKMOGTDFS-BZUAXINKSA-N 2 0 361.483 -0.833 20 0 FBADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@H]2CCc3ncnn32)C[C@H]1OC ZINC001213598999 844339373 /nfs/dbraw/zinc/33/93/73/844339373.db2.gz PPVAXJWNVISOCQ-RBSFLKMASA-N 2 0 350.467 -0.077 20 0 FBADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCc3ncnn32)C[C@H]1OC ZINC001213599001 844339452 /nfs/dbraw/zinc/33/94/52/844339452.db2.gz PPVAXJWNVISOCQ-RRFJBIMHSA-N 2 0 350.467 -0.077 20 0 FBADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCOCCNC(C)=O)C[C@H]1OC ZINC001213599073 844340229 /nfs/dbraw/zinc/34/02/29/844340229.db2.gz SFPKSTHEYWKHOG-HZPDHXFCSA-N 2 0 358.483 -0.704 20 0 FBADRP CO[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001213638415 844346548 /nfs/dbraw/zinc/34/65/48/844346548.db2.gz NNYFFKMYNLBJJJ-DJIMGWMZSA-N 2 0 355.479 -0.051 20 0 FBADRP CO[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001213638416 844347473 /nfs/dbraw/zinc/34/74/73/844347473.db2.gz NNYFFKMYNLBJJJ-USXIJHARSA-N 2 0 355.479 -0.051 20 0 FBADRP CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001213655312 844353680 /nfs/dbraw/zinc/35/36/80/844353680.db2.gz NDTCTRIDOZNIOJ-IAGOWNOFSA-N 2 0 357.495 -0.069 20 0 FBADRP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H](OC)C1 ZINC001213655673 844353949 /nfs/dbraw/zinc/35/39/49/844353949.db2.gz XMVZEMOKVBCXCT-BRWVUGGUSA-N 2 0 357.495 -0.071 20 0 FBADRP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H](OC)C1 ZINC001213655674 844353229 /nfs/dbraw/zinc/35/32/29/844353229.db2.gz XMVZEMOKVBCXCT-GVDBMIGSSA-N 2 0 357.495 -0.071 20 0 FBADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)Cn2cccn2)C[C@H]1OC ZINC001213671566 844356694 /nfs/dbraw/zinc/35/66/94/844356694.db2.gz MNMYCGGJCHSCEE-ARFHVFGLSA-N 2 0 353.467 -0.599 20 0 FBADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)Cn2cccn2)C[C@H]1OC ZINC001213671567 844356173 /nfs/dbraw/zinc/35/61/73/844356173.db2.gz MNMYCGGJCHSCEE-BZUAXINKSA-N 2 0 353.467 -0.599 20 0 FBADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H]2CCc3ncnn32)C[C@H]1OC ZINC001213678222 844358215 /nfs/dbraw/zinc/35/82/15/844358215.db2.gz KMIPLEBSMNKLKT-RBSFLKMASA-N 2 0 350.467 -0.077 20 0 FBADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H]2CCc3ncnn32)C[C@H]1OC ZINC001213678223 844358146 /nfs/dbraw/zinc/35/81/46/844358146.db2.gz KMIPLEBSMNKLKT-RRFJBIMHSA-N 2 0 350.467 -0.077 20 0 FBADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOCCNC(C)=O)C[C@H]1OC ZINC001213678360 844358889 /nfs/dbraw/zinc/35/88/89/844358889.db2.gz RCMKQRDEGNREJX-HZPDHXFCSA-N 2 0 358.483 -0.704 20 0 FBADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)COCCOC)C[C@H]1OC ZINC001213678510 844357990 /nfs/dbraw/zinc/35/79/90/844357990.db2.gz ZVASEHJYYPIFAB-ARFHVFGLSA-N 2 0 361.483 -0.833 20 0 FBADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)COCCOC)C[C@H]1OC ZINC001213678511 844358426 /nfs/dbraw/zinc/35/84/26/844358426.db2.gz ZVASEHJYYPIFAB-BZUAXINKSA-N 2 0 361.483 -0.833 20 0 FBADRP CO[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730196 844372791 /nfs/dbraw/zinc/37/27/91/844372791.db2.gz IEQNZLGEUUQBKL-HZPDHXFCSA-N 2 0 353.467 -0.644 20 0 FBADRP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H](OC)C1 ZINC001213730736 844373657 /nfs/dbraw/zinc/37/36/57/844373657.db2.gz WJLZZECXWZUTKN-JGGQBBKZSA-N 2 0 352.435 -0.416 20 0 FBADRP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H](OC)C1 ZINC001213730737 844373705 /nfs/dbraw/zinc/37/37/05/844373705.db2.gz WJLZZECXWZUTKN-XNRPHZJLSA-N 2 0 352.435 -0.416 20 0 FBADRP CO[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730842 844373832 /nfs/dbraw/zinc/37/38/32/844373832.db2.gz ZIRWHMUDAAXUKP-HZPDHXFCSA-N 2 0 353.467 -0.644 20 0 FBADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)Cn2cccn2)C[C@H]1OC ZINC001213759579 844380130 /nfs/dbraw/zinc/38/01/30/844380130.db2.gz RWBBKYJXNYVENG-ARFHVFGLSA-N 2 0 353.467 -0.599 20 0 FBADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)Cn2cccn2)C[C@H]1OC ZINC001213759580 844379537 /nfs/dbraw/zinc/37/95/37/844379537.db2.gz RWBBKYJXNYVENG-BZUAXINKSA-N 2 0 353.467 -0.599 20 0 FBADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCOCCNC(C)=O)C[C@H]1OC ZINC001213767240 844381570 /nfs/dbraw/zinc/38/15/70/844381570.db2.gz KCMHBYLPFVWVPI-HZPDHXFCSA-N 2 0 358.483 -0.704 20 0 FBADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)COCCOC)C[C@H]1OC ZINC001213767412 844382914 /nfs/dbraw/zinc/38/29/14/844382914.db2.gz RWWTYSQBQHBVED-ARFHVFGLSA-N 2 0 361.483 -0.833 20 0 FBADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)COCCOC)C[C@H]1OC ZINC001213767413 844383722 /nfs/dbraw/zinc/38/37/22/844383722.db2.gz RWWTYSQBQHBVED-BZUAXINKSA-N 2 0 361.483 -0.833 20 0 FBADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H]2CCc3ncnn32)C[C@H]1OC ZINC001213767533 844383891 /nfs/dbraw/zinc/38/38/91/844383891.db2.gz YSIYKZWVNMOEPJ-RBSFLKMASA-N 2 0 350.467 -0.077 20 0 FBADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H]2CCc3ncnn32)C[C@H]1OC ZINC001213767534 844382807 /nfs/dbraw/zinc/38/28/07/844382807.db2.gz YSIYKZWVNMOEPJ-RRFJBIMHSA-N 2 0 350.467 -0.077 20 0 FBADRP CO[C@@H]1CN([C@@H]2CCN(C)C2=O)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001213916648 844417033 /nfs/dbraw/zinc/41/70/33/844417033.db2.gz BRUDPMPTMQDOCX-BZUAXINKSA-N 2 0 352.479 -0.092 20 0 FBADRP CO[C@@H]1CN([C@H]2CCN(C)C2=O)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001213916649 844416966 /nfs/dbraw/zinc/41/69/66/844416966.db2.gz BRUDPMPTMQDOCX-OWCLPIDISA-N 2 0 352.479 -0.092 20 0 FBADRP CO[C@@H]1C[N@H+](CCOCCNC(C)=O)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213929553 844421402 /nfs/dbraw/zinc/42/14/02/844421402.db2.gz AXEKCTDTIWYFJB-HZPDHXFCSA-N 2 0 358.483 -0.705 20 0 FBADRP COCCOC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](OC)C1 ZINC001213929620 844421196 /nfs/dbraw/zinc/42/11/96/844421196.db2.gz DXYMYMZFWNQBTH-ARFHVFGLSA-N 2 0 361.483 -0.834 20 0 FBADRP COCCOC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](OC)C1 ZINC001213929621 844421067 /nfs/dbraw/zinc/42/10/67/844421067.db2.gz DXYMYMZFWNQBTH-BZUAXINKSA-N 2 0 361.483 -0.834 20 0 FBADRP CO[C@@H]1C[N@H+](C[C@H]2CCc3ncnn32)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213929659 844420559 /nfs/dbraw/zinc/42/05/59/844420559.db2.gz GEDMXQHMTSWRSF-RBSFLKMASA-N 2 0 350.467 -0.079 20 0 FBADRP CO[C@@H]1C[N@H+](C[C@@H]2CCc3ncnn32)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213929660 844421268 /nfs/dbraw/zinc/42/12/68/844421268.db2.gz GEDMXQHMTSWRSF-RRFJBIMHSA-N 2 0 350.467 -0.079 20 0 FBADRP CO[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213929876 844421134 /nfs/dbraw/zinc/42/11/34/844421134.db2.gz PIQHBLMPKNFPMN-ARFHVFGLSA-N 2 0 353.467 -0.600 20 0 FBADRP CO[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213929877 844420981 /nfs/dbraw/zinc/42/09/81/844420981.db2.gz PIQHBLMPKNFPMN-BZUAXINKSA-N 2 0 353.467 -0.600 20 0 FBADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CCCS(=O)(=O)N(C)C ZINC001214335952 844458047 /nfs/dbraw/zinc/45/80/47/844458047.db2.gz ORJUIRJGGUTDFM-KFWWJZLASA-N 2 0 360.524 -0.201 20 0 FBADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CCCS(=O)(=O)N(C)C ZINC001214335953 844458380 /nfs/dbraw/zinc/45/83/80/844458380.db2.gz ORJUIRJGGUTDFM-RBSFLKMASA-N 2 0 360.524 -0.201 20 0 FBADRP CCS(=O)(=O)NCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001214336005 844457868 /nfs/dbraw/zinc/45/78/68/844457868.db2.gz QNXAGCBSGUXFAW-KFWWJZLASA-N 2 0 360.524 -0.154 20 0 FBADRP CCS(=O)(=O)NCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001214336006 844458600 /nfs/dbraw/zinc/45/86/00/844458600.db2.gz QNXAGCBSGUXFAW-RBSFLKMASA-N 2 0 360.524 -0.154 20 0 FBADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CCCN1C(=O)CNC1=O ZINC001214336155 844458145 /nfs/dbraw/zinc/45/81/45/844458145.db2.gz WDGIUNCVRXBJGG-MCIONIFRSA-N 2 0 351.451 -0.541 20 0 FBADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CCCN1C(=O)CNC1=O ZINC001214336156 844458267 /nfs/dbraw/zinc/45/82/67/844458267.db2.gz WDGIUNCVRXBJGG-MGPQQGTHSA-N 2 0 351.451 -0.541 20 0 FBADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC001214343678 844458301 /nfs/dbraw/zinc/45/83/01/844458301.db2.gz CGXPXHNQACLRIL-BMFZPTHFSA-N 2 0 352.479 -0.188 20 0 FBADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC001214343679 844458006 /nfs/dbraw/zinc/45/80/06/844458006.db2.gz CGXPXHNQACLRIL-FVQBIDKESA-N 2 0 352.479 -0.188 20 0 FBADRP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001214344038 844458487 /nfs/dbraw/zinc/45/84/87/844458487.db2.gz MTZFNHACPSFZPO-MCIONIFRSA-N 2 0 353.467 -0.247 20 0 FBADRP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001214344039 844458081 /nfs/dbraw/zinc/45/80/81/844458081.db2.gz MTZFNHACPSFZPO-MGPQQGTHSA-N 2 0 353.467 -0.247 20 0 FBADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001214344717 844458404 /nfs/dbraw/zinc/45/84/04/844458404.db2.gz XHSDDHIMBBZHGF-BNOWGMLFSA-N 2 0 351.451 -0.495 20 0 FBADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001214344721 844458119 /nfs/dbraw/zinc/45/81/19/844458119.db2.gz XHSDDHIMBBZHGF-MRVWCRGKSA-N 2 0 351.451 -0.495 20 0 FBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001214596973 844477743 /nfs/dbraw/zinc/47/77/43/844477743.db2.gz BMDXVBJOWRFPSZ-MCIONIFRSA-N 2 0 353.467 -0.249 20 0 FBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001214596974 844478138 /nfs/dbraw/zinc/47/81/38/844478138.db2.gz BMDXVBJOWRFPSZ-MGPQQGTHSA-N 2 0 353.467 -0.249 20 0 FBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001214610614 844478679 /nfs/dbraw/zinc/47/86/79/844478679.db2.gz AZBORZJQODMKQS-KFWWJZLASA-N 2 0 360.524 -0.155 20 0 FBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001214610615 844479091 /nfs/dbraw/zinc/47/90/91/844479091.db2.gz AZBORZJQODMKQS-RBSFLKMASA-N 2 0 360.524 -0.155 20 0 FBADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001214634282 844482628 /nfs/dbraw/zinc/48/26/28/844482628.db2.gz IBNTWCKFBFJRTQ-CHWSQXEVSA-N 2 0 353.467 -0.118 20 0 FBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001214646396 844483656 /nfs/dbraw/zinc/48/36/56/844483656.db2.gz RFQBZNCDBVOSQE-KWCYVHTRSA-N 2 0 351.451 -0.780 20 0 FBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001214646397 844483746 /nfs/dbraw/zinc/48/37/46/844483746.db2.gz RFQBZNCDBVOSQE-MRVWCRGKSA-N 2 0 351.451 -0.780 20 0 FBADRP C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001214648314 844484868 /nfs/dbraw/zinc/48/48/68/844484868.db2.gz ICJDKEWMBLEPCR-BPLDGKMQSA-N 2 0 358.508 -0.686 20 0 FBADRP C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001214648315 844485096 /nfs/dbraw/zinc/48/50/96/844485096.db2.gz ICJDKEWMBLEPCR-VHDGCEQUSA-N 2 0 358.508 -0.686 20 0 FBADRP C[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001214655146 844485087 /nfs/dbraw/zinc/48/50/87/844485087.db2.gz AWFUEVIYNWDJOV-UKRRQHHQSA-N 2 0 350.467 -0.417 20 0 FBADRP CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C ZINC001214655185 844485138 /nfs/dbraw/zinc/48/51/38/844485138.db2.gz CNYZAUVXXGDAMZ-UMVBOHGHSA-N 2 0 350.467 -0.371 20 0 FBADRP CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C ZINC001214655186 844484768 /nfs/dbraw/zinc/48/47/68/844484768.db2.gz CNYZAUVXXGDAMZ-VNHYZAJKSA-N 2 0 350.467 -0.371 20 0 FBADRP COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C ZINC001214655243 844484734 /nfs/dbraw/zinc/48/47/34/844484734.db2.gz FFLXXAKJMXXRBG-IIAWOOMASA-N 2 0 353.467 -0.498 20 0 FBADRP COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C ZINC001214655251 844485212 /nfs/dbraw/zinc/48/52/12/844485212.db2.gz FFLXXAKJMXXRBG-IJEWVQPXSA-N 2 0 353.467 -0.498 20 0 FBADRP C[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1[NH2+]CCOCCO ZINC001214655446 844484698 /nfs/dbraw/zinc/48/46/98/844484698.db2.gz LCQHTRWFWPDNTQ-GDBMZVCRSA-N 2 0 353.467 -0.496 20 0 FBADRP C[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1[NH2+]CCS(C)(=O)=O ZINC001214655545 844485078 /nfs/dbraw/zinc/48/50/78/844485078.db2.gz MJADXQFHKWCHQI-UKRRQHHQSA-N 2 0 371.507 -0.461 20 0 FBADRP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C ZINC001214655950 844484852 /nfs/dbraw/zinc/48/48/52/844484852.db2.gz XQLSWJZVKFTIDE-UKRRQHHQSA-N 2 0 350.467 -0.369 20 0 FBADRP CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC001214661765 844484741 /nfs/dbraw/zinc/48/47/41/844484741.db2.gz CHDMWVGMQRRREC-KLHDSHLOSA-N 2 0 354.495 -0.084 20 0 FBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC001214661781 844485108 /nfs/dbraw/zinc/48/51/08/844485108.db2.gz DJYICVDGAFMNRO-AAVRWANBSA-N 2 0 353.467 -0.391 20 0 FBADRP CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC001214663831 844484884 /nfs/dbraw/zinc/48/48/84/844484884.db2.gz FJCJTTREOOXQQA-MUIFIZLQSA-N 2 0 354.495 -0.084 20 0 FBADRP CCS(=O)(=O)NCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC001214663946 844485168 /nfs/dbraw/zinc/48/51/68/844485168.db2.gz GJNSOARSZPJLBK-KBUPBQIOSA-N 2 0 360.524 -0.298 20 0 FBADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1[NH2+]CCN(C)S(C)(=O)=O ZINC001214664102 844484994 /nfs/dbraw/zinc/48/49/94/844484994.db2.gz KWGCXWQGSQUAFJ-KBUPBQIOSA-N 2 0 360.524 -0.346 20 0 FBADRP COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC001214664279 844484526 /nfs/dbraw/zinc/48/45/26/844484526.db2.gz UTCWEBOPRVFTBV-KLHDSHLOSA-N 2 0 354.495 -0.084 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NC)C2)CC[N@@H+]1C ZINC001214665395 844485063 /nfs/dbraw/zinc/48/50/63/844485063.db2.gz AFLZFBNLPJZXOD-XJFOESAGSA-N 2 0 353.467 -0.391 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCNS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001214668007 844485857 /nfs/dbraw/zinc/48/58/57/844485857.db2.gz MNNYACNPIYRVOP-LXTVHRRPSA-N 2 0 360.524 -0.298 20 0 FBADRP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001214755002 844492786 /nfs/dbraw/zinc/49/27/86/844492786.db2.gz NYAFWWLCVPRDKW-HZSPNIEDSA-N 2 0 366.503 -0.348 20 0 FBADRP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001214755003 844492685 /nfs/dbraw/zinc/49/26/85/844492685.db2.gz NYAFWWLCVPRDKW-MGPQQGTHSA-N 2 0 366.503 -0.348 20 0 FBADRP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001214757631 844492138 /nfs/dbraw/zinc/49/21/38/844492138.db2.gz RVEAJRAJSBAFHZ-FRRDWIJNSA-N 2 0 359.446 -0.442 20 0 FBADRP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001214757632 844492222 /nfs/dbraw/zinc/49/22/22/844492222.db2.gz RVEAJRAJSBAFHZ-JHJVBQTASA-N 2 0 359.446 -0.442 20 0 FBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001214779963 844499686 /nfs/dbraw/zinc/49/96/86/844499686.db2.gz FIBDWGQRFTZXJB-MCIONIFRSA-N 2 0 353.467 -0.247 20 0 FBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001214779964 844500233 /nfs/dbraw/zinc/50/02/33/844500233.db2.gz FIBDWGQRFTZXJB-MGPQQGTHSA-N 2 0 353.467 -0.247 20 0 FBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001214780269 844500343 /nfs/dbraw/zinc/50/03/43/844500343.db2.gz SEKZSNBDYBDURX-KFWWJZLASA-N 2 0 360.524 -0.154 20 0 FBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001214780270 844499812 /nfs/dbraw/zinc/49/98/12/844499812.db2.gz SEKZSNBDYBDURX-RBSFLKMASA-N 2 0 360.524 -0.154 20 0 FBADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001214845496 844504184 /nfs/dbraw/zinc/50/41/84/844504184.db2.gz WQNWDXJEOLOGQK-HZSPNIEDSA-N 2 0 353.467 -0.404 20 0 FBADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001214845497 844504438 /nfs/dbraw/zinc/50/44/38/844504438.db2.gz WQNWDXJEOLOGQK-MGPQQGTHSA-N 2 0 353.467 -0.404 20 0 FBADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1[NH2+]CCN(C)S(C)(=O)=O ZINC001214847291 844504618 /nfs/dbraw/zinc/50/46/18/844504618.db2.gz ACRKPFVSQHGQKO-ZIAGYGMSSA-N 2 0 360.524 -0.201 20 0 FBADRP CCS(=O)(=O)NCC[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001214847592 844504460 /nfs/dbraw/zinc/50/44/60/844504460.db2.gz KURXCRUOIUXHJU-ZIAGYGMSSA-N 2 0 360.524 -0.154 20 0 FBADRP CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001214847609 844503759 /nfs/dbraw/zinc/50/37/59/844503759.db2.gz LJWBROCJVCLCIE-FRRDWIJNSA-N 2 0 353.467 -0.249 20 0 FBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001214847610 844504625 /nfs/dbraw/zinc/50/46/25/844504625.db2.gz LJWBROCJVCLCIE-JHJVBQTASA-N 2 0 353.467 -0.249 20 0 FBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001214847654 844504332 /nfs/dbraw/zinc/50/43/32/844504332.db2.gz MSIQXZLUKXLUSH-CHWSQXEVSA-N 2 0 353.467 -0.247 20 0 FBADRP COCCOC[C@H](O)C[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001214847799 844503935 /nfs/dbraw/zinc/50/39/35/844503935.db2.gz SVUWRNVHJCQHJR-BZUAXINKSA-N 2 0 357.495 -0.069 20 0 FBADRP COCCOC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001214847800 844504521 /nfs/dbraw/zinc/50/45/21/844504521.db2.gz SVUWRNVHJCQHJR-OWCLPIDISA-N 2 0 357.495 -0.069 20 0 FBADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C[C@H]1C ZINC001214850414 844503870 /nfs/dbraw/zinc/50/38/70/844503870.db2.gz VGQLLLLOCKZKBY-BMFZPTHFSA-N 2 0 352.479 -0.188 20 0 FBADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C[C@H]1C ZINC001214850415 844504292 /nfs/dbraw/zinc/50/42/92/844504292.db2.gz VGQLLLLOCKZKBY-FVQBIDKESA-N 2 0 352.479 -0.188 20 0 FBADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001214852810 844503795 /nfs/dbraw/zinc/50/37/95/844503795.db2.gz JSSAIHROQPYWTH-HZSPNIEDSA-N 2 0 353.467 -0.119 20 0 FBADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001214852811 844504578 /nfs/dbraw/zinc/50/45/78/844504578.db2.gz JSSAIHROQPYWTH-MGPQQGTHSA-N 2 0 353.467 -0.119 20 0 FBADRP COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001214855322 844505237 /nfs/dbraw/zinc/50/52/37/844505237.db2.gz CFBBMFDDWNODPA-FRFSOERESA-N 2 0 354.495 -0.084 20 0 FBADRP COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001214855323 844505374 /nfs/dbraw/zinc/50/53/74/844505374.db2.gz CFBBMFDDWNODPA-UNEWFSDZSA-N 2 0 354.495 -0.084 20 0 FBADRP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1[NH2+]CCN(C)S(C)(=O)=O ZINC001214855533 844505075 /nfs/dbraw/zinc/50/50/75/844505075.db2.gz FQGLZSRRFSNEKA-BPLDGKMQSA-N 2 0 360.524 -0.346 20 0 FBADRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1[NH2+]CCN(C)S(C)(=O)=O ZINC001214855534 844505277 /nfs/dbraw/zinc/50/52/77/844505277.db2.gz FQGLZSRRFSNEKA-YUELXQCFSA-N 2 0 360.524 -0.346 20 0 FBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001214855725 844505396 /nfs/dbraw/zinc/50/53/96/844505396.db2.gz MAVBYRUDGIZROA-KYOSRNDESA-N 2 0 353.467 -0.391 20 0 FBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001214855726 844505599 /nfs/dbraw/zinc/50/55/99/844505599.db2.gz MAVBYRUDGIZROA-UXIGCNINSA-N 2 0 353.467 -0.391 20 0 FBADRP CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001214855830 844505161 /nfs/dbraw/zinc/50/51/61/844505161.db2.gz OYQXQHWJTYIPKU-FRFSOERESA-N 2 0 354.495 -0.084 20 0 FBADRP CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001214855831 844505418 /nfs/dbraw/zinc/50/54/18/844505418.db2.gz OYQXQHWJTYIPKU-UNEWFSDZSA-N 2 0 354.495 -0.084 20 0 FBADRP CCS(=O)(=O)NCC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001214855867 844505323 /nfs/dbraw/zinc/50/53/23/844505323.db2.gz PZQGKLMCDMULFL-BPLDGKMQSA-N 2 0 360.524 -0.298 20 0 FBADRP CCS(=O)(=O)NCC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001214855868 844505051 /nfs/dbraw/zinc/50/50/51/844505051.db2.gz PZQGKLMCDMULFL-YUELXQCFSA-N 2 0 360.524 -0.298 20 0 FBADRP CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001214856075 844505405 /nfs/dbraw/zinc/50/54/05/844505405.db2.gz WYUHCNWNSRLLPK-KBRIMQKVSA-N 2 0 354.495 -0.084 20 0 FBADRP CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001214856076 844505335 /nfs/dbraw/zinc/50/53/35/844505335.db2.gz WYUHCNWNSRLLPK-XYPHTWIQSA-N 2 0 354.495 -0.084 20 0 FBADRP CCS(=O)(=O)NCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001214861131 844505436 /nfs/dbraw/zinc/50/54/36/844505436.db2.gz IVYSBOKKAYPKBX-UKRRQHHQSA-N 2 0 360.524 -0.154 20 0 FBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001214861262 844505507 /nfs/dbraw/zinc/50/55/07/844505507.db2.gz NJUOCNPHBQXZQV-TZMCWYRMSA-N 2 0 353.467 -0.247 20 0 FBADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1[NH2+]CCN(C)S(C)(=O)=O ZINC001214861383 844505563 /nfs/dbraw/zinc/50/55/63/844505563.db2.gz SLOBZCVPPJYJFT-UKRRQHHQSA-N 2 0 360.524 -0.201 20 0 FBADRP COCCOC[C@H](O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001214861513 844505473 /nfs/dbraw/zinc/50/54/73/844505473.db2.gz VPZVUNQMAPZSRA-DJIMGWMZSA-N 2 0 357.495 -0.069 20 0 FBADRP COCCOC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001214861514 844504939 /nfs/dbraw/zinc/50/49/39/844504939.db2.gz VPZVUNQMAPZSRA-HYVNUMGLSA-N 2 0 357.495 -0.069 20 0 FBADRP CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001214862962 844505218 /nfs/dbraw/zinc/50/52/18/844505218.db2.gz BCLZBCXFAOBFJU-MBNYWOFBSA-N 2 0 353.467 -0.249 20 0 FBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001214862965 844505643 /nfs/dbraw/zinc/50/56/43/844505643.db2.gz BCLZBCXFAOBFJU-YRGRVCCFSA-N 2 0 353.467 -0.249 20 0 FBADRP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001214890275 844507124 /nfs/dbraw/zinc/50/71/24/844507124.db2.gz VMFJCYULFNXRKO-QLFBSQMISA-N 2 0 360.524 -0.154 20 0 FBADRP C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001214890276 844507015 /nfs/dbraw/zinc/50/70/15/844507015.db2.gz VMFJCYULFNXRKO-RBSFLKMASA-N 2 0 360.524 -0.154 20 0 FBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001214890287 844507694 /nfs/dbraw/zinc/50/76/94/844507694.db2.gz VULYWIVGNUQRCW-HZSPNIEDSA-N 2 0 353.467 -0.247 20 0 FBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001214890290 844507147 /nfs/dbraw/zinc/50/71/47/844507147.db2.gz VULYWIVGNUQRCW-MGPQQGTHSA-N 2 0 353.467 -0.247 20 0 FBADRP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001214894356 844507364 /nfs/dbraw/zinc/50/73/64/844507364.db2.gz KBDXNKPHYWNJOJ-HKUMRIAESA-N 2 0 355.464 -0.501 20 0 FBADRP CCS(=O)(=O)NCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C[C@H]1C ZINC001214895019 844507179 /nfs/dbraw/zinc/50/71/79/844507179.db2.gz XJLCOBMEZZQLMY-RGCMKSIDSA-N 2 0 369.491 -0.111 20 0 FBADRP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C[C@H]1[NH2+]CCN(C)S(C)(=O)=O ZINC001214895069 844507240 /nfs/dbraw/zinc/50/72/40/844507240.db2.gz ZGPQEELVBPWTCW-RGCMKSIDSA-N 2 0 369.491 -0.159 20 0 FBADRP CCS(=O)(=O)NCC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001214904672 844508517 /nfs/dbraw/zinc/50/85/17/844508517.db2.gz CZRJUQIADJYWOA-KFWWJZLASA-N 2 0 362.540 -0.052 20 0 FBADRP CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN(C)S(C)(=O)=O)C1)[NH+](C)C ZINC001214904872 844508294 /nfs/dbraw/zinc/50/82/94/844508294.db2.gz NPOUIDKMGAFNQA-KFWWJZLASA-N 2 0 362.540 -0.100 20 0 FBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001214905060 844508610 /nfs/dbraw/zinc/50/86/10/844508610.db2.gz WQRKATXSJYGHRY-NFAWXSAZSA-N 2 0 355.483 -0.145 20 0 FBADRP C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001214947853 844510959 /nfs/dbraw/zinc/51/09/59/844510959.db2.gz GGSNRODYRCGIDD-CHWSQXEVSA-N 2 0 351.451 -0.506 20 0 FBADRP CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NC2CC2)C1)[NH+](C)C ZINC001214952789 844511009 /nfs/dbraw/zinc/51/10/09/844511009.db2.gz MFVVGWOZBXGCNJ-MRVWCRGKSA-N 2 0 353.467 -0.249 20 0 FBADRP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C ZINC001214952860 844510831 /nfs/dbraw/zinc/51/08/31/844510831.db2.gz PQFFZJJWKXCOEO-MGPQQGTHSA-N 2 0 355.483 -0.001 20 0 FBADRP CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1)[NH+](C)C ZINC001214952979 844510363 /nfs/dbraw/zinc/51/03/63/844510363.db2.gz VFLMQPFDSQRXNI-QKPAOTATSA-N 2 0 354.495 -0.254 20 0 FBADRP CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCN2C(=O)CNC2=O)C1)[NH+](C)C ZINC001214953069 844510780 /nfs/dbraw/zinc/51/07/80/844510780.db2.gz ZWGHKOBEVLVYNP-MGPQQGTHSA-N 2 0 353.467 -0.295 20 0 FBADRP C[C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001214954577 844510974 /nfs/dbraw/zinc/51/09/74/844510974.db2.gz AEKJYEKJGAUYGC-HUUCEWRRSA-N 2 0 354.495 -0.131 20 0 FBADRP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1C ZINC001214955269 844511964 /nfs/dbraw/zinc/51/19/64/844511964.db2.gz UBXLTMHHKHZRAF-HUUCEWRRSA-N 2 0 354.495 -0.083 20 0 FBADRP COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1C ZINC001214955404 844512217 /nfs/dbraw/zinc/51/22/17/844512217.db2.gz XXHCHHZEBSFEOP-BZUAXINKSA-N 2 0 357.495 -0.211 20 0 FBADRP CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1C ZINC001214956671 844511866 /nfs/dbraw/zinc/51/18/66/844511866.db2.gz AOXSDEAVLSAQKC-QLFBSQMISA-N 2 0 354.495 -0.084 20 0 FBADRP CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1C ZINC001214956672 844512172 /nfs/dbraw/zinc/51/21/72/844512172.db2.gz AOXSDEAVLSAQKC-RBSFLKMASA-N 2 0 354.495 -0.084 20 0 FBADRP C[C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1[NH2+]CCOCCO ZINC001214956785 844511665 /nfs/dbraw/zinc/51/16/65/844511665.db2.gz GDCNXQFMIXNFPP-HZPDHXFCSA-N 2 0 357.495 -0.210 20 0 FBADRP COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1C ZINC001214957167 844511681 /nfs/dbraw/zinc/51/16/81/844511681.db2.gz XXHCHHZEBSFEOP-OWCLPIDISA-N 2 0 357.495 -0.211 20 0 FBADRP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1[NH2+]CCN(C)S(C)(=O)=O ZINC001214968985 844513157 /nfs/dbraw/zinc/51/31/57/844513157.db2.gz GWHPQMUKLGPRQG-KFWWJZLASA-N 2 0 360.524 -0.201 20 0 FBADRP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1[NH2+]CCN(C)S(C)(=O)=O ZINC001214968986 844512706 /nfs/dbraw/zinc/51/27/06/844512706.db2.gz GWHPQMUKLGPRQG-RBSFLKMASA-N 2 0 360.524 -0.201 20 0 FBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001214969187 844513097 /nfs/dbraw/zinc/51/30/97/844513097.db2.gz KHBLMCZXOJUZOG-MCIONIFRSA-N 2 0 353.467 -0.247 20 0 FBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001214969188 844512921 /nfs/dbraw/zinc/51/29/21/844512921.db2.gz KHBLMCZXOJUZOG-MGPQQGTHSA-N 2 0 353.467 -0.247 20 0 FBADRP CCS(=O)(=O)NCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001214969191 844512583 /nfs/dbraw/zinc/51/25/83/844512583.db2.gz KJHKWEJDCHKKBU-KFWWJZLASA-N 2 0 360.524 -0.154 20 0 FBADRP CCS(=O)(=O)NCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001214969192 844512825 /nfs/dbraw/zinc/51/28/25/844512825.db2.gz KJHKWEJDCHKKBU-RBSFLKMASA-N 2 0 360.524 -0.154 20 0 FBADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001214996842 844516685 /nfs/dbraw/zinc/51/66/85/844516685.db2.gz DOAXEHQVJYQPLI-CHWSQXEVSA-N 2 0 353.467 -0.295 20 0 FBADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)NC(=O)NC)C1 ZINC001214999498 844516881 /nfs/dbraw/zinc/51/68/81/844516881.db2.gz KDFOEBAYWRYXKH-FRRDWIJNSA-N 2 0 355.483 -0.003 20 0 FBADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)NC(=O)NC)C1 ZINC001214999499 844517261 /nfs/dbraw/zinc/51/72/61/844517261.db2.gz KDFOEBAYWRYXKH-JHJVBQTASA-N 2 0 355.483 -0.003 20 0 FBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C ZINC001215004056 844516746 /nfs/dbraw/zinc/51/67/46/844516746.db2.gz RLJGDVPCWZSSSO-CHWSQXEVSA-N 2 0 355.483 -0.001 20 0 FBADRP C[C@@H]1CN(C(=O)[C@@H]2CCc3cncn3C2)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001215005682 844516992 /nfs/dbraw/zinc/51/69/92/844516992.db2.gz DMKOAGYPDZRWHQ-UMVBOHGHSA-N 2 0 369.491 -0.569 20 0 FBADRP C[C@@H]1CN(C(=O)[C@H]2CCc3cncn3C2)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001215005683 844516801 /nfs/dbraw/zinc/51/68/01/844516801.db2.gz DMKOAGYPDZRWHQ-VNHYZAJKSA-N 2 0 369.491 -0.569 20 0 FBADRP C[C@@H]1CN(C(=O)[C@H]2CCn3ccnc3C2)C[C@H]1[NH2+]CCS(C)(=O)=O ZINC001215005812 844517124 /nfs/dbraw/zinc/51/71/24/844517124.db2.gz IREMIZYFQPOVMS-HZSPNIEDSA-N 2 0 354.476 -0.073 20 0 FBADRP C[C@@H]1CN(C(=O)[C@@H]2CCn3ccnc3C2)C[C@H]1[NH2+]CCS(C)(=O)=O ZINC001215005813 844516847 /nfs/dbraw/zinc/51/68/47/844516847.db2.gz IREMIZYFQPOVMS-MGPQQGTHSA-N 2 0 354.476 -0.073 20 0 FBADRP C[C@@H]1CN(C(=O)[C@H]2CCc3nccn3C2)C[C@H]1[NH2+]CCS(C)(=O)=O ZINC001215006114 844516710 /nfs/dbraw/zinc/51/67/10/844516710.db2.gz SFEHEPDOKBFHIK-HZSPNIEDSA-N 2 0 354.476 -0.073 20 0 FBADRP C[C@@H]1CN(C(=O)[C@@H]2CCc3nccn3C2)C[C@H]1[NH2+]CCS(C)(=O)=O ZINC001215006115 844516725 /nfs/dbraw/zinc/51/67/25/844516725.db2.gz SFEHEPDOKBFHIK-MGPQQGTHSA-N 2 0 354.476 -0.073 20 0 FBADRP C[C@@H]1CN(C(=O)[C@H]2CCc3nccn3C2)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001215006626 844516737 /nfs/dbraw/zinc/51/67/37/844516737.db2.gz YIMKJUZSWTUYGN-HZSPNIEDSA-N 2 0 369.491 -0.569 20 0 FBADRP C[C@@H]1CN(C(=O)[C@@H]2CCc3nccn3C2)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001215006627 844517291 /nfs/dbraw/zinc/51/72/91/844517291.db2.gz YIMKJUZSWTUYGN-MGPQQGTHSA-N 2 0 369.491 -0.569 20 0 FBADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001215036211 844520000 /nfs/dbraw/zinc/52/00/00/844520000.db2.gz RQTGIFRFUFVLLF-MCIONIFRSA-N 2 0 353.467 -0.262 20 0 FBADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001215036212 844520068 /nfs/dbraw/zinc/52/00/68/844520068.db2.gz RQTGIFRFUFVLLF-MGPQQGTHSA-N 2 0 353.467 -0.262 20 0 FBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001215056983 844521999 /nfs/dbraw/zinc/52/19/99/844521999.db2.gz QTPIUVYAUIFJET-CHWSQXEVSA-N 2 0 351.451 -0.493 20 0 FBADRP C[C@H]([NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C)C(=O)NC(N)=O ZINC001215058216 844522109 /nfs/dbraw/zinc/52/21/09/844522109.db2.gz FPWRXEJQKQJBFD-FRRDWIJNSA-N 2 0 351.451 -0.365 20 0 FBADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C)C(=O)NC(N)=O ZINC001215058217 844521797 /nfs/dbraw/zinc/52/17/97/844521797.db2.gz FPWRXEJQKQJBFD-JHJVBQTASA-N 2 0 351.451 -0.365 20 0 FBADRP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001215058249 844521488 /nfs/dbraw/zinc/52/14/88/844521488.db2.gz HIEULLOVEUHFBN-ZIAGYGMSSA-N 2 0 358.508 -0.400 20 0 FBADRP C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001215153509 844527600 /nfs/dbraw/zinc/52/76/00/844527600.db2.gz UQVGUDDIIFPLSH-IUODEOHRSA-N 2 0 365.459 -0.066 20 0 FBADRP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001215184534 844528616 /nfs/dbraw/zinc/52/86/16/844528616.db2.gz IFSSHOHMLLNNIP-ILLDSPSKSA-N 2 0 350.463 -0.626 20 0 FBADRP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001215184535 844528529 /nfs/dbraw/zinc/52/85/29/844528529.db2.gz IFSSHOHMLLNNIP-PGJZFTLKSA-N 2 0 350.463 -0.626 20 0 FBADRP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001215184692 844528497 /nfs/dbraw/zinc/52/84/97/844528497.db2.gz OQCZQZOAUMBVJK-ILLDSPSKSA-N 2 0 350.463 -0.578 20 0 FBADRP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001215184693 844528097 /nfs/dbraw/zinc/52/80/97/844528097.db2.gz OQCZQZOAUMBVJK-PGJZFTLKSA-N 2 0 350.463 -0.578 20 0 FBADRP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]CCOCCO ZINC001215184697 844528519 /nfs/dbraw/zinc/52/85/19/844528519.db2.gz OVTLSWDEQLVIIL-HCBPCCMXSA-N 2 0 353.463 -0.705 20 0 FBADRP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]CCOCCO ZINC001215184698 844528596 /nfs/dbraw/zinc/52/85/96/844528596.db2.gz OVTLSWDEQLVIIL-MYPHYYIGSA-N 2 0 353.463 -0.705 20 0 FBADRP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]CCS(C)(=O)=O ZINC001215184703 844528322 /nfs/dbraw/zinc/52/83/22/844528322.db2.gz PAANJPJJCRQOMW-QVCPJDEESA-N 2 0 371.503 -0.669 20 0 FBADRP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]CCS(C)(=O)=O ZINC001215184704 844528157 /nfs/dbraw/zinc/52/81/57/844528157.db2.gz PAANJPJJCRQOMW-RJZXRHAOSA-N 2 0 371.503 -0.669 20 0 FBADRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001215224145 844530050 /nfs/dbraw/zinc/53/00/50/844530050.db2.gz KTDUMEGZWYIRON-KYOSRNDESA-N 2 0 351.451 -0.508 20 0 FBADRP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001215224146 844530446 /nfs/dbraw/zinc/53/04/46/844530446.db2.gz KTDUMEGZWYIRON-UXIGCNINSA-N 2 0 351.451 -0.508 20 0 FBADRP C[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001215234099 844532368 /nfs/dbraw/zinc/53/23/68/844532368.db2.gz CQLFNABUPLRPTK-CHWSQXEVSA-N 2 0 353.467 -0.118 20 0 FBADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001215298664 844537378 /nfs/dbraw/zinc/53/73/78/844537378.db2.gz BBOKVWMRFNOTDV-ZIAGYGMSSA-N 2 0 360.524 -0.154 20 0 FBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001215298694 844537303 /nfs/dbraw/zinc/53/73/03/844537303.db2.gz CTWFYINSFSSMTP-CHWSQXEVSA-N 2 0 353.467 -0.247 20 0 FBADRP C[C@H]([NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C)C(=O)NC(N)=O ZINC001215299136 844536811 /nfs/dbraw/zinc/53/68/11/844536811.db2.gz YSFYJUVJUAVFAQ-FRRDWIJNSA-N 2 0 353.467 -0.119 20 0 FBADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C)C(=O)NC(N)=O ZINC001215299137 844537059 /nfs/dbraw/zinc/53/70/59/844537059.db2.gz YSFYJUVJUAVFAQ-JHJVBQTASA-N 2 0 353.467 -0.119 20 0 FBADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]C[C@H](O)CN1CCCC1=O ZINC001215316703 844537922 /nfs/dbraw/zinc/53/79/22/844537922.db2.gz JZADGNPFTGCYBP-QKPAOTATSA-N 2 0 352.479 -0.500 20 0 FBADRP CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001215381057 844541046 /nfs/dbraw/zinc/54/10/46/844541046.db2.gz MUVXAUKXKRUJKB-HZSPNIEDSA-N 2 0 353.467 -0.260 20 0 FBADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001215381058 844541203 /nfs/dbraw/zinc/54/12/03/844541203.db2.gz MUVXAUKXKRUJKB-MGPQQGTHSA-N 2 0 353.467 -0.260 20 0 FBADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001215396826 844543591 /nfs/dbraw/zinc/54/35/91/844543591.db2.gz FNMOYMDHDKBGSR-CBBWQLFWSA-N 2 0 360.524 -0.298 20 0 FBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001215397371 844543231 /nfs/dbraw/zinc/54/32/31/844543231.db2.gz YBGJIOSXLBSRAD-ZOBORPQBSA-N 2 0 353.467 -0.391 20 0 FBADRP C[C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001215407520 844543629 /nfs/dbraw/zinc/54/36/29/844543629.db2.gz HIFPRFRYUPPVSR-ZYHUDNBSSA-N 2 0 351.407 -0.414 20 0 FBADRP CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001215413416 844543485 /nfs/dbraw/zinc/54/34/85/844543485.db2.gz FUNLEFSGXAZCAE-HUUCEWRRSA-N 2 0 354.495 -0.083 20 0 FBADRP CCS(=O)(=O)NCC[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001215413525 844543663 /nfs/dbraw/zinc/54/36/63/844543663.db2.gz HNSRHOADGZIFMZ-ZIAGYGMSSA-N 2 0 360.524 -0.296 20 0 FBADRP CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001215413633 844543424 /nfs/dbraw/zinc/54/34/24/844543424.db2.gz JBUQAIWCJXUWNJ-FRRDWIJNSA-N 2 0 353.467 -0.391 20 0 FBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001215413702 844543585 /nfs/dbraw/zinc/54/35/85/844543585.db2.gz JBUQAIWCJXUWNJ-JHJVBQTASA-N 2 0 353.467 -0.391 20 0 FBADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001215414049 844543477 /nfs/dbraw/zinc/54/34/77/844543477.db2.gz QAFSBICBCSBPKY-CHWSQXEVSA-N 2 0 351.451 -0.684 20 0 FBADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001215414660 844544591 /nfs/dbraw/zinc/54/45/91/844544591.db2.gz ZJUBNRYRKTVLGB-ZIAGYGMSSA-N 2 0 350.463 -0.086 20 0 FBADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1[NH2+]CCN(C)S(C)(=O)=O ZINC001215415572 844544601 /nfs/dbraw/zinc/54/46/01/844544601.db2.gz AUZRDPLVQLONEP-ZIAGYGMSSA-N 2 0 360.524 -0.344 20 0 FBADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001215415647 844544242 /nfs/dbraw/zinc/54/42/42/844544242.db2.gz FPBQLSMQPWBYMO-HUUCEWRRSA-N 2 0 352.479 -0.377 20 0 FBADRP CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001215416024 844544222 /nfs/dbraw/zinc/54/42/22/844544222.db2.gz NGVAHQBVUPVDIB-GDBMZVCRSA-N 2 0 354.495 -0.083 20 0 FBADRP COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001215416251 844544670 /nfs/dbraw/zinc/54/46/70/844544670.db2.gz RKWFTKKSDQDAEF-HUUCEWRRSA-N 2 0 354.495 -0.083 20 0 FBADRP COCCOC[C@H](O)C[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001215416262 844544289 /nfs/dbraw/zinc/54/42/89/844544289.db2.gz RXJZKCRAGAWDAA-BZUAXINKSA-N 2 0 357.495 -0.211 20 0 FBADRP COCCOC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001215416263 844544273 /nfs/dbraw/zinc/54/42/73/844544273.db2.gz RXJZKCRAGAWDAA-OWCLPIDISA-N 2 0 357.495 -0.211 20 0 FBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001215416682 844544633 /nfs/dbraw/zinc/54/46/33/844544633.db2.gz WKTUNFHZAFXAQX-CHWSQXEVSA-N 2 0 353.467 -0.390 20 0 FBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001215421588 844544703 /nfs/dbraw/zinc/54/47/03/844544703.db2.gz HHAHBAGLEPVBNV-HZSPNIEDSA-N 2 0 355.483 -0.001 20 0 FBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001215421589 844544718 /nfs/dbraw/zinc/54/47/18/844544718.db2.gz HHAHBAGLEPVBNV-MGPQQGTHSA-N 2 0 355.483 -0.001 20 0 FBADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001215421918 844544580 /nfs/dbraw/zinc/54/45/80/844544580.db2.gz QCPHVDLKEHLFEG-TZMCWYRMSA-N 2 0 353.467 -0.247 20 0 FBADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1[NH2+]CCCN1C(=O)CNC1=O ZINC001215423297 844544826 /nfs/dbraw/zinc/54/48/26/844544826.db2.gz GEEFRHTYQGHAGQ-ZIAGYGMSSA-N 2 0 353.467 -0.293 20 0 FBADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001215423473 844544745 /nfs/dbraw/zinc/54/47/45/844544745.db2.gz NFIDTMYNHXMZDT-BZUAXINKSA-N 2 0 354.495 -0.083 20 0 FBADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001215423474 844544403 /nfs/dbraw/zinc/54/44/03/844544403.db2.gz NFIDTMYNHXMZDT-OWCLPIDISA-N 2 0 354.495 -0.083 20 0 FBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001215453611 844546570 /nfs/dbraw/zinc/54/65/70/844546570.db2.gz KJVBIBCWBZOHIB-TZMCWYRMSA-N 2 0 353.467 -0.390 20 0 FBADRP COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001215453650 844546486 /nfs/dbraw/zinc/54/64/86/844546486.db2.gz MAKZIQAJHIDSDS-GDBMZVCRSA-N 2 0 354.495 -0.083 20 0 FBADRP CCS(=O)(=O)NCC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001215453843 844546431 /nfs/dbraw/zinc/54/64/31/844546431.db2.gz UWRRPTJESDMBQE-UKRRQHHQSA-N 2 0 360.524 -0.296 20 0 FBADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+]CCN(C)S(C)(=O)=O ZINC001215453872 844546668 /nfs/dbraw/zinc/54/66/68/844546668.db2.gz WEPTWUKLIWOPHX-UKRRQHHQSA-N 2 0 360.524 -0.344 20 0 FBADRP CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001215453893 844546916 /nfs/dbraw/zinc/54/69/16/844546916.db2.gz XSHKRLVOAFXVGY-MBNYWOFBSA-N 2 0 353.467 -0.391 20 0 FBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001215453894 844546604 /nfs/dbraw/zinc/54/66/04/844546604.db2.gz XSHKRLVOAFXVGY-YRGRVCCFSA-N 2 0 353.467 -0.391 20 0 FBADRP CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001215453936 844546732 /nfs/dbraw/zinc/54/67/32/844546732.db2.gz ZYDSGQKZKWPTIG-GDBMZVCRSA-N 2 0 354.495 -0.083 20 0 FBADRP C[C@H]([NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C)C(=O)NC(=O)NC1CC1 ZINC001215458787 844546796 /nfs/dbraw/zinc/54/67/96/844546796.db2.gz KTLHOQDZEMYGNE-MBNYWOFBSA-N 2 0 353.467 -0.249 20 0 FBADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C)C(=O)NC(=O)NC1CC1 ZINC001215458788 844547098 /nfs/dbraw/zinc/54/70/98/844547098.db2.gz KTLHOQDZEMYGNE-YRGRVCCFSA-N 2 0 353.467 -0.249 20 0 FBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001215458980 844546890 /nfs/dbraw/zinc/54/68/90/844546890.db2.gz RZLZCXCLXOKMEU-CHWSQXEVSA-N 2 0 353.467 -0.295 20 0 FBADRP CC(C)NC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215459098 844547033 /nfs/dbraw/zinc/54/70/33/844547033.db2.gz XGIOSLOBVBIFDG-HZSPNIEDSA-N 2 0 355.483 -0.003 20 0 FBADRP CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215459099 844546925 /nfs/dbraw/zinc/54/69/25/844546925.db2.gz XGIOSLOBVBIFDG-MGPQQGTHSA-N 2 0 355.483 -0.003 20 0 FBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001215461166 844546637 /nfs/dbraw/zinc/54/66/37/844546637.db2.gz UOXBZYZBKVCGNF-QLFBSQMISA-N 2 0 360.524 -0.344 20 0 FBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001215461167 844546506 /nfs/dbraw/zinc/54/65/06/844546506.db2.gz UOXBZYZBKVCGNF-RBSFLKMASA-N 2 0 360.524 -0.344 20 0 FBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]C[C@@H](O)COC1CCOCC1 ZINC001215462941 844546900 /nfs/dbraw/zinc/54/69/00/844546900.db2.gz COIPUVVTFFXTFC-BFYDXBDKSA-N 2 0 357.495 -0.069 20 0 FBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]C[C@H](O)COC1CCOCC1 ZINC001215462942 844546518 /nfs/dbraw/zinc/54/65/18/844546518.db2.gz COIPUVVTFFXTFC-HLLBOEOZSA-N 2 0 357.495 -0.069 20 0 FBADRP COCCS(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215462958 844546908 /nfs/dbraw/zinc/54/69/08/844546908.db2.gz DDBLKTHCBFZDTF-HUUCEWRRSA-N 2 0 363.524 -0.174 20 0 FBADRP CC(C)CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215463090 844546477 /nfs/dbraw/zinc/54/64/77/844546477.db2.gz HOTBLRJFJMHFQD-ZIAGYGMSSA-N 2 0 355.483 -0.144 20 0 FBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]CC(=O)NC(=O)NC(C)(C)C ZINC001215463202 844546482 /nfs/dbraw/zinc/54/64/82/844546482.db2.gz LVNBSJMETKMWMB-CHWSQXEVSA-N 2 0 355.483 -0.001 20 0 FBADRP CCS(=O)(=O)NCC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001215473534 844547931 /nfs/dbraw/zinc/54/79/31/844547931.db2.gz CZRJUQIADJYWOA-RBSFLKMASA-N 2 0 362.540 -0.052 20 0 FBADRP CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN(C)S(C)(=O)=O)C1)[NH+](C)C ZINC001215474353 844547838 /nfs/dbraw/zinc/54/78/38/844547838.db2.gz NPOUIDKMGAFNQA-RBSFLKMASA-N 2 0 362.540 -0.100 20 0 FBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001215476798 844548055 /nfs/dbraw/zinc/54/80/55/844548055.db2.gz WQRKATXSJYGHRY-UMVBOHGHSA-N 2 0 355.483 -0.145 20 0 FBADRP CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NC)C1)[NH+](CC)CC ZINC001215518787 844548994 /nfs/dbraw/zinc/54/89/94/844548994.db2.gz MHQFHZFSRWQVDQ-MCIONIFRSA-N 2 0 355.483 -0.001 20 0 FBADRP CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NC)C1)[NH+](CC)CC ZINC001215518788 844549002 /nfs/dbraw/zinc/54/90/02/844549002.db2.gz MHQFHZFSRWQVDQ-MGPQQGTHSA-N 2 0 355.483 -0.001 20 0 FBADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1[NH2+]CCN(C)S(C)(=O)=O ZINC001215536118 844549884 /nfs/dbraw/zinc/54/98/84/844549884.db2.gz JBYFTPWAOMUWTF-QLFBSQMISA-N 2 0 360.524 -0.201 20 0 FBADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1[NH2+]CCN(C)S(C)(=O)=O ZINC001215536119 844550160 /nfs/dbraw/zinc/55/01/60/844550160.db2.gz JBYFTPWAOMUWTF-RBSFLKMASA-N 2 0 360.524 -0.201 20 0 FBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001215536219 844549475 /nfs/dbraw/zinc/54/94/75/844549475.db2.gz MUJLFXSAEJSSOU-HZSPNIEDSA-N 2 0 353.467 -0.247 20 0 FBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C ZINC001215536220 844549926 /nfs/dbraw/zinc/54/99/26/844549926.db2.gz MUJLFXSAEJSSOU-MGPQQGTHSA-N 2 0 353.467 -0.247 20 0 FBADRP COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001215540317 844550000 /nfs/dbraw/zinc/55/00/00/844550000.db2.gz LRGUDLUFEMNNBU-ARFHVFGLSA-N 2 0 354.495 -0.083 20 0 FBADRP COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001215540318 844549617 /nfs/dbraw/zinc/54/96/17/844549617.db2.gz LRGUDLUFEMNNBU-BZUAXINKSA-N 2 0 354.495 -0.083 20 0 FBADRP CCS(=O)(=O)NCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001215540628 844549979 /nfs/dbraw/zinc/54/99/79/844549979.db2.gz OJGJHDFCGKPYSH-QLFBSQMISA-N 2 0 360.524 -0.154 20 0 FBADRP CCS(=O)(=O)NCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C ZINC001215540629 844549449 /nfs/dbraw/zinc/54/94/49/844549449.db2.gz OJGJHDFCGKPYSH-RBSFLKMASA-N 2 0 360.524 -0.154 20 0 FBADRP CCS(=O)(=O)NCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001215540772 844549633 /nfs/dbraw/zinc/54/96/33/844549633.db2.gz PQYTWRIBCGDFAU-RBSFLKMASA-N 2 0 360.524 -0.296 20 0 FBADRP CCS(=O)(=O)NCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001215540773 844549711 /nfs/dbraw/zinc/54/97/11/844549711.db2.gz PQYTWRIBCGDFAU-RRFJBIMHSA-N 2 0 360.524 -0.296 20 0 FBADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C)[C@H]([NH2+]CCN(C)S(C)(=O)=O)C2)C1 ZINC001215540784 844550036 /nfs/dbraw/zinc/55/00/36/844550036.db2.gz PUYVVZLVWCJAPW-RBSFLKMASA-N 2 0 360.524 -0.344 20 0 FBADRP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1[NH2+]CCN(C)S(C)(=O)=O ZINC001215540785 844549751 /nfs/dbraw/zinc/54/97/51/844549751.db2.gz PUYVVZLVWCJAPW-RRFJBIMHSA-N 2 0 360.524 -0.344 20 0 FBADRP CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001215541318 844549770 /nfs/dbraw/zinc/54/97/70/844549770.db2.gz YBXSDMXRURXUMR-BFYDXBDKSA-N 2 0 354.495 -0.083 20 0 FBADRP CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001215541319 844549736 /nfs/dbraw/zinc/54/97/36/844549736.db2.gz YBXSDMXRURXUMR-ZMSDIMECSA-N 2 0 354.495 -0.083 20 0 FBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001215541372 844549526 /nfs/dbraw/zinc/54/95/26/844549526.db2.gz ZQYXMTSGAJTRHB-BFHYXJOUSA-N 2 0 353.467 -0.390 20 0 FBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001215541373 844549964 /nfs/dbraw/zinc/54/99/64/844549964.db2.gz ZQYXMTSGAJTRHB-MGPQQGTHSA-N 2 0 353.467 -0.390 20 0 FBADRP CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001215544414 844550018 /nfs/dbraw/zinc/55/00/18/844550018.db2.gz TYUYXCGSSXBONP-ARFHVFGLSA-N 2 0 354.495 -0.083 20 0 FBADRP CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001215544415 844550188 /nfs/dbraw/zinc/55/01/88/844550188.db2.gz TYUYXCGSSXBONP-BZUAXINKSA-N 2 0 354.495 -0.083 20 0 FBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001215551357 844550134 /nfs/dbraw/zinc/55/01/34/844550134.db2.gz PJCOUBXZGYUVGV-CHWSQXEVSA-N 2 0 353.467 -0.390 20 0 FBADRP C[C@H]([NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C)C(=O)NC(N)=O ZINC001215557786 844550761 /nfs/dbraw/zinc/55/07/61/844550761.db2.gz CPBASMTXJTWALG-FRRDWIJNSA-N 2 0 353.467 -0.262 20 0 FBADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C)C(=O)NC(N)=O ZINC001215557787 844550580 /nfs/dbraw/zinc/55/05/80/844550580.db2.gz CPBASMTXJTWALG-JHJVBQTASA-N 2 0 353.467 -0.262 20 0 FBADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001215557988 844550608 /nfs/dbraw/zinc/55/06/08/844550608.db2.gz IIHUQZKSVLMNCN-ZIAGYGMSSA-N 2 0 360.524 -0.296 20 0 FBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001215563429 844550702 /nfs/dbraw/zinc/55/07/02/844550702.db2.gz GBHGDLXKWGIKEC-CHWSQXEVSA-N 2 0 355.483 -0.144 20 0 FBADRP C[C@H]([NH2+][C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C)C(=O)NC(N)=O ZINC001215567682 844550966 /nfs/dbraw/zinc/55/09/66/844550966.db2.gz DPRAHFGHRJSPSO-FRRDWIJNSA-N 2 0 355.483 -0.016 20 0 FBADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C)C(=O)NC(N)=O ZINC001215567683 844550919 /nfs/dbraw/zinc/55/09/19/844550919.db2.gz DPRAHFGHRJSPSO-JHJVBQTASA-N 2 0 355.483 -0.016 20 0 FBADRP C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001215568377 844550637 /nfs/dbraw/zinc/55/06/37/844550637.db2.gz NVIKDRPIOMDUOA-ZIAGYGMSSA-N 2 0 362.540 -0.050 20 0 FBADRP CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NC2CC2)C1)[NH+](C)C ZINC001215571370 844550781 /nfs/dbraw/zinc/55/07/81/844550781.db2.gz MFVVGWOZBXGCNJ-BNOWGMLFSA-N 2 0 353.467 -0.249 20 0 FBADRP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C ZINC001215571525 844551060 /nfs/dbraw/zinc/55/10/60/844551060.db2.gz PQFFZJJWKXCOEO-MCIONIFRSA-N 2 0 355.483 -0.001 20 0 FBADRP CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1)[NH+](C)C ZINC001215571716 844551097 /nfs/dbraw/zinc/55/10/97/844551097.db2.gz VFLMQPFDSQRXNI-QXSJWSMHSA-N 2 0 354.495 -0.254 20 0 FBADRP CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCN2C(=O)CNC2=O)C1)[NH+](C)C ZINC001215571952 844551041 /nfs/dbraw/zinc/55/10/41/844551041.db2.gz ZWGHKOBEVLVYNP-MCIONIFRSA-N 2 0 353.467 -0.295 20 0 FBADRP C[C@H](COCC(=O)N1C[C@@H](C)[C@H]([NH2+]CCOCCO)C1)[NH+]1CCCC1 ZINC001215599147 844551898 /nfs/dbraw/zinc/55/18/98/844551898.db2.gz SSWGQKXTUZARGF-BRWVUGGUSA-N 2 0 357.495 -0.067 20 0 FBADRP C[C@@H](COCC(=O)N1C[C@@H](C)[C@H]([NH2+]CCOCCO)C1)[NH+]1CCCC1 ZINC001215599148 844552071 /nfs/dbraw/zinc/55/20/71/844552071.db2.gz SSWGQKXTUZARGF-IXDOHACOSA-N 2 0 357.495 -0.067 20 0 FBADRP C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1)[NH+]1CCCCCC1 ZINC001215773921 844560700 /nfs/dbraw/zinc/56/07/00/844560700.db2.gz DDNGFXADMPEQAW-HZSPNIEDSA-N 2 0 353.467 -0.118 20 0 FBADRP C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1)[NH+]1CCCCCC1 ZINC001215773922 844560531 /nfs/dbraw/zinc/56/05/31/844560531.db2.gz DDNGFXADMPEQAW-MGPQQGTHSA-N 2 0 353.467 -0.118 20 0 FBADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001215774624 844561587 /nfs/dbraw/zinc/56/15/87/844561587.db2.gz UALMMPNIIZVCRP-MCIONIFRSA-N 2 0 353.467 -0.119 20 0 FBADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001215774626 844561725 /nfs/dbraw/zinc/56/17/25/844561725.db2.gz UALMMPNIIZVCRP-MGPQQGTHSA-N 2 0 353.467 -0.119 20 0 FBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001215778741 844561385 /nfs/dbraw/zinc/56/13/85/844561385.db2.gz ZWAOIWJHMDQQIU-TZMCWYRMSA-N 2 0 353.467 -0.390 20 0 FBADRP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001215780991 844561485 /nfs/dbraw/zinc/56/14/85/844561485.db2.gz BQZYRHAXOVQIBD-UKRRQHHQSA-N 2 0 360.524 -0.296 20 0 FBADRP C[C@H]([NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C)C(=O)NC(N)=O ZINC001215782222 844561405 /nfs/dbraw/zinc/56/14/05/844561405.db2.gz YIEKAEDMOXIKGT-MBNYWOFBSA-N 2 0 353.467 -0.262 20 0 FBADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C)C(=O)NC(N)=O ZINC001215782224 844561605 /nfs/dbraw/zinc/56/16/05/844561605.db2.gz YIEKAEDMOXIKGT-YRGRVCCFSA-N 2 0 353.467 -0.262 20 0 FBADRP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1C ZINC001215861246 844566101 /nfs/dbraw/zinc/56/61/01/844566101.db2.gz CJNGFFXTVNEMLI-UKRRQHHQSA-N 2 0 350.467 -0.369 20 0 FBADRP COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1C ZINC001215861317 844566353 /nfs/dbraw/zinc/56/63/53/844566353.db2.gz FXYQYXVBPFMUMN-FVQBIDKESA-N 2 0 353.467 -0.498 20 0 FBADRP COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1C ZINC001215861318 844566007 /nfs/dbraw/zinc/56/60/07/844566007.db2.gz FXYQYXVBPFMUMN-VNQPRFMTSA-N 2 0 353.467 -0.498 20 0 FBADRP C[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1[NH2+]CCS(C)(=O)=O ZINC001215861727 844566165 /nfs/dbraw/zinc/56/61/65/844566165.db2.gz MPDALFZTICOHCJ-UKRRQHHQSA-N 2 0 371.507 -0.461 20 0 FBADRP C[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1[NH2+]CCOCCO ZINC001215861746 844566521 /nfs/dbraw/zinc/56/65/21/844566521.db2.gz NLPOHLOXMVISLG-GDBMZVCRSA-N 2 0 353.467 -0.496 20 0 FBADRP C[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001215861942 844566278 /nfs/dbraw/zinc/56/62/78/844566278.db2.gz RNBMNPZPLSCEGU-UKRRQHHQSA-N 2 0 350.467 -0.417 20 0 FBADRP CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1C ZINC001215864889 844566483 /nfs/dbraw/zinc/56/64/83/844566483.db2.gz AVDRNKBWSVVZOG-UMVBOHGHSA-N 2 0 350.467 -0.371 20 0 FBADRP CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1C ZINC001215864892 844566514 /nfs/dbraw/zinc/56/65/14/844566514.db2.gz AVDRNKBWSVVZOG-VNHYZAJKSA-N 2 0 350.467 -0.371 20 0 FBADRP CC[NH+](CC)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1)C(C)C ZINC001215977503 844571211 /nfs/dbraw/zinc/57/12/11/844571211.db2.gz NNLIBKGLXAMCCP-NFAWXSAZSA-N 2 0 355.483 -0.016 20 0 FBADRP CC[NH+](CC)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1)C(C)C ZINC001215977504 844571429 /nfs/dbraw/zinc/57/14/29/844571429.db2.gz NNLIBKGLXAMCCP-UMVBOHGHSA-N 2 0 355.483 -0.016 20 0 FBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001215993723 844572480 /nfs/dbraw/zinc/57/24/80/844572480.db2.gz CKRCKDYRCJOYTP-HZSPNIEDSA-N 2 0 355.483 -0.001 20 0 FBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001215993726 844572738 /nfs/dbraw/zinc/57/27/38/844572738.db2.gz CKRCKDYRCJOYTP-MGPQQGTHSA-N 2 0 355.483 -0.001 20 0 FBADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NC2CC2)C1 ZINC001215994145 844572620 /nfs/dbraw/zinc/57/26/20/844572620.db2.gz ROOOSAHAPGUUJJ-TZMCWYRMSA-N 2 0 353.467 -0.247 20 0 FBADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCCS2(=O)=O)C1 ZINC001215998772 844572500 /nfs/dbraw/zinc/57/25/00/844572500.db2.gz AZBQTKAONOXBLF-HUUCEWRRSA-N 2 0 360.524 -0.200 20 0 FBADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001215999065 844572651 /nfs/dbraw/zinc/57/26/51/844572651.db2.gz NLYBCHSBSKCVOA-OWCLPIDISA-N 2 0 354.495 -0.252 20 0 FBADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001216001462 844572351 /nfs/dbraw/zinc/57/23/51/844572351.db2.gz CQMUSCGCCJDUOB-ZIAGYGMSSA-N 2 0 353.467 -0.293 20 0 FBADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC[C@H]2CCOC2)C1 ZINC001216002547 844572274 /nfs/dbraw/zinc/57/22/74/844572274.db2.gz UWUZBJSPXVZXIQ-BZUAXINKSA-N 2 0 354.495 -0.083 20 0 FBADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC[C@@H]2CCOC2)C1 ZINC001216002548 844572590 /nfs/dbraw/zinc/57/25/90/844572590.db2.gz UWUZBJSPXVZXIQ-OWCLPIDISA-N 2 0 354.495 -0.083 20 0 FBADRP C[C@H]([NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C)C(=O)NC(N)=O ZINC001216053097 844573574 /nfs/dbraw/zinc/57/35/74/844573574.db2.gz BKALCFAVIJWFBQ-HZSPNIEDSA-N 2 0 353.467 -0.262 20 0 FBADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C)C(=O)NC(N)=O ZINC001216053098 844573680 /nfs/dbraw/zinc/57/36/80/844573680.db2.gz BKALCFAVIJWFBQ-MGPQQGTHSA-N 2 0 353.467 -0.262 20 0 FBADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001216053273 844573719 /nfs/dbraw/zinc/57/37/19/844573719.db2.gz IKAUOZPAFVGXEW-HUUCEWRRSA-N 2 0 360.524 -0.296 20 0 FBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001216053637 844573419 /nfs/dbraw/zinc/57/34/19/844573419.db2.gz SSKWUORARCPONC-ZIAGYGMSSA-N 2 0 353.467 -0.390 20 0 FBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001216217350 844580975 /nfs/dbraw/zinc/58/09/75/844580975.db2.gz RZOGGIBCXPBMHF-HZSPNIEDSA-N 2 0 355.483 -0.001 20 0 FBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001216217351 844580813 /nfs/dbraw/zinc/58/08/13/844580813.db2.gz RZOGGIBCXPBMHF-MGPQQGTHSA-N 2 0 355.483 -0.001 20 0 FBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NC2CC2)C1 ZINC001216221550 844580687 /nfs/dbraw/zinc/58/06/87/844580687.db2.gz IEHBOOMNIPBGGW-TZMCWYRMSA-N 2 0 353.467 -0.247 20 0 FBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCCS2(=O)=O)C1 ZINC001216221565 844580651 /nfs/dbraw/zinc/58/06/51/844580651.db2.gz IILZTFGZHGTCDC-HUUCEWRRSA-N 2 0 360.524 -0.200 20 0 FBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC[C@H]2CCOC2)C1 ZINC001216225995 844580371 /nfs/dbraw/zinc/58/03/71/844580371.db2.gz KERQCHOGYXTFCM-BZUAXINKSA-N 2 0 354.495 -0.083 20 0 FBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC[C@@H]2CCOC2)C1 ZINC001216225996 844580511 /nfs/dbraw/zinc/58/05/11/844580511.db2.gz KERQCHOGYXTFCM-OWCLPIDISA-N 2 0 354.495 -0.083 20 0 FBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001216226341 844580599 /nfs/dbraw/zinc/58/05/99/844580599.db2.gz SXKMWXCEDNTJKW-ZIAGYGMSSA-N 2 0 353.467 -0.293 20 0 FBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001216226569 844580320 /nfs/dbraw/zinc/58/03/20/844580320.db2.gz XQPOIKPKLDECJR-OWCLPIDISA-N 2 0 354.495 -0.252 20 0 FBADRP CCS(=O)(=O)NCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216382954 844586792 /nfs/dbraw/zinc/58/67/92/844586792.db2.gz FOTSHBMFOREKPD-QLFBSQMISA-N 2 0 360.524 -0.296 20 0 FBADRP CCS(=O)(=O)NCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216382955 844586681 /nfs/dbraw/zinc/58/66/81/844586681.db2.gz FOTSHBMFOREKPD-RBSFLKMASA-N 2 0 360.524 -0.296 20 0 FBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216383325 844586596 /nfs/dbraw/zinc/58/65/96/844586596.db2.gz KIRLEBOXJJGQIO-HZSPNIEDSA-N 2 0 353.467 -0.390 20 0 FBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216383327 844586463 /nfs/dbraw/zinc/58/64/63/844586463.db2.gz KIRLEBOXJJGQIO-MGPQQGTHSA-N 2 0 353.467 -0.390 20 0 FBADRP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CCN(C)S(C)(=O)=O ZINC001216383585 844586241 /nfs/dbraw/zinc/58/62/41/844586241.db2.gz OKDOHKGOLBWKAK-QLFBSQMISA-N 2 0 360.524 -0.344 20 0 FBADRP C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CCN(C)S(C)(=O)=O ZINC001216383587 844586284 /nfs/dbraw/zinc/58/62/84/844586284.db2.gz OKDOHKGOLBWKAK-RBSFLKMASA-N 2 0 360.524 -0.344 20 0 FBADRP COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216383598 844586674 /nfs/dbraw/zinc/58/66/74/844586674.db2.gz OQCCRCZFQCZXEA-BZUAXINKSA-N 2 0 354.495 -0.083 20 0 FBADRP COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216383600 844586629 /nfs/dbraw/zinc/58/66/29/844586629.db2.gz OQCCRCZFQCZXEA-OWCLPIDISA-N 2 0 354.495 -0.083 20 0 FBADRP CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216383894 844586532 /nfs/dbraw/zinc/58/65/32/844586532.db2.gz SYOCVTBGNWBNBY-BZUAXINKSA-N 2 0 354.495 -0.083 20 0 FBADRP CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216383895 844587637 /nfs/dbraw/zinc/58/76/37/844587637.db2.gz SYOCVTBGNWBNBY-OWCLPIDISA-N 2 0 354.495 -0.083 20 0 FBADRP CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216384057 844587365 /nfs/dbraw/zinc/58/73/65/844587365.db2.gz WBDQIKHLSGGBPS-DJIMGWMZSA-N 2 0 354.495 -0.083 20 0 FBADRP CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216384058 844587688 /nfs/dbraw/zinc/58/76/88/844587688.db2.gz WBDQIKHLSGGBPS-HYVNUMGLSA-N 2 0 354.495 -0.083 20 0 FBADRP COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001216400897 844588598 /nfs/dbraw/zinc/58/85/98/844588598.db2.gz DKIANGXYECBLEZ-HUUCEWRRSA-N 2 0 358.483 -0.846 20 0 FBADRP CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001216400949 844588213 /nfs/dbraw/zinc/58/82/13/844588213.db2.gz FEXRVBLPELZPKG-HUUCEWRRSA-N 2 0 358.483 -0.846 20 0 FBADRP Cc1nc(C)n(CC[NH2+][C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)n1 ZINC001216400956 844588771 /nfs/dbraw/zinc/58/87/71/844588771.db2.gz FKESROBMXOJSLC-CZUORRHYSA-N 2 0 352.483 -0.090 20 0 FBADRP COc1nccc(C[NH2+][C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)n1 ZINC001216401122 844588880 /nfs/dbraw/zinc/58/88/80/844588880.db2.gz GVIIYGZOPJEVEV-UKRRQHHQSA-N 2 0 351.451 0.000 20 0 FBADRP COc1ccc(C[NH2+][C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)nn1 ZINC001216401289 844588844 /nfs/dbraw/zinc/58/88/44/844588844.db2.gz IUDLNTLQYSCHLP-UKRRQHHQSA-N 2 0 351.451 0.000 20 0 FBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1[NH2+]CC(=O)N(C)CC1CC1 ZINC001216401321 844588301 /nfs/dbraw/zinc/58/83/01/844588301.db2.gz JXOLTUQRKJHUIJ-GDBMZVCRSA-N 2 0 354.495 -0.131 20 0 FBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1[NH2+]CC(=O)NCC1CCC1 ZINC001216401586 844588711 /nfs/dbraw/zinc/58/87/11/844588711.db2.gz NGQDPVQRWOOSBY-GDBMZVCRSA-N 2 0 354.495 -0.083 20 0 FBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1[NH2+]Cc1ccn(C)c(=O)c1 ZINC001216401654 844588787 /nfs/dbraw/zinc/58/87/87/844588787.db2.gz OPRXSMJXYJIXHH-GDBMZVCRSA-N 2 0 350.463 -0.100 20 0 FBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC001216402129 844588176 /nfs/dbraw/zinc/58/81/76/844588176.db2.gz UGYCJVYDPNXDQR-VXGBXAGGSA-N 2 0 368.400 -0.320 20 0 FBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1[NH2+]CC(=O)Nc1nncs1 ZINC001216402177 844588288 /nfs/dbraw/zinc/58/82/88/844588288.db2.gz WNKCDSCWODTNOP-VXGBXAGGSA-N 2 0 370.479 -0.509 20 0 FBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001216404664 844588733 /nfs/dbraw/zinc/58/87/33/844588733.db2.gz AZGSACMRGNKPKJ-QLFBSQMISA-N 2 0 361.508 -0.564 20 0 FBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001216404665 844588342 /nfs/dbraw/zinc/58/83/42/844588342.db2.gz AZGSACMRGNKPKJ-RBSFLKMASA-N 2 0 361.508 -0.564 20 0 FBADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]CCN(C)S(C)(=O)=O ZINC001216405475 844588200 /nfs/dbraw/zinc/58/82/00/844588200.db2.gz NNEYOEJJAUQOSI-ZIAGYGMSSA-N 2 0 358.508 -0.590 20 0 FBADRP CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001216405724 844588815 /nfs/dbraw/zinc/58/88/15/844588815.db2.gz QNEHLYKIIVRTJB-HUUCEWRRSA-N 2 0 352.479 -0.329 20 0 FBADRP COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001216405966 844588790 /nfs/dbraw/zinc/58/87/90/844588790.db2.gz UGJMQZXLPQGAAU-HUUCEWRRSA-N 2 0 352.479 -0.329 20 0 FBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001216405980 844588240 /nfs/dbraw/zinc/58/82/40/844588240.db2.gz UWRYWWMXCOWFTK-CHWSQXEVSA-N 2 0 351.451 -0.636 20 0 FBADRP CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001216409451 844588739 /nfs/dbraw/zinc/58/87/39/844588739.db2.gz HIUDHLFHTFYRJI-FRRDWIJNSA-N 2 0 351.451 -0.637 20 0 FBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001216409453 844588854 /nfs/dbraw/zinc/58/88/54/844588854.db2.gz HIUDHLFHTFYRJI-JHJVBQTASA-N 2 0 351.451 -0.637 20 0 FBADRP C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001216413878 844588615 /nfs/dbraw/zinc/58/86/15/844588615.db2.gz VQISVPRMAIRMOU-TZMCWYRMSA-N 2 0 369.491 -0.253 20 0 FBADRP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001216458893 844589388 /nfs/dbraw/zinc/58/93/88/844589388.db2.gz GVPUVVCMUQXIFE-ZIAGYGMSSA-N 2 0 353.467 -0.293 20 0 FBADRP CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001216459385 844589871 /nfs/dbraw/zinc/58/98/71/844589871.db2.gz UYPMXLSQOJBVDG-HZSPNIEDSA-N 2 0 355.483 -0.001 20 0 FBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001216459386 844590257 /nfs/dbraw/zinc/59/02/57/844590257.db2.gz UYPMXLSQOJBVDG-MGPQQGTHSA-N 2 0 355.483 -0.001 20 0 FBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)NC(=O)NCC)C1 ZINC001216498880 844590729 /nfs/dbraw/zinc/59/07/29/844590729.db2.gz ADUSSMYIXWNEOS-HZSPNIEDSA-N 2 0 355.483 -0.001 20 0 FBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)NC(=O)NCC)C1 ZINC001216498881 844590885 /nfs/dbraw/zinc/59/08/85/844590885.db2.gz ADUSSMYIXWNEOS-MGPQQGTHSA-N 2 0 355.483 -0.001 20 0 FBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NC2CC2)C1 ZINC001216502716 844590602 /nfs/dbraw/zinc/59/06/02/844590602.db2.gz IKZVUDXQJNUYRD-TZMCWYRMSA-N 2 0 353.467 -0.247 20 0 FBADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001216506177 844590617 /nfs/dbraw/zinc/59/06/17/844590617.db2.gz DTABAVZCCPJTFU-ZIAGYGMSSA-N 2 0 353.467 -0.293 20 0 FBADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)NC(=O)NC)C1 ZINC001216510905 844590483 /nfs/dbraw/zinc/59/04/83/844590483.db2.gz CWWQGEYQGSINAA-HZSPNIEDSA-N 2 0 355.483 -0.001 20 0 FBADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)NC(=O)NC)C1 ZINC001216510906 844590409 /nfs/dbraw/zinc/59/04/09/844590409.db2.gz CWWQGEYQGSINAA-MGPQQGTHSA-N 2 0 355.483 -0.001 20 0 FBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCCS2(=O)=O)C1 ZINC001216510981 844590819 /nfs/dbraw/zinc/59/08/19/844590819.db2.gz HOEBFIMHURBIIK-HUUCEWRRSA-N 2 0 360.524 -0.200 20 0 FBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001216511029 844590557 /nfs/dbraw/zinc/59/05/57/844590557.db2.gz IZQPCTAPCIQBSI-OWCLPIDISA-N 2 0 354.495 -0.252 20 0 FBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001216511547 844590687 /nfs/dbraw/zinc/59/06/87/844590687.db2.gz SZFBZJJVTXACJL-ZIAGYGMSSA-N 2 0 353.467 -0.293 20 0 FBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC[C@H]2CCOC2)C1 ZINC001216514315 844590389 /nfs/dbraw/zinc/59/03/89/844590389.db2.gz DYLNGMHGWGTEED-BZUAXINKSA-N 2 0 354.495 -0.083 20 0 FBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC[C@@H]2CCOC2)C1 ZINC001216514316 844590523 /nfs/dbraw/zinc/59/05/23/844590523.db2.gz DYLNGMHGWGTEED-OWCLPIDISA-N 2 0 354.495 -0.083 20 0 FBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)CCc2cncn2C)C[C@H]1C ZINC001216626602 844597390 /nfs/dbraw/zinc/59/73/90/844597390.db2.gz IQEAJMZSJBJMAM-DGCLKSJQSA-N 2 0 350.423 -0.755 20 0 FBADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CCCN1C(=O)CNC1=O ZINC001216752005 844603332 /nfs/dbraw/zinc/60/33/32/844603332.db2.gz FLPIPPWGCHCWGX-HZSPNIEDSA-N 2 0 351.451 -0.684 20 0 FBADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CCCN1C(=O)CNC1=O ZINC001216752007 844602977 /nfs/dbraw/zinc/60/29/77/844602977.db2.gz FLPIPPWGCHCWGX-MGPQQGTHSA-N 2 0 351.451 -0.684 20 0 FBADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CCCS(=O)(=O)N(C)C ZINC001216752033 844603287 /nfs/dbraw/zinc/60/32/87/844603287.db2.gz GAOGEIQCIHQFQE-QLFBSQMISA-N 2 0 360.524 -0.344 20 0 FBADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CCCS(=O)(=O)N(C)C ZINC001216752034 844603013 /nfs/dbraw/zinc/60/30/13/844603013.db2.gz GAOGEIQCIHQFQE-RBSFLKMASA-N 2 0 360.524 -0.344 20 0 FBADRP CCS(=O)(=O)NCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216754076 844602885 /nfs/dbraw/zinc/60/28/85/844602885.db2.gz GQAMHXUBMVFNLD-QLFBSQMISA-N 2 0 360.524 -0.296 20 0 FBADRP CCS(=O)(=O)NCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216754077 844603375 /nfs/dbraw/zinc/60/33/75/844603375.db2.gz GQAMHXUBMVFNLD-RBSFLKMASA-N 2 0 360.524 -0.296 20 0 FBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001216754091 844603366 /nfs/dbraw/zinc/60/33/66/844603366.db2.gz HCMKIHLDVTZDJI-HZSPNIEDSA-N 2 0 353.467 -0.247 20 0 FBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001216754092 844603382 /nfs/dbraw/zinc/60/33/82/844603382.db2.gz HCMKIHLDVTZDJI-MGPQQGTHSA-N 2 0 353.467 -0.247 20 0 FBADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC001216754302 844603352 /nfs/dbraw/zinc/60/33/52/844603352.db2.gz OQFDVDQZEPNRRA-IIAWOOMASA-N 2 0 352.479 -0.330 20 0 FBADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC001216754303 844603313 /nfs/dbraw/zinc/60/33/13/844603313.db2.gz OQFDVDQZEPNRRA-IJEWVQPXSA-N 2 0 352.479 -0.330 20 0 FBADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001216754331 844602904 /nfs/dbraw/zinc/60/29/04/844602904.db2.gz PMPDXNWGAYFSFR-MBNYWOFBSA-N 2 0 351.451 -0.637 20 0 FBADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001216754332 844603305 /nfs/dbraw/zinc/60/33/05/844603305.db2.gz PMPDXNWGAYFSFR-YRGRVCCFSA-N 2 0 351.451 -0.637 20 0 FBADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CC(=O)Nc1nncs1 ZINC001216754334 844603142 /nfs/dbraw/zinc/60/31/42/844603142.db2.gz POGYBWRHFIVMPQ-GRYCIOLGSA-N 2 0 352.464 -0.135 20 0 FBADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CC(=O)Nc1nncs1 ZINC001216754335 844603171 /nfs/dbraw/zinc/60/31/71/844603171.db2.gz POGYBWRHFIVMPQ-IJLUTSLNSA-N 2 0 352.464 -0.135 20 0 FBADRP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216754417 844603202 /nfs/dbraw/zinc/60/32/02/844603202.db2.gz TVUIXRBTEIMIMD-HZSPNIEDSA-N 2 0 353.467 -0.390 20 0 FBADRP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216754418 844602788 /nfs/dbraw/zinc/60/27/88/844602788.db2.gz TVUIXRBTEIMIMD-MGPQQGTHSA-N 2 0 353.467 -0.390 20 0 FBADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC001216754442 844602808 /nfs/dbraw/zinc/60/28/08/844602808.db2.gz UYGZIXSLVXGLIA-GDBMZVCRSA-N 2 0 352.479 -0.186 20 0 FBADRP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001216755739 844604210 /nfs/dbraw/zinc/60/42/10/844604210.db2.gz BGHUESFQKGSIBJ-ZIAGYGMSSA-N 2 0 353.467 -0.246 20 0 FBADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001216755817 844603886 /nfs/dbraw/zinc/60/38/86/844603886.db2.gz FWLVIQYTGSXEMF-BZUAXINKSA-N 2 0 352.479 -0.186 20 0 FBADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001216755818 844604225 /nfs/dbraw/zinc/60/42/25/844604225.db2.gz FWLVIQYTGSXEMF-OWCLPIDISA-N 2 0 352.479 -0.186 20 0 FBADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001216756034 844604101 /nfs/dbraw/zinc/60/41/01/844604101.db2.gz PGLRJADQWUBQRP-TZMCWYRMSA-N 2 0 351.451 -0.493 20 0 FBADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]C[C@H](O)CN1CCCC1=O ZINC001216756044 844604168 /nfs/dbraw/zinc/60/41/68/844604168.db2.gz PQMIQSQVTYRQOL-OWCLPIDISA-N 2 0 352.479 -0.498 20 0 FBADRP CCS(=O)(=O)NCCC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001216756174 844604182 /nfs/dbraw/zinc/60/41/82/844604182.db2.gz VRKXLIJUGLODSR-HUUCEWRRSA-N 2 0 360.524 -0.152 20 0 FBADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]CCCS(=O)(=O)N(C)C ZINC001216757536 844604022 /nfs/dbraw/zinc/60/40/22/844604022.db2.gz CIWAHINNHBCIIG-HUUCEWRRSA-N 2 0 360.524 -0.200 20 0 FBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001216757580 844603976 /nfs/dbraw/zinc/60/39/76/844603976.db2.gz DHUSYRDOXUVSGG-QLFBSQMISA-N 2 0 361.508 -0.564 20 0 FBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001216757581 844603869 /nfs/dbraw/zinc/60/38/69/844603869.db2.gz DHUSYRDOXUVSGG-RBSFLKMASA-N 2 0 361.508 -0.564 20 0 FBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001216757730 844603954 /nfs/dbraw/zinc/60/39/54/844603954.db2.gz KCXKFTZLGBQUTC-IIAWOOMASA-N 2 0 352.479 -0.330 20 0 FBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001216757731 844604054 /nfs/dbraw/zinc/60/40/54/844604054.db2.gz KCXKFTZLGBQUTC-IJEWVQPXSA-N 2 0 352.479 -0.330 20 0 FBADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]CCCN1C(=O)CNC1=O ZINC001216757752 844604235 /nfs/dbraw/zinc/60/42/35/844604235.db2.gz KUMJDGCBXQLRCF-ZIAGYGMSSA-N 2 0 351.451 -0.539 20 0 FBADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001216757780 844604028 /nfs/dbraw/zinc/60/40/28/844604028.db2.gz LRCVDDTZHDTXIL-BZUAXINKSA-N 2 0 352.479 -0.329 20 0 FBADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001216757781 844604231 /nfs/dbraw/zinc/60/42/31/844604231.db2.gz LRCVDDTZHDTXIL-OWCLPIDISA-N 2 0 352.479 -0.329 20 0 FBADRP CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001216757849 844603848 /nfs/dbraw/zinc/60/38/48/844603848.db2.gz OCDUZPSXDXKPMK-BZUAXINKSA-N 2 0 354.495 -0.131 20 0 FBADRP CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001216757850 844604268 /nfs/dbraw/zinc/60/42/68/844604268.db2.gz OCDUZPSXDXKPMK-OWCLPIDISA-N 2 0 354.495 -0.131 20 0 FBADRP CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001216757890 844604173 /nfs/dbraw/zinc/60/41/73/844604173.db2.gz PYTCQKKCWSDXJM-BZUAXINKSA-N 2 0 354.495 -0.083 20 0 FBADRP CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001216757891 844603809 /nfs/dbraw/zinc/60/38/09/844603809.db2.gz PYTCQKKCWSDXJM-OWCLPIDISA-N 2 0 354.495 -0.083 20 0 FBADRP CC(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001216757910 844604075 /nfs/dbraw/zinc/60/40/75/844604075.db2.gz QNILZXIBJBFBPB-BZUAXINKSA-N 2 0 354.495 -0.084 20 0 FBADRP CC(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001216757911 844604156 /nfs/dbraw/zinc/60/41/56/844604156.db2.gz QNILZXIBJBFBPB-OWCLPIDISA-N 2 0 354.495 -0.084 20 0 FBADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001216772841 844605776 /nfs/dbraw/zinc/60/57/76/844605776.db2.gz MTWDTFZQORSRCZ-ZIAGYGMSSA-N 2 0 353.467 -0.116 20 0 FBADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001216830266 844611200 /nfs/dbraw/zinc/61/12/00/844611200.db2.gz NHJWLVPUTOQLQZ-ZIAGYGMSSA-N 2 0 350.467 -0.079 20 0 FBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001216834382 844611691 /nfs/dbraw/zinc/61/16/91/844611691.db2.gz PAKWCPRFXVGJMT-ZIAGYGMSSA-N 2 0 353.467 -0.246 20 0 FBADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001216835657 844611268 /nfs/dbraw/zinc/61/12/68/844611268.db2.gz AFBFFHIHDJVNRY-HUUCEWRRSA-N 2 0 360.524 -0.152 20 0 FBADRP C[C@H]([NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C)C(=O)NC(N)=O ZINC001216835819 844612267 /nfs/dbraw/zinc/61/22/67/844612267.db2.gz IRAVTTWCQJUHLT-HZSPNIEDSA-N 2 0 353.467 -0.118 20 0 FBADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C)C(=O)NC(N)=O ZINC001216835820 844612245 /nfs/dbraw/zinc/61/22/45/844612245.db2.gz IRAVTTWCQJUHLT-MGPQQGTHSA-N 2 0 353.467 -0.118 20 0 FBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001216839134 844612805 /nfs/dbraw/zinc/61/28/05/844612805.db2.gz NOPAOHJCTMDKDF-ZIAGYGMSSA-N 2 0 353.467 -0.246 20 0 FBADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001216839638 844612288 /nfs/dbraw/zinc/61/22/88/844612288.db2.gz ZTPSOKMVVGWYRS-HUUCEWRRSA-N 2 0 360.524 -0.152 20 0 FBADRP C[C@H]([NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C)C(=O)NC(N)=O ZINC001216840921 844612317 /nfs/dbraw/zinc/61/23/17/844612317.db2.gz JSTJJNUPDMBDJO-HZSPNIEDSA-N 2 0 353.467 -0.118 20 0 FBADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C)C(=O)NC(N)=O ZINC001216840923 844612747 /nfs/dbraw/zinc/61/27/47/844612747.db2.gz JSTJJNUPDMBDJO-MGPQQGTHSA-N 2 0 353.467 -0.118 20 0 FBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001216844396 844613319 /nfs/dbraw/zinc/61/33/19/844613319.db2.gz AIGYXZAYMFUJSM-MCIONIFRSA-N 2 0 353.467 -0.247 20 0 FBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001216844397 844613444 /nfs/dbraw/zinc/61/34/44/844613444.db2.gz AIGYXZAYMFUJSM-MGPQQGTHSA-N 2 0 353.467 -0.247 20 0 FBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001216844915 844613474 /nfs/dbraw/zinc/61/34/74/844613474.db2.gz OAISIRKEZLOCGY-KFWWJZLASA-N 2 0 360.524 -0.154 20 0 FBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001216844916 844613531 /nfs/dbraw/zinc/61/35/31/844613531.db2.gz OAISIRKEZLOCGY-RBSFLKMASA-N 2 0 360.524 -0.154 20 0 FBADRP CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1)[NH+]1CCCC1 ZINC001216846626 844613418 /nfs/dbraw/zinc/61/34/18/844613418.db2.gz QGPAJFPFNXKTFM-NFAWXSAZSA-N 2 0 353.467 -0.262 20 0 FBADRP CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1)[NH+]1CCCC1 ZINC001216846627 844613744 /nfs/dbraw/zinc/61/37/44/844613744.db2.gz QGPAJFPFNXKTFM-UMVBOHGHSA-N 2 0 353.467 -0.262 20 0 FBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC[C@H]2CCOC2)C1 ZINC001216851572 844615532 /nfs/dbraw/zinc/61/55/32/844615532.db2.gz ALJVFTUUCFTXMX-BZUAXINKSA-N 2 0 354.495 -0.084 20 0 FBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC[C@@H]2CCOC2)C1 ZINC001216851573 844615448 /nfs/dbraw/zinc/61/54/48/844615448.db2.gz ALJVFTUUCFTXMX-OWCLPIDISA-N 2 0 354.495 -0.084 20 0 FBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCCS2(=O)=O)C1 ZINC001216851779 844615577 /nfs/dbraw/zinc/61/55/77/844615577.db2.gz IEQWSNJIMWFPGZ-HUUCEWRRSA-N 2 0 360.524 -0.201 20 0 FBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001216852121 844615499 /nfs/dbraw/zinc/61/54/99/844615499.db2.gz QADJXNIBHLPEAI-ZIAGYGMSSA-N 2 0 353.467 -0.295 20 0 FBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001216852328 844615175 /nfs/dbraw/zinc/61/51/75/844615175.db2.gz UKGUFKSLZWUCSI-OWCLPIDISA-N 2 0 354.495 -0.254 20 0 FBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NC2CC2)C1 ZINC001216852403 844615125 /nfs/dbraw/zinc/61/51/25/844615125.db2.gz YFXRWTFWGACTCE-TZMCWYRMSA-N 2 0 353.467 -0.249 20 0 FBADRP C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001216980000 844618409 /nfs/dbraw/zinc/61/84/09/844618409.db2.gz FIGCJZNMTLWBNA-ZIAGYGMSSA-N 2 0 353.467 -0.116 20 0 FBADRP COCCOC[C@H](O)C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001217005394 844619684 /nfs/dbraw/zinc/61/96/84/844619684.db2.gz ICDVAJHSOOTQRG-DJIMGWMZSA-N 2 0 357.495 -0.211 20 0 FBADRP COCCOC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001217005403 844619196 /nfs/dbraw/zinc/61/91/96/844619196.db2.gz ICDVAJHSOOTQRG-HYVNUMGLSA-N 2 0 357.495 -0.211 20 0 FBADRP CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001217005542 844619564 /nfs/dbraw/zinc/61/95/64/844619564.db2.gz JQQIAHQAHCCFPO-RHSMWYFYSA-N 2 0 354.495 -0.083 20 0 FBADRP CN1CCO[C@H](C(=O)N2CCO[C@@H]3CN(CCOCC4CC4)C[C@@H]32)C1 ZINC001217595792 844657049 /nfs/dbraw/zinc/65/70/49/844657049.db2.gz RSFCRBRLHUTUEJ-BBWFWOEESA-N 2 0 353.463 -0.345 20 0 FBADRP CN1CCO[C@@H](C(=O)N2CCO[C@@H]3CN(CCOCC4CC4)C[C@@H]32)C1 ZINC001217595794 844657495 /nfs/dbraw/zinc/65/74/95/844657495.db2.gz RSFCRBRLHUTUEJ-GVDBMIGSSA-N 2 0 353.463 -0.345 20 0 FBADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@H]1COC2(C[NH2+]C2)C1 ZINC001218061750 844685330 /nfs/dbraw/zinc/68/53/30/844685330.db2.gz YEHKYWUBASEIFI-SECBINFHSA-N 2 0 352.391 -0.730 20 0 FBADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@@H]1COC2(C[NH2+]C2)C1 ZINC001218061764 844685809 /nfs/dbraw/zinc/68/58/09/844685809.db2.gz YEHKYWUBASEIFI-VIFPVBQESA-N 2 0 352.391 -0.730 20 0 FBADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@H]1CSC2(C[NH2+]C2)C1 ZINC001218102338 844689121 /nfs/dbraw/zinc/68/91/21/844689121.db2.gz NQGORZBPXAIEQG-SECBINFHSA-N 2 0 368.459 -0.013 20 0 FBADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@@H]1CSC2(C[NH2+]C2)C1 ZINC001218102339 844689291 /nfs/dbraw/zinc/68/92/91/844689291.db2.gz NQGORZBPXAIEQG-VIFPVBQESA-N 2 0 368.459 -0.013 20 0 FBADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1OC[C@@H]1C[NH2+]CCCO1 ZINC001218300249 844704355 /nfs/dbraw/zinc/70/43/55/844704355.db2.gz PWOONTRVBDVPGK-JTQLQIEISA-N 2 0 354.407 -0.482 20 0 FBADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1OC[C@H]1C[NH2+]CCCO1 ZINC001218300253 844703642 /nfs/dbraw/zinc/70/36/42/844703642.db2.gz PWOONTRVBDVPGK-SNVBAGLBSA-N 2 0 354.407 -0.482 20 0 FBADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1OCCO[C@H]1CC[NH2+]C1 ZINC001218389562 844707238 /nfs/dbraw/zinc/70/72/38/844707238.db2.gz ZWCKHYYMNSILRB-JTQLQIEISA-N 2 0 354.407 -0.482 20 0 FBADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1OCCO[C@@H]1CC[NH2+]C1 ZINC001218389563 844707126 /nfs/dbraw/zinc/70/71/26/844707126.db2.gz ZWCKHYYMNSILRB-SNVBAGLBSA-N 2 0 354.407 -0.482 20 0 FBADRP COc1nn(C)cc1NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001218505285 844711533 /nfs/dbraw/zinc/71/15/33/844711533.db2.gz PQBFCGOUWOWHGV-AAEUAGOBSA-N 2 0 352.439 -0.186 20 0 FBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)Nc1ccc(C(=O)N2CCOCC2)cn1 ZINC001218511545 844710975 /nfs/dbraw/zinc/71/09/75/844710975.db2.gz VVCAGMMAHSVXJU-LBPRGKRZSA-N 2 0 353.448 -0.488 20 0 FBADRP COC(=O)c1nc(Br)cnc1NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218525506 844712740 /nfs/dbraw/zinc/71/27/40/844712740.db2.gz YBRLJWPLCAQLRV-SSDOTTSWSA-N 2 0 370.207 -0.227 20 0 FBADRP COC(=O)c1nc(Br)cnc1NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218525565 844712763 /nfs/dbraw/zinc/71/27/63/844712763.db2.gz YBRLJWPLCAQLRV-ZETCQYMHSA-N 2 0 370.207 -0.227 20 0 FBADRP COC[C@@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@H]2C1 ZINC001218527655 844712824 /nfs/dbraw/zinc/71/28/24/844712824.db2.gz KFZYSFHBPPMIQI-QUSNUVHPSA-N 2 0 355.479 -0.364 20 0 FBADRP COC[C@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@H]2C1 ZINC001218527656 844712174 /nfs/dbraw/zinc/71/21/74/844712174.db2.gz KFZYSFHBPPMIQI-ZOFXXKQRSA-N 2 0 355.479 -0.364 20 0 FBADRP [NH3+][C@@H]1CCc2nc(NC(=O)[C@@H]3CCS(=O)(=O)C34C[NH2+]C4)sc2C1 ZINC001218532196 844712787 /nfs/dbraw/zinc/71/27/87/844712787.db2.gz FIANLMLJVYMOCH-BDAKNGLRSA-N 2 0 356.473 -0.326 20 0 FBADRP [NH3+][C@H]1CCc2nc(NC(=O)[C@H]3CCS(=O)(=O)C34C[NH2+]C4)sc2C1 ZINC001218532199 844712356 /nfs/dbraw/zinc/71/23/56/844712356.db2.gz FIANLMLJVYMOCH-DTWKUNHWSA-N 2 0 356.473 -0.326 20 0 FBADRP [NH3+][C@H]1CCc2nc(NC(=O)[C@@H]3CCS(=O)(=O)C34C[NH2+]C4)sc2C1 ZINC001218532201 844712449 /nfs/dbraw/zinc/71/24/49/844712449.db2.gz FIANLMLJVYMOCH-IUCAKERBSA-N 2 0 356.473 -0.326 20 0 FBADRP [NH3+][C@@H]1CCc2nc(NC(=O)[C@H]3CCS(=O)(=O)C34C[NH2+]C4)sc2C1 ZINC001218532202 844712430 /nfs/dbraw/zinc/71/24/30/844712430.db2.gz FIANLMLJVYMOCH-RKDXNWHRSA-N 2 0 356.473 -0.326 20 0 FBADRP COc1cc(NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])ncn1 ZINC001218536280 844713564 /nfs/dbraw/zinc/71/35/64/844713564.db2.gz RKUCYKGRXGMOPW-RYUDHWBXSA-N 2 0 350.423 -0.129 20 0 FBADRP C[NH+](C)CC1(C(=O)N2CCO[C@@H]3C[N@@H+]([C@@H]4CCCNC4=O)C[C@@H]32)CC1 ZINC001218550673 844713766 /nfs/dbraw/zinc/71/37/66/844713766.db2.gz JDWOKEKZBBYZOK-QLFBSQMISA-N 2 0 350.463 -0.482 20 0 FBADRP C[NH+](C)CC1(C(=O)N2CCO[C@@H]3C[N@@H+]([C@H]4CCCNC4=O)C[C@@H]32)CC1 ZINC001218550674 844713960 /nfs/dbraw/zinc/71/39/60/844713960.db2.gz JDWOKEKZBBYZOK-SOUVJXGZSA-N 2 0 350.463 -0.482 20 0 FBADRP CCOC(=O)c1snc(C(N)=O)c1NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001218551641 844713991 /nfs/dbraw/zinc/71/39/91/844713991.db2.gz IHSQACXQTBNQGR-LURJTMIESA-N 2 0 361.449 -0.624 20 0 FBADRP CCOC(=O)c1snc(C(N)=O)c1NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001218552116 844713795 /nfs/dbraw/zinc/71/37/95/844713795.db2.gz NCNDTTLZNVTFMC-MRVPVSSYSA-N 2 0 355.420 -0.316 20 0 FBADRP CCOC(=O)c1snc(C(N)=O)c1NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001218552131 844714036 /nfs/dbraw/zinc/71/40/36/844714036.db2.gz NCNDTTLZNVTFMC-QMMMGPOBSA-N 2 0 355.420 -0.316 20 0 FBADRP CCOC(=O)c1snc(C(N)=O)c1NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001218556187 844715236 /nfs/dbraw/zinc/71/52/36/844715236.db2.gz WZSVVZBVSSUWIG-ANRSDYALSA-N 2 0 367.431 -0.444 20 0 FBADRP CCN1CC[C@H]([N@@H+]2C[C@H]3OCCN(C(=O)CCC[NH+](C)C)[C@H]3C2)C1=O ZINC001218557703 844715176 /nfs/dbraw/zinc/71/51/76/844715176.db2.gz HYGLSOKTZAREOK-HRCADAONSA-N 2 0 352.479 -0.139 20 0 FBADRP CCN1CC[C@@H]([N@@H+]2C[C@H]3OCCN(C(=O)CCC[NH+](C)C)[C@H]3C2)C1=O ZINC001218557704 844715191 /nfs/dbraw/zinc/71/51/91/844715191.db2.gz HYGLSOKTZAREOK-OWCLPIDISA-N 2 0 352.479 -0.139 20 0 FBADRP Cc1nc(NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])cc(=O)[nH]1 ZINC001218565676 844715775 /nfs/dbraw/zinc/71/57/75/844715775.db2.gz ZGFCVEULYCPHJI-RYUDHWBXSA-N 2 0 350.423 -0.124 20 0 FBADRP O=C(Nc1ncnn2c(Br)ccc12)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218567233 844715851 /nfs/dbraw/zinc/71/58/51/844715851.db2.gz PDNIXMFRIOFSMG-MRVPVSSYSA-N 2 0 351.208 -0.339 20 0 FBADRP O=C(Nc1ncnn2c(Br)ccc12)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218567235 844716314 /nfs/dbraw/zinc/71/63/14/844716314.db2.gz PDNIXMFRIOFSMG-QMMMGPOBSA-N 2 0 351.208 -0.339 20 0 FBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)Nc1ncnn2c(Br)ccc12 ZINC001218567299 844716064 /nfs/dbraw/zinc/71/60/64/844716064.db2.gz NBKHKXBPTKVJAE-ZETCQYMHSA-N 2 0 359.253 -0.129 20 0 FBADRP CCCN=c1c(N)c(Cl)ncn1C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218571316 844716150 /nfs/dbraw/zinc/71/61/50/844716150.db2.gz FDVIVXLONLGHNS-LLVKDONJSA-N 2 0 355.874 -0.180 20 0 FBADRP CCCN=c1c(N)c(Cl)ncn1C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218571320 844716481 /nfs/dbraw/zinc/71/64/81/844716481.db2.gz FDVIVXLONLGHNS-NSHDSACASA-N 2 0 355.874 -0.180 20 0 FBADRP C[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+](C[C@H](O)Cn3cccn3)C[C@@H]21 ZINC001218582141 844717495 /nfs/dbraw/zinc/71/74/95/844717495.db2.gz NICMCYTVBYVACM-HRCADAONSA-N 2 0 351.451 -0.893 20 0 FBADRP C[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+](C[C@@H](O)Cn3cccn3)C[C@@H]21 ZINC001218582143 844717203 /nfs/dbraw/zinc/71/72/03/844717203.db2.gz NICMCYTVBYVACM-OWCLPIDISA-N 2 0 351.451 -0.893 20 0 FBADRP C[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+](CCCN3CCCC3=O)C[C@@H]21 ZINC001218582994 844716965 /nfs/dbraw/zinc/71/69/65/844716965.db2.gz WAQMJFZHNFUPMS-JKSUJKDBSA-N 2 0 352.479 -0.138 20 0 FBADRP COc1ncc(NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])cn1 ZINC001218593175 844718529 /nfs/dbraw/zinc/71/85/29/844718529.db2.gz FAOWZONUOJPSTN-STQMWFEESA-N 2 0 350.423 -0.129 20 0 FBADRP COC(=O)c1c[nH]c(C(=O)OC)c1NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001218597595 844717861 /nfs/dbraw/zinc/71/78/61/844717861.db2.gz ZCUVXESYHABWFL-JDNHERCYSA-N 2 0 350.375 -0.275 20 0 FBADRP CC(C)N1CC[C@H]([N@@H+]2C[C@H]3OCCN(C(=O)CC[NH+](C)C)[C@H]3C2)C1=O ZINC001218600774 844718098 /nfs/dbraw/zinc/71/80/98/844718098.db2.gz NDXVFQAQNDXFLF-HRCADAONSA-N 2 0 352.479 -0.141 20 0 FBADRP CC(C)N1CC[C@@H]([N@@H+]2C[C@H]3OCCN(C(=O)CC[NH+](C)C)[C@H]3C2)C1=O ZINC001218600775 844717970 /nfs/dbraw/zinc/71/79/70/844717970.db2.gz NDXVFQAQNDXFLF-OWCLPIDISA-N 2 0 352.479 -0.141 20 0 FBADRP CC(C)COC[C@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218600909 844718136 /nfs/dbraw/zinc/71/81/36/844718136.db2.gz SCLIMYVBXCXOHT-IXDOHACOSA-N 2 0 357.495 -0.117 20 0 FBADRP CC(C)COC[C@@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218600910 844718636 /nfs/dbraw/zinc/71/86/36/844718636.db2.gz SCLIMYVBXCXOHT-YESZJQIVSA-N 2 0 357.495 -0.117 20 0 FBADRP N=c1ccc(F)c(N)n1C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001218604143 844719049 /nfs/dbraw/zinc/71/90/49/844719049.db2.gz MGFAQVMUSWDDAJ-RYUDHWBXSA-N 2 0 352.414 -0.224 20 0 FBADRP Nc1cn(C(=O)[C@@H]([NH3+])CCCC[NH3+])ccc1=[NH+]CCN1CCOCC1 ZINC001218619339 844720475 /nfs/dbraw/zinc/72/04/75/844720475.db2.gz FGGUSAWODOBYOR-AWEZNQCLSA-N 3 0 350.467 -0.600 20 0 FBADRP Nc1cn(C(=O)[C@H]2CC[NH2+]C[C@@H]2F)ccc1=[NH+]CCN1CCOCC1 ZINC001218620889 844721555 /nfs/dbraw/zinc/72/15/55/844721555.db2.gz RSFLIYAPLXKQNP-KBPBESRZSA-N 2 0 351.426 -0.109 20 0 FBADRP Nc1cn(C(=O)[C@@H]2CC[NH2+]C[C@@H]2F)ccc1=[NH+]CCN1CCOCC1 ZINC001218620894 844721907 /nfs/dbraw/zinc/72/19/07/844721907.db2.gz RSFLIYAPLXKQNP-KGLIPLIRSA-N 2 0 351.426 -0.109 20 0 FBADRP Nc1cn(C(=O)[C@H]2CC[NH2+]C[C@H]2F)ccc1=[NH+]CCN1CCOCC1 ZINC001218620896 844721319 /nfs/dbraw/zinc/72/13/19/844721319.db2.gz RSFLIYAPLXKQNP-UONOGXRCSA-N 2 0 351.426 -0.109 20 0 FBADRP Nc1cn(C(=O)[C@@H]2CC[NH2+]C[C@H]2F)ccc1=[NH+]CCN1CCOCC1 ZINC001218620897 844721926 /nfs/dbraw/zinc/72/19/26/844721926.db2.gz RSFLIYAPLXKQNP-ZIAGYGMSSA-N 2 0 351.426 -0.109 20 0 FBADRP C[S@](=O)CC[C@H]([NH3+])C(=O)n1ccc(=[NH+]CCN2CCOCC2)c(N)c1 ZINC001218621400 844721652 /nfs/dbraw/zinc/72/16/52/844721652.db2.gz UCIJLIZTSCDCID-CANCMXDXSA-N 2 0 369.491 -0.961 20 0 FBADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)n1ccc(=[NH+]CCN2CCOCC2)c(N)c1 ZINC001218621402 844721357 /nfs/dbraw/zinc/72/13/57/844721357.db2.gz UCIJLIZTSCDCID-ZJWNCGCPSA-N 2 0 369.491 -0.961 20 0 FBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1csc(N2CCOCC2)n1 ZINC001218622466 844721158 /nfs/dbraw/zinc/72/11/58/844721158.db2.gz SKVPQPQGDMMDKC-GFCCVEGCSA-N 2 0 354.480 -0.331 20 0 FBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1csc(N2CCOCC2)n1 ZINC001218622467 844722037 /nfs/dbraw/zinc/72/20/37/844722037.db2.gz SKVPQPQGDMMDKC-LBPRGKRZSA-N 2 0 354.480 -0.331 20 0 FBADRP N=c1c(N)cnc(Cl)n1C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001218622595 844721221 /nfs/dbraw/zinc/72/12/21/844721221.db2.gz UERJVTPGHYQYFB-ONGXEEELSA-N 2 0 369.857 -0.314 20 0 FBADRP O=C(Nc1cnn(C2C[NH2+]C2)c1)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001218640892 844722741 /nfs/dbraw/zinc/72/27/41/844722741.db2.gz NDLZHZSNSSRCMQ-CYBMUJFWSA-N 2 0 353.448 -0.620 20 0 FBADRP O=C(Nc1cnn(C2C[NH2+]C2)c1)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001218640896 844722451 /nfs/dbraw/zinc/72/24/51/844722451.db2.gz NDLZHZSNSSRCMQ-ZDUSSCGKSA-N 2 0 353.448 -0.620 20 0 FBADRP C[C@H](COCC(=O)N1CCO[C@@H]2C[N@H+](CCCO)C[C@@H]21)[NH+]1CCCC1 ZINC001218651049 844722945 /nfs/dbraw/zinc/72/29/45/844722945.db2.gz SMQOMOQDVPLQPD-IXDOHACOSA-N 2 0 355.479 -0.219 20 0 FBADRP C[C@@H](COCC(=O)N1CCO[C@@H]2C[N@H+](CCCO)C[C@@H]21)[NH+]1CCCC1 ZINC001218651051 844722640 /nfs/dbraw/zinc/72/26/40/844722640.db2.gz SMQOMOQDVPLQPD-YESZJQIVSA-N 2 0 355.479 -0.219 20 0 FBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1nc(Cl)c(Cl)nc1CO ZINC001218654736 844723912 /nfs/dbraw/zinc/72/39/12/844723912.db2.gz NZRKBRJUQLWWED-MRVPVSSYSA-N 2 0 363.249 -0.035 20 0 FBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1nc(Cl)c(Cl)nc1CO ZINC001218654738 844724252 /nfs/dbraw/zinc/72/42/52/844724252.db2.gz NZRKBRJUQLWWED-QMMMGPOBSA-N 2 0 363.249 -0.035 20 0 FBADRP Nc1cc[nH]c(=O)c1NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001218679132 844725519 /nfs/dbraw/zinc/72/55/19/844725519.db2.gz OGIJJHZVQHKVHV-RYUDHWBXSA-N 2 0 350.423 -0.245 20 0 FBADRP CC(=O)NCSC[C@H]([NH3+])C(=O)N(c1ncccc1N)C1CC[NH2+]CC1 ZINC001218696088 844726670 /nfs/dbraw/zinc/72/66/70/844726670.db2.gz MQPHFSMWPOTDNN-AWEZNQCLSA-N 2 0 366.491 -0.097 20 0 FBADRP COCn1cc(NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])cn1 ZINC001218701252 844728653 /nfs/dbraw/zinc/72/86/53/844728653.db2.gz UBRVLMJGLGAGNQ-KBPBESRZSA-N 2 0 352.439 -0.127 20 0 FBADRP NC(=O)c1cnoc1NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001218702847 844728707 /nfs/dbraw/zinc/72/87/07/844728707.db2.gz XPUMSCFMSKPYEX-QWRGUYRKSA-N 2 0 352.395 -0.841 20 0 FBADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)Nc1cc([C@H]2CCC[NH2+]2)no1)C(N)=O ZINC001218710651 844729588 /nfs/dbraw/zinc/72/95/88/844729588.db2.gz GUGOIQVUTUDZGY-IVZWLZJFSA-N 2 0 352.395 -0.865 20 0 FBADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)Nc1cc([C@@H]2CCC[NH2+]2)no1)C(N)=O ZINC001218710666 844729237 /nfs/dbraw/zinc/72/92/37/844729237.db2.gz GUGOIQVUTUDZGY-LPEHRKFASA-N 2 0 352.395 -0.865 20 0 FBADRP COC[C@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)CC3CC[NH+](C)CC3)[C@H]2C1 ZINC001218722696 844730538 /nfs/dbraw/zinc/73/05/38/844730538.db2.gz FLWLYAWQBMBBDY-IXDOHACOSA-N 2 0 355.479 -0.363 20 0 FBADRP COC[C@@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)CC3CC[NH+](C)CC3)[C@H]2C1 ZINC001218722698 844730645 /nfs/dbraw/zinc/73/06/45/844730645.db2.gz FLWLYAWQBMBBDY-YESZJQIVSA-N 2 0 355.479 -0.363 20 0 FBADRP CS(=O)(=O)N(CC[NH3+])CC(=O)Nc1ccc(N2CCC([NH3+])CC2)nc1 ZINC001218724563 844730706 /nfs/dbraw/zinc/73/07/06/844730706.db2.gz JRGVINOXSWELOT-UHFFFAOYSA-N 2 0 370.479 -0.832 20 0 FBADRP O=C(Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1)[C@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001218727465 844730376 /nfs/dbraw/zinc/73/03/76/844730376.db2.gz MXBNQYVXEJKRMF-CHWSQXEVSA-N 2 0 366.443 -0.463 20 0 FBADRP O=C(Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001218727466 844730118 /nfs/dbraw/zinc/73/01/18/844730118.db2.gz MXBNQYVXEJKRMF-OLZOCXBDSA-N 2 0 366.443 -0.463 20 0 FBADRP CC(=O)NCSC[C@H]([NH3+])C(=O)Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1 ZINC001218728113 844730682 /nfs/dbraw/zinc/73/06/82/844730682.db2.gz SFMLIOJEABGTFM-OLZOCXBDSA-N 2 0 353.448 -0.085 20 0 FBADRP Nc1cnc(N(CC(F)(F)F)C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)nc1 ZINC001218740053 844731910 /nfs/dbraw/zinc/73/19/10/844731910.db2.gz OPFJWQRBLZGVFP-LLVKDONJSA-N 2 0 361.372 -0.296 20 0 FBADRP Nc1cnc(N(CC(F)(F)F)C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)nc1 ZINC001218740054 844731853 /nfs/dbraw/zinc/73/18/53/844731853.db2.gz OPFJWQRBLZGVFP-NSHDSACASA-N 2 0 361.372 -0.296 20 0 FBADRP CN(C)c1cc(NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])[nH]n1 ZINC001218743048 844731636 /nfs/dbraw/zinc/73/16/36/844731636.db2.gz MRYJMARTVDOUQO-RYUDHWBXSA-N 2 0 351.455 -0.139 20 0 FBADRP CCC[N@@H+]1CCc2c(N)sc(NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)c2C1 ZINC001218755042 844732647 /nfs/dbraw/zinc/73/26/47/844732647.db2.gz YSVYEYFBQABSNN-CABZTGNLSA-N 2 0 369.491 -0.139 20 0 FBADRP Nc1ncn(C(=O)C2([NH3+])CCCC2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218774752 844734510 /nfs/dbraw/zinc/73/45/10/844734510.db2.gz AUNBVCFPHPOILN-GHMZBOCLSA-N 2 0 368.869 -0.099 20 0 FBADRP Nc1ncn(C(=O)C2([NH3+])CCCC2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218774753 844734379 /nfs/dbraw/zinc/73/43/79/844734379.db2.gz AUNBVCFPHPOILN-MNOVXSKESA-N 2 0 368.869 -0.099 20 0 FBADRP Nc1ncn(C(=O)C2([NH3+])CCCC2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218774754 844734328 /nfs/dbraw/zinc/73/43/28/844734328.db2.gz AUNBVCFPHPOILN-QWRGUYRKSA-N 2 0 368.869 -0.099 20 0 FBADRP Nc1ncn(C(=O)C2([NH3+])CCCC2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218774755 844734985 /nfs/dbraw/zinc/73/49/85/844734985.db2.gz AUNBVCFPHPOILN-WDEREUQCSA-N 2 0 368.869 -0.099 20 0 FBADRP Nc1ncn(C(=O)[C@@H]2[NH2+]C[C@H]3C[C@H]32)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218775128 844734395 /nfs/dbraw/zinc/73/43/95/844734395.db2.gz FZWJHNQCQGOWPZ-FTEPDLOASA-N 2 0 366.853 -0.762 20 0 FBADRP Nc1ncn(C(=O)[C@@H]2[NH2+]C[C@H]3C[C@H]32)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218775129 844734418 /nfs/dbraw/zinc/73/44/18/844734418.db2.gz FZWJHNQCQGOWPZ-VDWIVTDKSA-N 2 0 366.853 -0.762 20 0 FBADRP Nc1ncn(C(=O)[C@@H]2[NH2+]C[C@H]3C[C@H]32)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218775130 844734996 /nfs/dbraw/zinc/73/49/96/844734996.db2.gz FZWJHNQCQGOWPZ-ZZBQETCWSA-N 2 0 366.853 -0.762 20 0 FBADRP Nc1ncn(C(=O)[C@@H]2[NH2+]C[C@H]3C[C@H]32)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218775131 844734698 /nfs/dbraw/zinc/73/46/98/844734698.db2.gz FZWJHNQCQGOWPZ-ZZZDWPBISA-N 2 0 366.853 -0.762 20 0 FBADRP Nc1ncn(C(=O)C2CC[NH2+]CC2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218775372 844734413 /nfs/dbraw/zinc/73/44/13/844734413.db2.gz HTDPBJAVLAAKQY-NEPJUHHUSA-N 2 0 368.869 -0.370 20 0 FBADRP Nc1ncn(C(=O)C2CC[NH2+]CC2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218775373 844734337 /nfs/dbraw/zinc/73/43/37/844734337.db2.gz HTDPBJAVLAAKQY-NWDGAFQWSA-N 2 0 368.869 -0.370 20 0 FBADRP Nc1ncn(C(=O)C2CC[NH2+]CC2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218775374 844734885 /nfs/dbraw/zinc/73/48/85/844734885.db2.gz HTDPBJAVLAAKQY-RYUDHWBXSA-N 2 0 368.869 -0.370 20 0 FBADRP Nc1ncn(C(=O)C2CC[NH2+]CC2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218775375 844734390 /nfs/dbraw/zinc/73/43/90/844734390.db2.gz HTDPBJAVLAAKQY-VXGBXAGGSA-N 2 0 368.869 -0.370 20 0 FBADRP CC(C)[C@H]([NH3+])C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@H]1O ZINC001218775585 844734919 /nfs/dbraw/zinc/73/49/19/844734919.db2.gz DATJIVSRGAVQQB-FOGDFJRCSA-N 2 0 356.858 -0.387 20 0 FBADRP CC(C)[C@H]([NH3+])C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@@H]1O ZINC001218775587 844734658 /nfs/dbraw/zinc/73/46/58/844734658.db2.gz DATJIVSRGAVQQB-NHCYSSNCSA-N 2 0 356.858 -0.387 20 0 FBADRP CC(C)[C@H]([NH3+])C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@@H]1O ZINC001218775589 844734837 /nfs/dbraw/zinc/73/48/37/844734837.db2.gz DATJIVSRGAVQQB-SCVCMEIPSA-N 2 0 356.858 -0.387 20 0 FBADRP CC(C)[C@H]([NH3+])C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@H]1O ZINC001218775591 844734459 /nfs/dbraw/zinc/73/44/59/844734459.db2.gz DATJIVSRGAVQQB-UMNHJUIQSA-N 2 0 356.858 -0.387 20 0 FBADRP C[NH2+]CCCC(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@H]1O ZINC001218775592 844734965 /nfs/dbraw/zinc/73/49/65/844734965.db2.gz DBCHLANLEKXNDW-GHMZBOCLSA-N 2 0 356.858 -0.370 20 0 FBADRP C[NH2+]CCCC(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@@H]1O ZINC001218775596 844734451 /nfs/dbraw/zinc/73/44/51/844734451.db2.gz DBCHLANLEKXNDW-MNOVXSKESA-N 2 0 356.858 -0.370 20 0 FBADRP C[NH2+]CCCC(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@@H]1O ZINC001218775599 844734771 /nfs/dbraw/zinc/73/47/71/844734771.db2.gz DBCHLANLEKXNDW-QWRGUYRKSA-N 2 0 356.858 -0.370 20 0 FBADRP C[NH2+]CCCC(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@H]1O ZINC001218775601 844734824 /nfs/dbraw/zinc/73/48/24/844734824.db2.gz DBCHLANLEKXNDW-WDEREUQCSA-N 2 0 356.858 -0.370 20 0 FBADRP CC(C)(C[NH3+])C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@H]1O ZINC001218775804 844734815 /nfs/dbraw/zinc/73/48/15/844734815.db2.gz DRWPODJHIMLSTP-NXEZZACHSA-N 2 0 356.858 -0.385 20 0 FBADRP CC(C)(C[NH3+])C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@@H]1O ZINC001218775813 844734704 /nfs/dbraw/zinc/73/47/04/844734704.db2.gz DRWPODJHIMLSTP-UWVGGRQHSA-N 2 0 356.858 -0.385 20 0 FBADRP CC(C)(C[NH3+])C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@H]1O ZINC001218775815 844734902 /nfs/dbraw/zinc/73/49/02/844734902.db2.gz DRWPODJHIMLSTP-VHSXEESVSA-N 2 0 356.858 -0.385 20 0 FBADRP CC(C)(C[NH3+])C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@@H]1O ZINC001218775817 844734789 /nfs/dbraw/zinc/73/47/89/844734789.db2.gz DRWPODJHIMLSTP-ZJUUUORDSA-N 2 0 356.858 -0.385 20 0 FBADRP CC(C)[C@H](C[NH3+])C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@H]1O ZINC001218775988 844734893 /nfs/dbraw/zinc/73/48/93/844734893.db2.gz JUJMKYYLYMJDBY-GRYCIOLGSA-N 2 0 370.885 -0.139 20 0 FBADRP CC(C)[C@H](C[NH3+])C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@H]1O ZINC001218775989 844734725 /nfs/dbraw/zinc/73/47/25/844734725.db2.gz JUJMKYYLYMJDBY-SDDRHHMPSA-N 2 0 370.885 -0.139 20 0 FBADRP CC(C)[C@H](C[NH3+])C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@@H]1O ZINC001218775990 844734684 /nfs/dbraw/zinc/73/46/84/844734684.db2.gz JUJMKYYLYMJDBY-SRVKXCTJSA-N 2 0 370.885 -0.139 20 0 FBADRP CC(C)[C@H](C[NH3+])C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@@H]1O ZINC001218775991 844734713 /nfs/dbraw/zinc/73/47/13/844734713.db2.gz JUJMKYYLYMJDBY-WOPDTQHZSA-N 2 0 370.885 -0.139 20 0 FBADRP Nc1ncn(C(=O)CCCC[NH3+])c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218777352 844735767 /nfs/dbraw/zinc/73/57/67/844735767.db2.gz PHLNDKOLOKGQQU-GHMZBOCLSA-N 2 0 356.858 -0.241 20 0 FBADRP Nc1ncn(C(=O)CCCC[NH3+])c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218777353 844735773 /nfs/dbraw/zinc/73/57/73/844735773.db2.gz PHLNDKOLOKGQQU-MNOVXSKESA-N 2 0 356.858 -0.241 20 0 FBADRP Nc1ncn(C(=O)CCCC[NH3+])c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218777354 844735736 /nfs/dbraw/zinc/73/57/36/844735736.db2.gz PHLNDKOLOKGQQU-QWRGUYRKSA-N 2 0 356.858 -0.241 20 0 FBADRP Nc1ncn(C(=O)CCCC[NH3+])c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218777355 844735700 /nfs/dbraw/zinc/73/57/00/844735700.db2.gz PHLNDKOLOKGQQU-WDEREUQCSA-N 2 0 356.858 -0.241 20 0 FBADRP Nc1ncn(C(=O)C2([NH3+])CC(F)C2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218777649 844735662 /nfs/dbraw/zinc/73/56/62/844735662.db2.gz FTPVMPCNQHKYQR-DZIUIEAZSA-N 2 0 372.832 -0.541 20 0 FBADRP Nc1ncn(C(=O)C2([NH3+])CC(F)C2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218777655 844735890 /nfs/dbraw/zinc/73/58/90/844735890.db2.gz FTPVMPCNQHKYQR-HFXIDOFESA-N 2 0 372.832 -0.541 20 0 FBADRP Nc1ncn(C(=O)C2([NH3+])CC(F)C2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218777659 844735832 /nfs/dbraw/zinc/73/58/32/844735832.db2.gz FTPVMPCNQHKYQR-JOFVHKCDSA-N 2 0 372.832 -0.541 20 0 FBADRP Nc1ncn(C(=O)C2([NH3+])CC(F)C2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218777663 844735907 /nfs/dbraw/zinc/73/59/07/844735907.db2.gz FTPVMPCNQHKYQR-RAWPJBQPSA-N 2 0 372.832 -0.541 20 0 FBADRP Nc1ncn(C(=O)C[C@H]([NH3+])C2CC2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218777865 844735385 /nfs/dbraw/zinc/73/53/85/844735385.db2.gz QTTOCRBGEGIACU-GRYCIOLGSA-N 2 0 368.869 -0.243 20 0 FBADRP Nc1ncn(C(=O)C[C@H]([NH3+])C2CC2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218777867 844735634 /nfs/dbraw/zinc/73/56/34/844735634.db2.gz QTTOCRBGEGIACU-SDDRHHMPSA-N 2 0 368.869 -0.243 20 0 FBADRP Nc1ncn(C(=O)C[C@H]([NH3+])C2CC2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218777869 844735803 /nfs/dbraw/zinc/73/58/03/844735803.db2.gz QTTOCRBGEGIACU-SRVKXCTJSA-N 2 0 368.869 -0.243 20 0 FBADRP Nc1ncn(C(=O)C[C@H]([NH3+])C2CC2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218777871 844735972 /nfs/dbraw/zinc/73/59/72/844735972.db2.gz QTTOCRBGEGIACU-WOPDTQHZSA-N 2 0 368.869 -0.243 20 0 FBADRP Nc1ncn(C(=O)[C@@H]2CCCC[NH2+]2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218778137 844735930 /nfs/dbraw/zinc/73/59/30/844735930.db2.gz KFFIFRKYGUTMIV-GRYCIOLGSA-N 2 0 368.869 -0.228 20 0 FBADRP Nc1ncn(C(=O)[C@@H]2CCCC[NH2+]2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218778138 844735726 /nfs/dbraw/zinc/73/57/26/844735726.db2.gz KFFIFRKYGUTMIV-SDDRHHMPSA-N 2 0 368.869 -0.228 20 0 FBADRP Nc1ncn(C(=O)[C@@H]2CCCC[NH2+]2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218778139 844735902 /nfs/dbraw/zinc/73/59/02/844735902.db2.gz KFFIFRKYGUTMIV-SRVKXCTJSA-N 2 0 368.869 -0.228 20 0 FBADRP Nc1ncn(C(=O)[C@@H]2CCCC[NH2+]2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218778140 844735886 /nfs/dbraw/zinc/73/58/86/844735886.db2.gz KFFIFRKYGUTMIV-WOPDTQHZSA-N 2 0 368.869 -0.228 20 0 FBADRP CCC[C@H]([NH3+])C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@@H]1O ZINC001218778147 844735846 /nfs/dbraw/zinc/73/58/46/844735846.db2.gz KGZMZIMCGZUGBO-DCAQKATOSA-N 2 0 356.858 -0.243 20 0 FBADRP CCC[C@H]([NH3+])C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@H]1O ZINC001218778148 844735500 /nfs/dbraw/zinc/73/55/00/844735500.db2.gz KGZMZIMCGZUGBO-GARJFASQSA-N 2 0 356.858 -0.243 20 0 FBADRP CCC[C@H]([NH3+])C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@H]1O ZINC001218778149 844735949 /nfs/dbraw/zinc/73/59/49/844735949.db2.gz KGZMZIMCGZUGBO-OUAUKWLOSA-N 2 0 356.858 -0.243 20 0 FBADRP CCC[C@H]([NH3+])C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@@H]1O ZINC001218778150 844735402 /nfs/dbraw/zinc/73/54/02/844735402.db2.gz KGZMZIMCGZUGBO-VWYCJHECSA-N 2 0 356.858 -0.243 20 0 FBADRP Nc1ncn(C(=O)C2CC(C[NH3+])C2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218779128 844735934 /nfs/dbraw/zinc/73/59/34/844735934.db2.gz KGFUWOUVSFTLCI-ADPBJBESSA-N 2 0 368.869 -0.385 20 0 FBADRP Nc1ncn(C(=O)C2CC(C[NH3+])C2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218779132 844735515 /nfs/dbraw/zinc/73/55/15/844735515.db2.gz KGFUWOUVSFTLCI-POSLAHMBSA-N 2 0 368.869 -0.385 20 0 FBADRP Nc1ncn(C(=O)C2CC(C[NH3+])C2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218779134 844735796 /nfs/dbraw/zinc/73/57/96/844735796.db2.gz KGFUWOUVSFTLCI-RSJDFQLWSA-N 2 0 368.869 -0.385 20 0 FBADRP Nc1ncn(C(=O)C2CC(C[NH3+])C2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218779136 844735678 /nfs/dbraw/zinc/73/56/78/844735678.db2.gz KGFUWOUVSFTLCI-RUJICJSRSA-N 2 0 368.869 -0.385 20 0 FBADRP Nc1ncn(C(=O)[C@@H]2CCC[C@H]2[NH3+])c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218779203 844735526 /nfs/dbraw/zinc/73/55/26/844735526.db2.gz VXGPUMBTWRBCAI-DDHJBXDOSA-N 2 0 368.869 -0.243 20 0 FBADRP Nc1ncn(C(=O)[C@@H]2CCC[C@H]2[NH3+])c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218779208 844735787 /nfs/dbraw/zinc/73/57/87/844735787.db2.gz VXGPUMBTWRBCAI-IRCOFANPSA-N 2 0 368.869 -0.243 20 0 FBADRP Nc1ncn(C(=O)[C@@H]2CCC[C@H]2[NH3+])c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218779211 844735578 /nfs/dbraw/zinc/73/55/78/844735578.db2.gz VXGPUMBTWRBCAI-KKOKHZNYSA-N 2 0 368.869 -0.243 20 0 FBADRP Nc1ncn(C(=O)[C@@H]2CCC[C@H]2[NH3+])c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218779215 844735915 /nfs/dbraw/zinc/73/59/15/844735915.db2.gz VXGPUMBTWRBCAI-QCNOEVLYSA-N 2 0 368.869 -0.243 20 0 FBADRP C[NH2+]C(C)(C)C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@H]1O ZINC001218779552 844735421 /nfs/dbraw/zinc/73/54/21/844735421.db2.gz LMQMRZLBLZVOAI-NXEZZACHSA-N 2 0 356.858 -0.372 20 0 FBADRP C[NH2+]C(C)(C)C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@@H]1O ZINC001218779556 844736397 /nfs/dbraw/zinc/73/63/97/844736397.db2.gz LMQMRZLBLZVOAI-UWVGGRQHSA-N 2 0 356.858 -0.372 20 0 FBADRP C[NH2+]C(C)(C)C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@H]1O ZINC001218779560 844736856 /nfs/dbraw/zinc/73/68/56/844736856.db2.gz LMQMRZLBLZVOAI-VHSXEESVSA-N 2 0 356.858 -0.372 20 0 FBADRP C[NH2+]C(C)(C)C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@@H]1O ZINC001218779565 844736676 /nfs/dbraw/zinc/73/66/76/844736676.db2.gz LMQMRZLBLZVOAI-ZJUUUORDSA-N 2 0 356.858 -0.372 20 0 FBADRP Nc1ncn(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218780005 844736775 /nfs/dbraw/zinc/73/67/75/844736775.db2.gz YCVSYXQYZMIEGA-GCHJQGSQSA-N 2 0 366.853 -0.905 20 0 FBADRP Nc1ncn(C(=O)[C@@H]2[C@@H]3C[NH2+]C[C@@H]32)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218780006 844736726 /nfs/dbraw/zinc/73/67/26/844736726.db2.gz YCVSYXQYZMIEGA-HGCLJGPKSA-N 2 0 366.853 -0.905 20 0 FBADRP Nc1ncn(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218780007 844736482 /nfs/dbraw/zinc/73/64/82/844736482.db2.gz YCVSYXQYZMIEGA-HHHUOAJASA-N 2 0 366.853 -0.905 20 0 FBADRP Nc1ncn(C(=O)[C@@H]2[C@@H]3C[NH2+]C[C@@H]32)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218780008 844736665 /nfs/dbraw/zinc/73/66/65/844736665.db2.gz YCVSYXQYZMIEGA-LDMBFOFVSA-N 2 0 366.853 -0.905 20 0 FBADRP Nc1ncn(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218780009 844736739 /nfs/dbraw/zinc/73/67/39/844736739.db2.gz YCVSYXQYZMIEGA-PREPNJAASA-N 2 0 366.853 -0.905 20 0 FBADRP Nc1ncn(C(=O)[C@@H]2[C@@H]3C[NH2+]C[C@@H]32)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218780010 844736681 /nfs/dbraw/zinc/73/66/81/844736681.db2.gz YCVSYXQYZMIEGA-RMPHRYRLSA-N 2 0 366.853 -0.905 20 0 FBADRP Nc1ncn(C(=O)[C@@H]2[C@@H]3C[NH2+]C[C@@H]32)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218780011 844736863 /nfs/dbraw/zinc/73/68/63/844736863.db2.gz YCVSYXQYZMIEGA-SVNGYHJRSA-N 2 0 366.853 -0.905 20 0 FBADRP Nc1ncn(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218780012 844736868 /nfs/dbraw/zinc/73/68/68/844736868.db2.gz YCVSYXQYZMIEGA-ZIQFBCGOSA-N 2 0 366.853 -0.905 20 0 FBADRP C[C@]1(C(=O)n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@H]2O)CCC[NH2+]1 ZINC001218780037 844736652 /nfs/dbraw/zinc/73/66/52/844736652.db2.gz YQMJAYPYUDWASK-GLKRBJQHSA-N 2 0 368.869 -0.228 20 0 FBADRP C[C@]1(C(=O)n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@H]2O)CCC[NH2+]1 ZINC001218780038 844736907 /nfs/dbraw/zinc/73/69/07/844736907.db2.gz YQMJAYPYUDWASK-LYOVBCGYSA-N 2 0 368.869 -0.228 20 0 FBADRP C[C@]1(C(=O)n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@@H]2O)CCC[NH2+]1 ZINC001218780039 844736469 /nfs/dbraw/zinc/73/64/69/844736469.db2.gz YQMJAYPYUDWASK-OHUAYANFSA-N 2 0 368.869 -0.228 20 0 FBADRP C[C@]1(C(=O)n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@@H]2O)CCC[NH2+]1 ZINC001218780040 844736757 /nfs/dbraw/zinc/73/67/57/844736757.db2.gz YQMJAYPYUDWASK-XMZIXOGTSA-N 2 0 368.869 -0.228 20 0 FBADRP Nc1ncn(C(=O)[C@H]2CC[C@@H]2[NH3+])c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218780046 844736879 /nfs/dbraw/zinc/73/68/79/844736879.db2.gz YTZYPVDDYWGCBM-NAKRPEOUSA-N 2 0 354.842 -0.633 20 0 FBADRP Nc1ncn(C(=O)[C@H]2CC[C@@H]2[NH3+])c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218780050 844736704 /nfs/dbraw/zinc/73/67/04/844736704.db2.gz YTZYPVDDYWGCBM-RCWTZXSCSA-N 2 0 354.842 -0.633 20 0 FBADRP Nc1ncn(C(=O)[C@H]2CC[C@@H]2[NH3+])c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218780052 844736847 /nfs/dbraw/zinc/73/68/47/844736847.db2.gz YTZYPVDDYWGCBM-VPOLOUISSA-N 2 0 354.842 -0.633 20 0 FBADRP Nc1ncn(C(=O)[C@H]2CC[C@@H]2[NH3+])c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218780054 844736713 /nfs/dbraw/zinc/73/67/13/844736713.db2.gz YTZYPVDDYWGCBM-XWLWVQCSSA-N 2 0 354.842 -0.633 20 0 FBADRP Nc1ncn(C(=O)C23CC(C2)C[NH2+]3)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218780480 844736496 /nfs/dbraw/zinc/73/64/96/844736496.db2.gz ZNAIISCPFBYMHJ-BRIPAJLNSA-N 2 0 366.853 -0.618 20 0 FBADRP Nc1ncn(C(=O)C23CC(C2)C[NH2+]3)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218780481 844736827 /nfs/dbraw/zinc/73/68/27/844736827.db2.gz ZNAIISCPFBYMHJ-OUBLUOKUSA-N 2 0 366.853 -0.618 20 0 FBADRP Nc1ncn(C(=O)C23CC(C2)C[NH2+]3)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218780482 844736891 /nfs/dbraw/zinc/73/68/91/844736891.db2.gz ZNAIISCPFBYMHJ-UDPKNTEWSA-N 2 0 366.853 -0.618 20 0 FBADRP Nc1ncn(C(=O)C23CC(C2)C[NH2+]3)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218780483 844736852 /nfs/dbraw/zinc/73/68/52/844736852.db2.gz ZNAIISCPFBYMHJ-WQNGMOOTSA-N 2 0 366.853 -0.618 20 0 FBADRP Nc1ncn(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218780660 844736804 /nfs/dbraw/zinc/73/68/04/844736804.db2.gz PMGQHFWJFFKQLV-JCIQBVFBSA-N 2 0 366.853 -0.620 20 0 FBADRP Nc1ncn(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218780661 844736981 /nfs/dbraw/zinc/73/69/81/844736981.db2.gz PMGQHFWJFFKQLV-KNZXXDILSA-N 2 0 366.853 -0.620 20 0 FBADRP Nc1ncn(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218780662 844736766 /nfs/dbraw/zinc/73/67/66/844736766.db2.gz PMGQHFWJFFKQLV-MTVMDMGHSA-N 2 0 366.853 -0.620 20 0 FBADRP Nc1ncn(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218780663 844736835 /nfs/dbraw/zinc/73/68/35/844736835.db2.gz PMGQHFWJFFKQLV-PZWNZHSQSA-N 2 0 366.853 -0.620 20 0 FBADRP C[C@]1(C(=O)n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@@H]2O)CC[NH2+]C1 ZINC001218781585 844736997 /nfs/dbraw/zinc/73/69/97/844736997.db2.gz QIJGIJGMDMVPAX-GDLVEWKHSA-N 2 0 368.869 -0.370 20 0 FBADRP C[C@]1(C(=O)n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@@H]2O)CC[NH2+]C1 ZINC001218781586 844736884 /nfs/dbraw/zinc/73/68/84/844736884.db2.gz QIJGIJGMDMVPAX-MMPTUQATSA-N 2 0 368.869 -0.370 20 0 FBADRP C[C@]1(C(=O)n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@H]2O)CC[NH2+]C1 ZINC001218781588 844736954 /nfs/dbraw/zinc/73/69/54/844736954.db2.gz QIJGIJGMDMVPAX-USBNGQNGSA-N 2 0 368.869 -0.370 20 0 FBADRP C[C@]1(C(=O)n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@H]2O)CC[NH2+]C1 ZINC001218781590 844736760 /nfs/dbraw/zinc/73/67/60/844736760.db2.gz QIJGIJGMDMVPAX-UVWXRNBGSA-N 2 0 368.869 -0.370 20 0 FBADRP CC(C)[NH2+]CC(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@H]1O ZINC001218782279 844736646 /nfs/dbraw/zinc/73/66/46/844736646.db2.gz URXCRZKZLDOLCU-GHMZBOCLSA-N 2 0 356.858 -0.372 20 0 FBADRP CC(C)[NH2+]CC(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@@H]1O ZINC001218782280 844736659 /nfs/dbraw/zinc/73/66/59/844736659.db2.gz URXCRZKZLDOLCU-MNOVXSKESA-N 2 0 356.858 -0.372 20 0 FBADRP CC(C)[NH2+]CC(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@@H]1O ZINC001218782281 844736779 /nfs/dbraw/zinc/73/67/79/844736779.db2.gz URXCRZKZLDOLCU-QWRGUYRKSA-N 2 0 356.858 -0.372 20 0 FBADRP CC(C)[NH2+]CC(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@H]1O ZINC001218782284 844736785 /nfs/dbraw/zinc/73/67/85/844736785.db2.gz URXCRZKZLDOLCU-WDEREUQCSA-N 2 0 356.858 -0.372 20 0 FBADRP Nc1ncn(C(=O)[C@@]23C[C@@H]2CC[NH2+]3)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218785672 844736859 /nfs/dbraw/zinc/73/68/59/844736859.db2.gz UGAQFZQJERNQDI-KALYDTEFSA-N 2 0 366.853 -0.618 20 0 FBADRP Nc1ncn(C(=O)[C@@]23C[C@@H]2CC[NH2+]3)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218785673 844736918 /nfs/dbraw/zinc/73/69/18/844736918.db2.gz UGAQFZQJERNQDI-ZAQLIGFBSA-N 2 0 366.853 -0.618 20 0 FBADRP Nc1ncn(C(=O)[C@@]23C[C@@H]2CC[NH2+]3)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218785674 844736770 /nfs/dbraw/zinc/73/67/70/844736770.db2.gz UGAQFZQJERNQDI-ZGNZKYAMSA-N 2 0 366.853 -0.618 20 0 FBADRP Nc1ncn(C(=O)[C@@]23C[C@@H]2CC[NH2+]3)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218785675 844736717 /nfs/dbraw/zinc/73/67/17/844736717.db2.gz UGAQFZQJERNQDI-ZSYFIWHWSA-N 2 0 366.853 -0.618 20 0 FBADRP COC(=O)c1ccc(OC)nc1NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218790476 844736895 /nfs/dbraw/zinc/73/68/95/844736895.db2.gz KWJUFPQWQGIHBK-GFCCVEGCSA-N 2 0 351.407 -0.434 20 0 FBADRP COC(=O)c1ccc(OC)nc1NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218790477 844737965 /nfs/dbraw/zinc/73/79/65/844737965.db2.gz KWJUFPQWQGIHBK-LBPRGKRZSA-N 2 0 351.407 -0.434 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCO[C@@H]2C[N@@H+]([C@H]3CCCN(C)C3=O)C[C@@H]21 ZINC001218813840 844738737 /nfs/dbraw/zinc/73/87/37/844738737.db2.gz GICYPEDBGCMVCJ-HRCADAONSA-N 2 0 352.479 -0.139 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCO[C@@H]2C[N@@H+]([C@@H]3CCCN(C)C3=O)C[C@@H]21 ZINC001218813841 844738498 /nfs/dbraw/zinc/73/84/98/844738498.db2.gz GICYPEDBGCMVCJ-OWCLPIDISA-N 2 0 352.479 -0.139 20 0 FBADRP CCN1CC[C@H]([N@@H+]2C[C@H]3OCCN(C(=O)C[NH+](CC)CC)[C@H]3C2)C1=O ZINC001218819416 844740108 /nfs/dbraw/zinc/74/01/08/844740108.db2.gz CNDZNWLYUNTEGV-HRCADAONSA-N 2 0 352.479 -0.139 20 0 FBADRP CCN1CC[C@@H]([N@@H+]2C[C@H]3OCCN(C(=O)C[NH+](CC)CC)[C@H]3C2)C1=O ZINC001218819417 844739833 /nfs/dbraw/zinc/73/98/33/844739833.db2.gz CNDZNWLYUNTEGV-OWCLPIDISA-N 2 0 352.479 -0.139 20 0 FBADRP COC(=O)Cc1ccc(O)c(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)c1 ZINC001218869437 844742500 /nfs/dbraw/zinc/74/25/00/844742500.db2.gz NCMHNGXIHOBSTG-CYBMUJFWSA-N 2 0 350.419 -0.203 20 0 FBADRP COC(=O)Cc1ccc(O)c(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)c1 ZINC001218869438 844742744 /nfs/dbraw/zinc/74/27/44/844742744.db2.gz NCMHNGXIHOBSTG-ZDUSSCGKSA-N 2 0 350.419 -0.203 20 0 FBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)Nc1ccc(N2CC[NH+](CCO)CC2)cc1 ZINC001218872843 844742327 /nfs/dbraw/zinc/74/23/27/844742327.db2.gz BVPCIJIGDBILNQ-INIZCTEOSA-N 3 0 367.519 -0.241 20 0 FBADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)Nc1ccc(N2CC[NH+](CCO)CC2)cc1 ZINC001218873104 844742630 /nfs/dbraw/zinc/74/26/30/844742630.db2.gz FMBPUMHPYDQYPH-IVCQMTBJSA-N 2 0 368.503 -0.165 20 0 FBADRP C[S@](=O)CC[C@H]([NH3+])C(=O)Nc1ccc(N2CC[NH+](CCO)CC2)cc1 ZINC001218873105 844742759 /nfs/dbraw/zinc/74/27/59/844742759.db2.gz FMBPUMHPYDQYPH-LMKMVOKYSA-N 2 0 368.503 -0.165 20 0 FBADRP [NH3+]CCOCCOCC(=O)Nc1ccccc1C(=O)N1CC[NH2+]CC1 ZINC001218879890 844742585 /nfs/dbraw/zinc/74/25/85/844742585.db2.gz KSHULSVCTNUJQG-UHFFFAOYSA-N 2 0 350.419 -0.338 20 0 FBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)Nc1ccccc1C(=O)N1CC[NH2+]CC1 ZINC001218882028 844743999 /nfs/dbraw/zinc/74/39/99/844743999.db2.gz KXSWJTSEFWIXBD-ZDUSSCGKSA-N 3 0 351.476 -0.310 20 0 FBADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)Nc1ccccc1C(=O)N1CC[NH2+]CC1 ZINC001218882651 844743393 /nfs/dbraw/zinc/74/33/93/844743393.db2.gz YLSXFATVMOYXSS-RKNYENMMSA-N 2 0 352.460 -0.234 20 0 FBADRP C[S@](=O)CC[C@H]([NH3+])C(=O)Nc1ccccc1C(=O)N1CC[NH2+]CC1 ZINC001218882652 844743436 /nfs/dbraw/zinc/74/34/36/844743436.db2.gz YLSXFATVMOYXSS-RZFZLAGVSA-N 2 0 352.460 -0.234 20 0 FBADRP CNS(=O)(=O)CCc1ccc(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)cc1 ZINC001218890397 844745305 /nfs/dbraw/zinc/74/53/05/844745305.db2.gz IAAYDHYKRPDUEV-AWEZNQCLSA-N 2 0 352.460 -0.474 20 0 FBADRP CNS(=O)(=O)CCc1ccc(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)cc1 ZINC001218890400 844745167 /nfs/dbraw/zinc/74/51/67/844745167.db2.gz IAAYDHYKRPDUEV-CQSZACIVSA-N 2 0 352.460 -0.474 20 0 FBADRP CNS(=O)(=O)CCc1ccc(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)cc1 ZINC001218891487 844744865 /nfs/dbraw/zinc/74/48/65/844744865.db2.gz OWVIJSCUSCPPSG-RHSMWYFYSA-N 2 0 366.487 -0.084 20 0 FBADRP CNS(=O)(=O)CCc1ccc(NC(=O)[C@@H]([NH3+])CSCC[NH3+])cc1 ZINC001218892904 844745036 /nfs/dbraw/zinc/74/50/36/844745036.db2.gz VMOZBMUCXWHRKN-ZDUSSCGKSA-N 2 0 360.505 -0.264 20 0 FBADRP CN(C)S(=O)(=O)c1ccccc1NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218893889 844744618 /nfs/dbraw/zinc/74/46/18/844744618.db2.gz HKROKEXAAAQHFS-CYBMUJFWSA-N 2 0 369.491 -0.374 20 0 FBADRP CN(C)S(=O)(=O)c1ccccc1NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218893890 844744656 /nfs/dbraw/zinc/74/46/56/844744656.db2.gz HKROKEXAAAQHFS-ZDUSSCGKSA-N 2 0 369.491 -0.374 20 0 FBADRP CNS(=O)(=O)c1ccc(O)c(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)c1 ZINC001218901822 844744729 /nfs/dbraw/zinc/74/47/29/844744729.db2.gz PGDMVYKBDBUJQT-MEBBXXQBSA-N 2 0 354.432 -0.562 20 0 FBADRP Nc1ccc(S(N)(=O)=O)cc1NC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001218914371 844746189 /nfs/dbraw/zinc/74/61/89/844746189.db2.gz AYYFIXOCGRXWLZ-GFCCVEGCSA-N 2 0 353.448 -0.271 20 0 FBADRP Nc1ccc(S(N)(=O)=O)cc1NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001218914382 844746039 /nfs/dbraw/zinc/74/60/39/844746039.db2.gz AYYFIXOCGRXWLZ-LBPRGKRZSA-N 2 0 353.448 -0.271 20 0 FBADRP Nc1ccc(COCCO)c(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)c1 ZINC001218917340 844746715 /nfs/dbraw/zinc/74/67/15/844746715.db2.gz MHTLOVSCXGFZMW-HNNXBMFYSA-N 2 0 351.451 -0.533 20 0 FBADRP Nc1ccc(COCCO)c(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)c1 ZINC001218917341 844745646 /nfs/dbraw/zinc/74/56/46/844745646.db2.gz MHTLOVSCXGFZMW-OAHLLOKOSA-N 2 0 351.451 -0.533 20 0 FBADRP CC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+]([C@H]3CCCN(C)C3=O)C[C@@H]21 ZINC001218918601 844746205 /nfs/dbraw/zinc/74/62/05/844746205.db2.gz HLQJGPCBKDFWGG-HRCADAONSA-N 2 0 352.479 -0.139 20 0 FBADRP CC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+]([C@@H]3CCCN(C)C3=O)C[C@@H]21 ZINC001218918602 844746693 /nfs/dbraw/zinc/74/66/93/844746693.db2.gz HLQJGPCBKDFWGG-OWCLPIDISA-N 2 0 352.479 -0.139 20 0 FBADRP CCN1CC[C@H]([N@@H+]2C[C@H]3OCCN(C(=O)CC[NH+](C)CC)[C@H]3C2)C1=O ZINC001218919569 844747401 /nfs/dbraw/zinc/74/74/01/844747401.db2.gz TTXZHHIGWYDLGF-HRCADAONSA-N 2 0 352.479 -0.139 20 0 FBADRP CCN1CC[C@@H]([N@@H+]2C[C@H]3OCCN(C(=O)CC[NH+](C)CC)[C@H]3C2)C1=O ZINC001218919570 844747033 /nfs/dbraw/zinc/74/70/33/844747033.db2.gz TTXZHHIGWYDLGF-OWCLPIDISA-N 2 0 352.479 -0.139 20 0 FBADRP CC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+]([C@@H]3CCC(=O)NC3=O)C[C@@H]21 ZINC001218919571 844747969 /nfs/dbraw/zinc/74/79/69/844747969.db2.gz TWIHVFOVFACCSQ-HZSPNIEDSA-N 2 0 352.435 -0.955 20 0 FBADRP CC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+]([C@H]3CCC(=O)NC3=O)C[C@@H]21 ZINC001218919572 844747093 /nfs/dbraw/zinc/74/70/93/844747093.db2.gz TWIHVFOVFACCSQ-MELADBBJSA-N 2 0 352.435 -0.955 20 0 FBADRP C[NH+](C)CCOCC(=O)N1CCO[C@@H]2C[N@H+](CC3CCOCC3)C[C@@H]21 ZINC001218965461 844750861 /nfs/dbraw/zinc/75/08/61/844750861.db2.gz LJPOLXWPETWHSS-DLBZAZTESA-N 2 0 355.479 -0.097 20 0 FBADRP C[NH+](C)CCOCC(=O)N1CCO[C@@H]2C[N@H+](CC[C@@H]3CCOC3)C[C@@H]21 ZINC001218970599 844752343 /nfs/dbraw/zinc/75/23/43/844752343.db2.gz LPWUPNWYXKRQHB-IXDOHACOSA-N 2 0 355.479 -0.097 20 0 FBADRP C[NH+](C)CCOCC(=O)N1CCO[C@@H]2C[N@H+](CC[C@H]3CCOC3)C[C@@H]21 ZINC001218970600 844752192 /nfs/dbraw/zinc/75/21/92/844752192.db2.gz LPWUPNWYXKRQHB-YESZJQIVSA-N 2 0 355.479 -0.097 20 0 FBADRP C[NH+](C)CCOCC(=O)N1CCO[C@@H]2C[N@H+](C[C@H]3CCCOC3)C[C@@H]21 ZINC001218971173 844752425 /nfs/dbraw/zinc/75/24/25/844752425.db2.gz STHNAADUGCWYIB-IXDOHACOSA-N 2 0 355.479 -0.097 20 0 FBADRP C[NH+](C)CCOCC(=O)N1CCO[C@@H]2C[N@H+](C[C@@H]3CCCOC3)C[C@@H]21 ZINC001218971175 844752002 /nfs/dbraw/zinc/75/20/02/844752002.db2.gz STHNAADUGCWYIB-YESZJQIVSA-N 2 0 355.479 -0.097 20 0 FBADRP C[NH+](C)CCCCC(=O)N1CCO[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@@H]21 ZINC001219001140 844753812 /nfs/dbraw/zinc/75/38/12/844753812.db2.gz PRLRMXMHYBTRLM-HRCADAONSA-N 2 0 352.479 -0.092 20 0 FBADRP C[NH+](C)CCCCC(=O)N1CCO[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@@H]21 ZINC001219001141 844753477 /nfs/dbraw/zinc/75/34/77/844753477.db2.gz PRLRMXMHYBTRLM-OWCLPIDISA-N 2 0 352.479 -0.092 20 0 FBADRP CCC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+]([C@H]3CCCNC3=O)C[C@@H]21 ZINC001219002855 844755157 /nfs/dbraw/zinc/75/51/57/844755157.db2.gz GUAWFTZODARZNE-HRCADAONSA-N 2 0 352.479 -0.092 20 0 FBADRP CCC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+]([C@@H]3CCCNC3=O)C[C@@H]21 ZINC001219002856 844754952 /nfs/dbraw/zinc/75/49/52/844754952.db2.gz GUAWFTZODARZNE-OWCLPIDISA-N 2 0 352.479 -0.092 20 0 FBADRP CN1CC[C@H]([N@@H+]2C[C@H]3OCCN(C(=O)CCCC[NH+](C)C)[C@H]3C2)C1=O ZINC001219002932 844755137 /nfs/dbraw/zinc/75/51/37/844755137.db2.gz JYNMTWVSTPTODN-HRCADAONSA-N 2 0 352.479 -0.139 20 0 FBADRP CN1CC[C@@H]([N@@H+]2C[C@H]3OCCN(C(=O)CCCC[NH+](C)C)[C@H]3C2)C1=O ZINC001219002933 844754411 /nfs/dbraw/zinc/75/44/11/844754411.db2.gz JYNMTWVSTPTODN-OWCLPIDISA-N 2 0 352.479 -0.139 20 0 FBADRP CCC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+]([C@H]3CCN(C)C3=O)C[C@@H]21 ZINC001219004782 844754787 /nfs/dbraw/zinc/75/47/87/844754787.db2.gz UIQQYWWZDWFPSP-HRCADAONSA-N 2 0 352.479 -0.139 20 0 FBADRP CCC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+]([C@@H]3CCN(C)C3=O)C[C@@H]21 ZINC001219004783 844754985 /nfs/dbraw/zinc/75/49/85/844754985.db2.gz UIQQYWWZDWFPSP-OWCLPIDISA-N 2 0 352.479 -0.139 20 0 FBADRP CCC[N@H+](C)CC(=O)N1CCO[C@@H]2C[NH+]([C@H]3CCN(CC)C3=O)C[C@@H]21 ZINC001219006238 844755085 /nfs/dbraw/zinc/75/50/85/844755085.db2.gz DBTYDCQNAYRVJE-HRCADAONSA-N 2 0 352.479 -0.139 20 0 FBADRP CCC[N@H+](C)CC(=O)N1CCO[C@@H]2C[NH+]([C@@H]3CCN(CC)C3=O)C[C@@H]21 ZINC001219006239 844754905 /nfs/dbraw/zinc/75/49/05/844754905.db2.gz DBTYDCQNAYRVJE-OWCLPIDISA-N 2 0 352.479 -0.139 20 0 FBADRP CCC[N@H+](C)CC(=O)N1CCO[C@@H]2C[NH+]([C@H]3CCCN(C)C3=O)C[C@@H]21 ZINC001219006816 844754842 /nfs/dbraw/zinc/75/48/42/844754842.db2.gz ZKRIGDHHDFPJMV-HRCADAONSA-N 2 0 352.479 -0.139 20 0 FBADRP CCC[N@H+](C)CC(=O)N1CCO[C@@H]2C[NH+]([C@@H]3CCCN(C)C3=O)C[C@@H]21 ZINC001219006817 844754202 /nfs/dbraw/zinc/75/42/02/844754202.db2.gz ZKRIGDHHDFPJMV-OWCLPIDISA-N 2 0 352.479 -0.139 20 0 FBADRP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)[C@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001219027987 844760161 /nfs/dbraw/zinc/76/01/61/844760161.db2.gz KCENRKHPTXTAQZ-CYBMUJFWSA-N 2 0 351.428 -0.116 20 0 FBADRP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001219027988 844759583 /nfs/dbraw/zinc/75/95/83/844759583.db2.gz KCENRKHPTXTAQZ-ZDUSSCGKSA-N 2 0 351.428 -0.116 20 0 FBADRP COC[C@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+]3CCCCC3)[C@H]2C1 ZINC001219049632 844766742 /nfs/dbraw/zinc/76/67/42/844766742.db2.gz SHCGPJABQGMLDI-IXDOHACOSA-N 2 0 355.479 -0.219 20 0 FBADRP COC[C@@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+]3CCCCC3)[C@H]2C1 ZINC001219049635 844765855 /nfs/dbraw/zinc/76/58/55/844765855.db2.gz SHCGPJABQGMLDI-YESZJQIVSA-N 2 0 355.479 -0.219 20 0 FBADRP COC[C@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)CCC[NH+]3CCCC3)[C@H]2C1 ZINC001219052037 844766116 /nfs/dbraw/zinc/76/61/16/844766116.db2.gz BFFPKVYSWULPTG-IXDOHACOSA-N 2 0 355.479 -0.219 20 0 FBADRP COC[C@@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)CCC[NH+]3CCCC3)[C@H]2C1 ZINC001219052038 844766193 /nfs/dbraw/zinc/76/61/93/844766193.db2.gz BFFPKVYSWULPTG-YESZJQIVSA-N 2 0 355.479 -0.219 20 0 FBADRP CC(C)[N@H+](C)CC(=O)N1CCO[C@@H]2C[NH+]([C@H]3CCCN(C)C3=O)C[C@@H]21 ZINC001219054988 844768178 /nfs/dbraw/zinc/76/81/78/844768178.db2.gz RDFZJDFZJSTTBB-HRCADAONSA-N 2 0 352.479 -0.141 20 0 FBADRP CC(C)[N@H+](C)CC(=O)N1CCO[C@@H]2C[NH+]([C@@H]3CCCN(C)C3=O)C[C@@H]21 ZINC001219054989 844768245 /nfs/dbraw/zinc/76/82/45/844768245.db2.gz RDFZJDFZJSTTBB-OWCLPIDISA-N 2 0 352.479 -0.141 20 0 FBADRP CCN1CC[C@H]([N@@H+]2C[C@H]3OCCN(C(=O)C[NH+](C)C(C)C)[C@H]3C2)C1=O ZINC001219055043 844768909 /nfs/dbraw/zinc/76/89/09/844768909.db2.gz TYJLRKQEYGDDQA-HRCADAONSA-N 2 0 352.479 -0.141 20 0 FBADRP CCN1CC[C@@H]([N@@H+]2C[C@H]3OCCN(C(=O)C[NH+](C)C(C)C)[C@H]3C2)C1=O ZINC001219055044 844768503 /nfs/dbraw/zinc/76/85/03/844768503.db2.gz TYJLRKQEYGDDQA-OWCLPIDISA-N 2 0 352.479 -0.141 20 0 FBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)Nc1ccc(S(=O)(=O)CCCO)cc1 ZINC001219092113 844776325 /nfs/dbraw/zinc/77/63/25/844776325.db2.gz AOIWHEOCZYPKEQ-ZDUSSCGKSA-N 2 0 361.489 -0.200 20 0 FBADRP O=C(Nc1ccc(S(=O)(=O)CCCO)cc1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219092166 844776211 /nfs/dbraw/zinc/77/62/11/844776211.db2.gz BJRPFFCSMAMJHS-AWEZNQCLSA-N 2 0 353.444 -0.410 20 0 FBADRP O=C(Nc1ccc(S(=O)(=O)CCCO)cc1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219092167 844776096 /nfs/dbraw/zinc/77/60/96/844776096.db2.gz BJRPFFCSMAMJHS-CQSZACIVSA-N 2 0 353.444 -0.410 20 0 FBADRP O=C(Nc1ccc(S(=O)(=O)CCCO)cc1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001219092547 844777034 /nfs/dbraw/zinc/77/70/34/844777034.db2.gz LBCPCRRJCDJEDF-CXAGYDPISA-N 2 0 367.471 -0.020 20 0 FBADRP O=C(Nc1cccc(N2CC[NH2+]CC2)c1)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001219115449 844783617 /nfs/dbraw/zinc/78/36/17/844783617.db2.gz AZOJEIHRCMHTAC-HNNXBMFYSA-N 2 0 364.471 -0.189 20 0 FBADRP O=C(Nc1cccc(N2CC[NH2+]CC2)c1)[C@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001219115453 844783661 /nfs/dbraw/zinc/78/36/61/844783661.db2.gz AZOJEIHRCMHTAC-OAHLLOKOSA-N 2 0 364.471 -0.189 20 0 FBADRP CS(=O)(=O)N(CC[NH3+])CC(=O)Nc1ccc(N2CCC[C@@H]([NH3+])C2)cc1 ZINC001219233215 844811603 /nfs/dbraw/zinc/81/16/03/844811603.db2.gz KLSAVZYYPNJVSS-CYBMUJFWSA-N 2 0 369.491 -0.227 20 0 FBADRP CS(=O)(=O)N(CC[NH3+])CC(=O)Nc1ccc(N2CCC[C@H]([NH3+])C2)cc1 ZINC001219233216 844811749 /nfs/dbraw/zinc/81/17/49/844811749.db2.gz KLSAVZYYPNJVSS-ZDUSSCGKSA-N 2 0 369.491 -0.227 20 0 FBADRP O=C(Nc1cccc2c1[C@@H]1C[NH2+]C[C@@H]1O2)[C@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001219537306 844902508 /nfs/dbraw/zinc/90/25/08/844902508.db2.gz KWTVGAWOCDPZAC-GYSYKLTISA-N 2 0 363.439 -0.150 20 0 FBADRP O=C(Nc1cccc2c1[C@@H]1C[NH2+]C[C@H]1O2)[C@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001219537307 844902618 /nfs/dbraw/zinc/90/26/18/844902618.db2.gz KWTVGAWOCDPZAC-JTNHKYCSSA-N 2 0 363.439 -0.150 20 0 FBADRP O=C(Nc1cccc2c1[C@@H]1C[NH2+]C[C@@H]1O2)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001219537308 844902694 /nfs/dbraw/zinc/90/26/94/844902694.db2.gz KWTVGAWOCDPZAC-SUNKGSAMSA-N 2 0 363.439 -0.150 20 0 FBADRP O=C(Nc1cccc2c1[C@@H]1C[NH2+]C[C@H]1O2)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001219537309 844902473 /nfs/dbraw/zinc/90/24/73/844902473.db2.gz KWTVGAWOCDPZAC-UHIISALHSA-N 2 0 363.439 -0.150 20 0 FBADRP CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)NCC[NH+](C)C ZINC001219554022 844907550 /nfs/dbraw/zinc/90/75/50/844907550.db2.gz SENINIMKNTYBHO-KBPBESRZSA-N 2 0 355.483 -0.937 20 0 FBADRP [NH3+]CCC[NH2+]CC(=O)NCc1cccc(OCCN2CCOCC2)c1 ZINC001219567238 844913257 /nfs/dbraw/zinc/91/32/57/844913257.db2.gz CCBKLGQSTGEXKD-UHFFFAOYSA-N 2 0 350.463 -0.048 20 0 FBADRP [NH3+]CCC[NH2+]CC(=O)N[C@@H](CO)[C@H](O)c1ccc(Br)cc1 ZINC001219579947 844916242 /nfs/dbraw/zinc/91/62/42/844916242.db2.gz HZBHEZGDUOCHCX-GXTWGEPZSA-N 2 0 360.252 -0.102 20 0 FBADRP [NH3+]CCC[NH2+]CC(=O)N[C@@H](CO)[C@@H](O)c1ccc(Br)cc1 ZINC001219579948 844916284 /nfs/dbraw/zinc/91/62/84/844916284.db2.gz HZBHEZGDUOCHCX-JSGCOSHPSA-N 2 0 360.252 -0.102 20 0 FBADRP [NH3+]CCC[NH2+]CC(=O)N[C@H](CO)[C@@H](O)c1ccc(Br)cc1 ZINC001219579949 844916282 /nfs/dbraw/zinc/91/62/82/844916282.db2.gz HZBHEZGDUOCHCX-OCCSQVGLSA-N 2 0 360.252 -0.102 20 0 FBADRP [NH3+]CCC[NH2+]CC(=O)N[C@H](CO)[C@H](O)c1ccc(Br)cc1 ZINC001219579950 844916463 /nfs/dbraw/zinc/91/64/63/844916463.db2.gz HZBHEZGDUOCHCX-TZMCWYRMSA-N 2 0 360.252 -0.102 20 0 FBADRP CS(=O)(=O)N(CC[NH3+])C(=O)[C@]12C[NH2+]C[C@H]1CN(c1ccccc1)C2 ZINC001219595909 844921342 /nfs/dbraw/zinc/92/13/42/844921342.db2.gz VMLYEILOAPTBIJ-BBRMVZONSA-N 2 0 352.460 -0.541 20 0 FBADRP CS(=O)(=O)N(CC[NH3+])C(=O)[C@]12C[NH2+]C[C@@H]1CN(c1ccccc1)C2 ZINC001219595910 844921872 /nfs/dbraw/zinc/92/18/72/844921872.db2.gz VMLYEILOAPTBIJ-CJNGLKHVSA-N 2 0 352.460 -0.541 20 0 FBADRP CS(=O)(=O)N(CC[NH3+])C(=O)[C@@]12C[NH2+]C[C@@H]1CN(c1ccccc1)C2 ZINC001219595911 844921194 /nfs/dbraw/zinc/92/11/94/844921194.db2.gz VMLYEILOAPTBIJ-CZUORRHYSA-N 2 0 352.460 -0.541 20 0 FBADRP CS(=O)(=O)N(CC[NH3+])C(=O)[C@@]12C[NH2+]C[C@H]1CN(c1ccccc1)C2 ZINC001219595912 844921800 /nfs/dbraw/zinc/92/18/00/844921800.db2.gz VMLYEILOAPTBIJ-XJKSGUPXSA-N 2 0 352.460 -0.541 20 0 FBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NC[C@H](O)c1ccco1 ZINC001219603940 844925226 /nfs/dbraw/zinc/92/52/26/844925226.db2.gz HDZURFDLOUWLTA-IHRRRGAJSA-N 2 0 352.435 -0.124 20 0 FBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NC[C@@H](O)c1ccco1 ZINC001219603941 844924940 /nfs/dbraw/zinc/92/49/40/844924940.db2.gz HDZURFDLOUWLTA-MELADBBJSA-N 2 0 352.435 -0.124 20 0 FBADRP O=C(N[C@@]1(C(F)(F)F)CC[NH2+]C1)[C@@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001219608344 844926514 /nfs/dbraw/zinc/92/65/14/844926514.db2.gz VWIGMBHYTYGZBU-HZMBPMFUSA-N 2 0 358.368 -0.060 20 0 FBADRP O=C(N[C@]1(C(F)(F)F)CC[NH2+]C1)[C@@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001219608347 844925889 /nfs/dbraw/zinc/92/58/89/844925889.db2.gz VWIGMBHYTYGZBU-IINYFYTJSA-N 2 0 358.368 -0.060 20 0 FBADRP O=C(N[C@]1(C(F)(F)F)CC[NH2+]C1)[C@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001219608348 844926003 /nfs/dbraw/zinc/92/60/03/844926003.db2.gz VWIGMBHYTYGZBU-QMTHXVAHSA-N 2 0 358.368 -0.060 20 0 FBADRP O=C(N[C@@]1(C(F)(F)F)CC[NH2+]C1)[C@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001219608349 844926149 /nfs/dbraw/zinc/92/61/49/844926149.db2.gz VWIGMBHYTYGZBU-YGRLFVJLSA-N 2 0 358.368 -0.060 20 0 FBADRP O=C(N[C@]1(C(F)(F)F)CC[NH2+]C1)[C@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001219608385 844926256 /nfs/dbraw/zinc/92/62/56/844926256.db2.gz WJCBVVRLWUBUMY-NOZJJQNGSA-N 2 0 359.356 -0.665 20 0 FBADRP O=C(N[C@@]1(C(F)(F)F)CC[NH2+]C1)[C@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001219608387 844926525 /nfs/dbraw/zinc/92/65/25/844926525.db2.gz WJCBVVRLWUBUMY-RNCFNFMXSA-N 2 0 359.356 -0.665 20 0 FBADRP O=C(N[C@]1(C(F)(F)F)CC[NH2+]C1)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001219608389 844926344 /nfs/dbraw/zinc/92/63/44/844926344.db2.gz WJCBVVRLWUBUMY-TVQRCGJNSA-N 2 0 359.356 -0.665 20 0 FBADRP O=C(N[C@@]1(C(F)(F)F)CC[NH2+]C1)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001219608390 844927598 /nfs/dbraw/zinc/92/75/98/844927598.db2.gz WJCBVVRLWUBUMY-ZANVPECISA-N 2 0 359.356 -0.665 20 0 FBADRP C[N@@H+]1C[C@H](C(=O)N[C@]2(C(F)(F)F)CC[NH2+]C2)OC2(CC[NH2+]CC2)C1 ZINC001219609915 844927140 /nfs/dbraw/zinc/92/71/40/844927140.db2.gz HZSLGCGDLAJUPM-BXUZGUMPSA-N 3 0 350.385 -0.150 20 0 FBADRP C[N@@H+]1C[C@@H](C(=O)N[C@@]2(C(F)(F)F)CC[NH2+]C2)OC2(CC[NH2+]CC2)C1 ZINC001219609916 844927256 /nfs/dbraw/zinc/92/72/56/844927256.db2.gz HZSLGCGDLAJUPM-FZMZJTMJSA-N 3 0 350.385 -0.150 20 0 FBADRP C[N@@H+]1C[C@H](C(=O)N[C@@]2(C(F)(F)F)CC[NH2+]C2)OC2(CC[NH2+]CC2)C1 ZINC001219609917 844927235 /nfs/dbraw/zinc/92/72/35/844927235.db2.gz HZSLGCGDLAJUPM-RISCZKNCSA-N 3 0 350.385 -0.150 20 0 FBADRP C[N@@H+]1C[C@@H](C(=O)N[C@]2(C(F)(F)F)CC[NH2+]C2)OC2(CC[NH2+]CC2)C1 ZINC001219609918 844927197 /nfs/dbraw/zinc/92/71/97/844927197.db2.gz HZSLGCGDLAJUPM-SMDDNHRTSA-N 3 0 350.385 -0.150 20 0 FBADRP O=C(N[C@@]1(C(F)(F)F)CC[NH2+]C1)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001219610043 844927424 /nfs/dbraw/zinc/92/74/24/844927424.db2.gz KBITYNNEKKEODQ-GWCFXTLKSA-N 2 0 369.409 -0.189 20 0 FBADRP O=C(N[C@]1(C(F)(F)F)CC[NH2+]C1)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001219610044 844927125 /nfs/dbraw/zinc/92/71/25/844927125.db2.gz KBITYNNEKKEODQ-GXFFZTMASA-N 2 0 369.409 -0.189 20 0 FBADRP O=C(N[C@@]1(C(F)(F)F)CC[NH2+]C1)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001219610045 844926893 /nfs/dbraw/zinc/92/68/93/844926893.db2.gz KBITYNNEKKEODQ-MFKMUULPSA-N 2 0 369.409 -0.189 20 0 FBADRP O=C(N[C@]1(C(F)(F)F)CC[NH2+]C1)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001219610046 844927133 /nfs/dbraw/zinc/92/71/33/844927133.db2.gz KBITYNNEKKEODQ-ZWNOBZJWSA-N 2 0 369.409 -0.189 20 0 FBADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N[C@]2(C(F)(F)F)CC[NH2+]C2)COC1(C)C ZINC001219612756 844928296 /nfs/dbraw/zinc/92/82/96/844928296.db2.gz DKHASDKNSGVKIH-MWODSPESSA-N 2 0 352.357 -0.292 20 0 FBADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N[C@@]2(C(F)(F)F)CC[NH2+]C2)COC1(C)C ZINC001219612757 844928092 /nfs/dbraw/zinc/92/80/92/844928092.db2.gz DKHASDKNSGVKIH-RVBZMBCESA-N 2 0 352.357 -0.292 20 0 FBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219613107 844928319 /nfs/dbraw/zinc/92/83/19/844928319.db2.gz JGXJOBBLVCCNFV-TVQRCGJNSA-N 2 0 354.373 -0.344 20 0 FBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219613108 844928821 /nfs/dbraw/zinc/92/88/21/844928821.db2.gz JGXJOBBLVCCNFV-ZANVPECISA-N 2 0 354.373 -0.344 20 0 FBADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@H](c1ccco1)N1CCC[NH2+]CC1 ZINC001219615986 844929360 /nfs/dbraw/zinc/92/93/60/844929360.db2.gz LKCPQJGPDKTBEL-YQQAZPJKSA-N 2 0 354.426 -0.205 20 0 FBADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@@H](c1ccco1)N1CCC[NH2+]CC1 ZINC001219615987 844930501 /nfs/dbraw/zinc/93/05/01/844930501.db2.gz LKCPQJGPDKTBEL-ZMSDIMECSA-N 2 0 354.426 -0.205 20 0 FBADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@@H]1Cn2ccnc2C12CC[NH2+]CC2 ZINC001219616019 844930948 /nfs/dbraw/zinc/93/09/48/844930948.db2.gz MFTNBALTUBDPBN-GDZNZVCISA-N 2 0 351.426 -0.687 20 0 FBADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@H]1Cn2ccnc2C12CC[NH2+]CC2 ZINC001219616020 844930958 /nfs/dbraw/zinc/93/09/58/844930958.db2.gz MFTNBALTUBDPBN-IIYDPXPESA-N 2 0 351.426 -0.687 20 0 FBADRP [NH3+]C1CCN([C@H](C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)c2ccco2)CC1 ZINC001219616046 844930518 /nfs/dbraw/zinc/93/05/18/844930518.db2.gz MZWCEMSZRALDLI-YQQAZPJKSA-N 2 0 354.426 -0.078 20 0 FBADRP [NH3+]C1CCN([C@@H](C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)c2ccco2)CC1 ZINC001219616047 844931120 /nfs/dbraw/zinc/93/11/20/844931120.db2.gz MZWCEMSZRALDLI-ZMSDIMECSA-N 2 0 354.426 -0.078 20 0 FBADRP [NH3+][C@@H](CC(=O)OCc1ccccc1)C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219616761 844930935 /nfs/dbraw/zinc/93/09/35/844930935.db2.gz CKXQAPCSRMSHAA-GRDNDAEWSA-N 2 0 353.394 -0.374 20 0 FBADRP [NH3+][C@@H](CCCCNC(=O)C(F)(F)F)C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219622001 844934279 /nfs/dbraw/zinc/93/42/79/844934279.db2.gz MDFXIILTONLTMB-OUJBWJOFSA-N 2 0 372.363 -0.659 20 0 FBADRP C[NH+]1CCN(c2cncc(C(=O)NC[C@]3(O)CC[NH2+]C[C@@H]3F)c2)CC1 ZINC001219624369 844935383 /nfs/dbraw/zinc/93/53/83/844935383.db2.gz JNRXONQHSCKLEA-DOTOQJQBSA-N 2 0 351.426 -0.374 20 0 FBADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)c1cccc(CN2CC[NH2+]CC2)c1 ZINC001219626296 844935921 /nfs/dbraw/zinc/93/59/21/844935921.db2.gz RBQRWPIECUCFLV-FUHWJXTLSA-N 2 0 350.438 -0.116 20 0 FBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCCN1CCCCO1 ZINC001219632669 844939006 /nfs/dbraw/zinc/93/90/06/844939006.db2.gz PVGHTMPQTKTGKW-GJZGRUSLSA-N 2 0 355.483 -0.423 20 0 FBADRP Cn1cnc(CCNC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])c1 ZINC001219633858 844938478 /nfs/dbraw/zinc/93/84/78/844938478.db2.gz GKNABSWOKPTOJK-GJZGRUSLSA-N 2 0 350.467 -0.474 20 0 FBADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001219651209 844944630 /nfs/dbraw/zinc/94/46/30/844944630.db2.gz UOQYOQCWYUWASP-FZKCQIBNSA-N 3 0 353.511 -0.205 20 0 FBADRP C[C@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001219651211 844944428 /nfs/dbraw/zinc/94/44/28/844944428.db2.gz UOQYOQCWYUWASP-UGUYLWEFSA-N 3 0 353.511 -0.205 20 0 FBADRP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001219651212 844944619 /nfs/dbraw/zinc/94/46/19/844944619.db2.gz UOQYOQCWYUWASP-VGWMRTNUSA-N 3 0 353.511 -0.205 20 0 FBADRP C[C@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001219651213 844944206 /nfs/dbraw/zinc/94/42/06/844944206.db2.gz UOQYOQCWYUWASP-WCVJEAGWSA-N 3 0 353.511 -0.205 20 0 FBADRP C[C@@H](O)CCC[N@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001219652112 844944525 /nfs/dbraw/zinc/94/45/25/844944525.db2.gz AQJLCZMHGLKWJK-BMFZPTHFSA-N 2 0 353.467 -0.619 20 0 FBADRP C[C@H](O)CCC[N@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001219652113 844944488 /nfs/dbraw/zinc/94/44/88/844944488.db2.gz AQJLCZMHGLKWJK-IMJJTQAJSA-N 2 0 353.467 -0.619 20 0 FBADRP COCCCC[N@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001219652329 844944701 /nfs/dbraw/zinc/94/47/01/844944701.db2.gz SELGXVKXLJGKBY-CVEARBPZSA-N 2 0 353.467 -0.354 20 0 FBADRP CCOCCC[N@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001219652356 844944684 /nfs/dbraw/zinc/94/46/84/844944684.db2.gz USNFFLJRKLSYLU-CVEARBPZSA-N 2 0 353.467 -0.354 20 0 FBADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)NCCC1(O)C[NH2+]C1 ZINC001219697620 844959337 /nfs/dbraw/zinc/95/93/37/844959337.db2.gz VVURUCCKXOBCPC-AVGNSLFASA-N 2 0 360.524 -0.562 20 0 FBADRP Nc1nc(=O)[nH]cc1NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001219702320 844959662 /nfs/dbraw/zinc/95/96/62/844959662.db2.gz ZKBSBZNGKLQUKR-ONGXEEELSA-N 2 0 351.411 -0.850 20 0 FBADRP CS(=O)(=O)c1ccc(CNC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)nc1 ZINC001219716523 844962755 /nfs/dbraw/zinc/96/27/55/844962755.db2.gz QZNUTYOFPLVUGS-AWEZNQCLSA-N 2 0 352.460 -0.025 20 0 FBADRP CS(=O)(=O)c1ccc(CNC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)nc1 ZINC001219716524 844963297 /nfs/dbraw/zinc/96/32/97/844963297.db2.gz QZNUTYOFPLVUGS-CQSZACIVSA-N 2 0 352.460 -0.025 20 0 FBADRP [NH3+][C@H](CSCNC(=O)Cc1ccccc1)C(=O)N[C@@H]1COC[C@@H]1[NH3+] ZINC001219720569 844964021 /nfs/dbraw/zinc/96/40/21/844964021.db2.gz MYKKDVALKVYTHK-BFHYXJOUSA-N 2 0 352.460 -0.794 20 0 FBADRP CSCC[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)N[C@@H]1COC[C@@H]1[NH3+] ZINC001219720613 844964052 /nfs/dbraw/zinc/96/40/52/844964052.db2.gz NPHDZAKGDWPPOX-FIQHERPVSA-N 2 0 364.537 -0.853 20 0 FBADRP [NH3+][C@H]1COC[C@H]1NC(=O)c1cccc(S(=O)(=O)NC2CC[NH2+]CC2)c1 ZINC001219720975 844964446 /nfs/dbraw/zinc/96/44/46/844964446.db2.gz WWCOMCMKYIXHJX-LSDHHAIUSA-N 2 0 368.459 -0.827 20 0 FBADRP [NH3+][C@@H](CCCCNC(=O)C(F)(F)F)C(=O)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219739407 844973653 /nfs/dbraw/zinc/97/36/53/844973653.db2.gz NPWXZPHVNDQGEQ-MNOVXSKESA-N 2 0 366.384 -0.343 20 0 FBADRP [NH3+][C@@H](CCCCNC(=O)C(F)(F)F)C(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219739408 844973782 /nfs/dbraw/zinc/97/37/82/844973782.db2.gz NPWXZPHVNDQGEQ-QWRGUYRKSA-N 2 0 366.384 -0.343 20 0 FBADRP Nc1nc(=O)c(F)cn1C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001219741215 844976272 /nfs/dbraw/zinc/97/62/72/844976272.db2.gz CXSDGRJHBIHJMD-QWRGUYRKSA-N 2 0 354.386 -0.705 20 0 FBADRP O=C(NC[C@@H]1CCC2(CC[NH2+]CC2)O1)[C@@H]1CNC(=O)C12CC[NH2+]CC2 ZINC001219741327 844975956 /nfs/dbraw/zinc/97/59/56/844975956.db2.gz HHBARWHCJDKBGK-KBPBESRZSA-N 2 0 350.463 -0.480 20 0 FBADRP O=C(NC[C@H]1CCC2(CC[NH2+]CC2)O1)[C@@H]1CNC(=O)C12CC[NH2+]CC2 ZINC001219741328 844976281 /nfs/dbraw/zinc/97/62/81/844976281.db2.gz HHBARWHCJDKBGK-KGLIPLIRSA-N 2 0 350.463 -0.480 20 0 FBADRP O=C(NC[C@@H]1CCC2(CC[NH2+]CC2)O1)[C@H]1CNC(=O)C12CC[NH2+]CC2 ZINC001219741329 844976293 /nfs/dbraw/zinc/97/62/93/844976293.db2.gz HHBARWHCJDKBGK-UONOGXRCSA-N 2 0 350.463 -0.480 20 0 FBADRP O=C(NC[C@H]1CCC2(CC[NH2+]CC2)O1)[C@H]1CNC(=O)C12CC[NH2+]CC2 ZINC001219741330 844975763 /nfs/dbraw/zinc/97/57/63/844975763.db2.gz HHBARWHCJDKBGK-ZIAGYGMSSA-N 2 0 350.463 -0.480 20 0 FBADRP CC(C)(C)OC(=O)CC[C@@H]([NH3+])C(=O)NCc1nnc2n1CCC[NH2+]C2 ZINC001219748983 844979537 /nfs/dbraw/zinc/97/95/37/844979537.db2.gz GMMXNXVIUOKVEM-LLVKDONJSA-N 2 0 352.439 -0.163 20 0 FBADRP C[NH2+][C@@H](CC(=O)OC(C)(C)C)C(=O)NCc1nnc2n1CCC[NH2+]C2 ZINC001219749220 844979588 /nfs/dbraw/zinc/97/95/88/844979588.db2.gz KIWWSLHLWRRLPE-NSHDSACASA-N 2 0 352.439 -0.293 20 0 FBADRP [NH3+]C1(C(=O)NCc2nnc3n2CCC[NH2+]C3)CCC2(CC1)OCCO2 ZINC001219750199 844979330 /nfs/dbraw/zinc/97/93/30/844979330.db2.gz XGHWDKFEJNGAQL-UHFFFAOYSA-N 2 0 350.423 -0.598 20 0 FBADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)NCc1nnc2n1CCC[NH2+]C2 ZINC001219750283 844979502 /nfs/dbraw/zinc/97/95/02/844979502.db2.gz ZZQMOLVCWCNJCR-RYUDHWBXSA-N 2 0 351.455 -0.734 20 0 FBADRP O=C(NCc1nnc2n1CCC[NH2+]C2)c1csc(N2CC[NH2+]CC2)n1 ZINC001219751067 844979300 /nfs/dbraw/zinc/97/93/00/844979300.db2.gz LZLSKJCQDSKSFX-UHFFFAOYSA-N 2 0 362.463 -0.433 20 0 FBADRP [NH3+][C@H](C(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)C1CCC2(CC1)OCCO2 ZINC001219765861 844984185 /nfs/dbraw/zinc/98/41/85/844984185.db2.gz FTRSOIKADRFYOY-KBMXLJTQSA-N 2 0 352.479 -0.343 20 0 FBADRP [NH3+][C@@H](C(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)C1CCC2(CC1)OCCO2 ZINC001219765862 844984689 /nfs/dbraw/zinc/98/46/89/844984689.db2.gz FTRSOIKADRFYOY-VNQPRFMTSA-N 2 0 352.479 -0.343 20 0 FBADRP O=C(NC[C@H]1C[C@H]2C[NH2+]CCN2C1)c1csc(N2CC[NH2+]CC2)n1 ZINC001219765954 844984900 /nfs/dbraw/zinc/98/49/00/844984900.db2.gz JKPIWUYIIOHMAD-OLZOCXBDSA-N 2 0 350.492 -0.424 20 0 FBADRP [NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)NC[C@@]1(F)CCC[NH2+]C1 ZINC001219768886 844984942 /nfs/dbraw/zinc/98/49/42/844984942.db2.gz QHVJFCZEJNEYAE-BLLLJJGKSA-N 2 0 352.414 -0.478 20 0 FBADRP [NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)NC[C@]1(F)CCC[NH2+]C1 ZINC001219768887 844984522 /nfs/dbraw/zinc/98/45/22/844984522.db2.gz QHVJFCZEJNEYAE-LRDDRELGSA-N 2 0 352.414 -0.478 20 0 FBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NC[C@@]1(F)CCC[NH2+]C1 ZINC001219769421 844985820 /nfs/dbraw/zinc/98/58/20/844985820.db2.gz WMGWERLZICWLJJ-GRDNDAEWSA-N 3 0 357.474 -0.358 20 0 FBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NC[C@]1(F)CCC[NH2+]C1 ZINC001219769422 844986019 /nfs/dbraw/zinc/98/60/19/844986019.db2.gz WMGWERLZICWLJJ-ZQIUZPCESA-N 3 0 357.474 -0.358 20 0 FBADRP CC(=O)NCSC[C@H]([NH3+])C(=O)NCC[C@@H]1C[NH2+]Cc2cccn2C1 ZINC001219787520 844990201 /nfs/dbraw/zinc/99/02/01/844990201.db2.gz FZXIJTITPCKNJN-HIFRSBDPSA-N 2 0 353.492 -0.132 20 0 FBADRP CC(=O)NCSC[C@H]([NH3+])C(=O)NCC[C@H]1C[NH2+]Cc2cccn2C1 ZINC001219787521 844990778 /nfs/dbraw/zinc/99/07/78/844990778.db2.gz FZXIJTITPCKNJN-ZFWWWQNUSA-N 2 0 353.492 -0.132 20 0 FBADRP O=C(NCC[C@H]1C[NH2+]Cc2cccn2C1)[C@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001219787957 844990347 /nfs/dbraw/zinc/99/03/47/844990347.db2.gz NUJZCFAKUXNHKD-DZGCQCFKSA-N 2 0 366.487 -0.510 20 0 FBADRP O=C(NCC[C@@H]1C[NH2+]Cc2cccn2C1)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001219787958 844991473 /nfs/dbraw/zinc/99/14/73/844991473.db2.gz NUJZCFAKUXNHKD-HIFRSBDPSA-N 2 0 366.487 -0.510 20 0 FBADRP O=C(NCC[C@@H]1C[NH2+]Cc2cccn2C1)[C@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001219787960 844992151 /nfs/dbraw/zinc/99/21/51/844992151.db2.gz NUJZCFAKUXNHKD-UKRRQHHQSA-N 2 0 366.487 -0.510 20 0 FBADRP O=C(NCC[C@H]1C[NH2+]Cc2cccn2C1)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001219787962 844991447 /nfs/dbraw/zinc/99/14/47/844991447.db2.gz NUJZCFAKUXNHKD-ZFWWWQNUSA-N 2 0 366.487 -0.510 20 0 FBADRP O=C(NC1CCN(C2CC[NH2+]CC2)CC1)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001219794100 844992788 /nfs/dbraw/zinc/99/27/88/844992788.db2.gz QNKAFWXZXPGCAZ-HNNXBMFYSA-N 2 0 370.519 -0.904 20 0 FBADRP O=C(NC1CCN(C2CC[NH2+]CC2)CC1)[C@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001219794101 844993158 /nfs/dbraw/zinc/99/31/58/844993158.db2.gz QNKAFWXZXPGCAZ-OAHLLOKOSA-N 2 0 370.519 -0.904 20 0 FBADRP COCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)[C@@H](O)C1 ZINC001219794993 844994602 /nfs/dbraw/zinc/99/46/02/844994602.db2.gz WVXIWVYYXBSEJI-IKGGRYGDSA-N 2 0 355.479 -0.172 20 0 FBADRP COCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)[C@@H](O)C1 ZINC001219794994 844994774 /nfs/dbraw/zinc/99/47/74/844994774.db2.gz WVXIWVYYXBSEJI-ZACQAIPSSA-N 2 0 355.479 -0.172 20 0 FBADRP CC(=O)NCSC[C@H]([NH3+])C(=O)NC1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC001219795479 844994683 /nfs/dbraw/zinc/99/46/83/844994683.db2.gz AMYJEOMDHXBCLP-HNNXBMFYSA-N 3 0 357.524 -0.527 20 0 FBADRP COC(=O)[C@@H]1C[C@@H](C(=O)NC2CC[NH+](C3CC[NH2+]CC3)CC2)CCN1 ZINC001219796127 844994750 /nfs/dbraw/zinc/99/47/50/844994750.db2.gz NKOWJCITVFYNLT-BBRMVZONSA-N 2 0 352.479 -0.140 20 0 FBADRP COC(=O)[C@@H]1C[C@H](C(=O)NC2CC[NH+](C3CC[NH2+]CC3)CC2)CCN1 ZINC001219796128 844994397 /nfs/dbraw/zinc/99/43/97/844994397.db2.gz NKOWJCITVFYNLT-CJNGLKHVSA-N 2 0 352.479 -0.140 20 0 FBADRP COC(=O)[C@H]1C[C@H](C(=O)NC2CC[NH+](C3CC[NH2+]CC3)CC2)CCN1 ZINC001219796129 844994490 /nfs/dbraw/zinc/99/44/90/844994490.db2.gz NKOWJCITVFYNLT-CZUORRHYSA-N 2 0 352.479 -0.140 20 0 FBADRP COC(=O)[C@H]1C[C@@H](C(=O)NC2CC[NH+](C3CC[NH2+]CC3)CC2)CCN1 ZINC001219796130 844994553 /nfs/dbraw/zinc/99/45/53/844994553.db2.gz NKOWJCITVFYNLT-XJKSGUPXSA-N 2 0 352.479 -0.140 20 0 FBADRP [NH3+][C@H]1CCCCN(CC(=O)NC2CC[NH+](C3CC[NH2+]CC3)CC2)C1=O ZINC001219796210 844994379 /nfs/dbraw/zinc/99/43/79/844994379.db2.gz QYBKVRMVWNERNG-INIZCTEOSA-N 3 0 351.495 -0.341 20 0 FBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)NC1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC001219796223 844994331 /nfs/dbraw/zinc/99/43/31/844994331.db2.gz RMYRIDWQAVEUGA-KRWDZBQOSA-N 3 0 353.511 -0.047 20 0 FBADRP CC(C)C[C@H]([NH3+])C(=O)NCC(=O)NC1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC001219796281 844994353 /nfs/dbraw/zinc/99/43/53/844994353.db2.gz UKZUJRXVEQVXRZ-INIZCTEOSA-N 3 0 353.511 -0.191 20 0 FBADRP CC(=O)NCCCC[C@H]([NH3+])C(=O)NC1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC001219796294 844994731 /nfs/dbraw/zinc/99/47/31/844994731.db2.gz UTOBTVRHDMONJL-KRWDZBQOSA-N 3 0 353.511 -0.047 20 0 FBADRP C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NC1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC001219796314 844994454 /nfs/dbraw/zinc/99/44/54/844994454.db2.gz VJLRXJZQFAQNGA-BBRMVZONSA-N 3 0 351.495 -0.343 20 0 FBADRP C[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@@H](C)C(=O)NC1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC001219796356 844994707 /nfs/dbraw/zinc/99/47/07/844994707.db2.gz WYTOTCIGTQOLIO-CZPYZCIJSA-N 2 0 352.479 -0.550 20 0 FBADRP C[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@H](C)C(=O)NC1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC001219796357 844996202 /nfs/dbraw/zinc/99/62/02/844996202.db2.gz WYTOTCIGTQOLIO-UAXWRAGISA-N 2 0 352.479 -0.550 20 0 FBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)NC1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC001219796373 844995315 /nfs/dbraw/zinc/99/53/15/844995315.db2.gz XMTVXZURTWIXPD-GUYCJALGSA-N 3 0 353.511 -0.191 20 0 FBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)NC1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC001219796398 844995728 /nfs/dbraw/zinc/99/57/28/844995728.db2.gz YPLBYJNTWYLOHC-HZPDHXFCSA-N 3 0 352.479 -0.282 20 0 FBADRP CC(C)COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219798152 844996030 /nfs/dbraw/zinc/99/60/30/844996030.db2.gz GMFIHVOWVYEGIY-OAGGEKHMSA-N 2 0 357.495 -0.335 20 0 FBADRP CC(C)COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219798153 844996386 /nfs/dbraw/zinc/99/63/86/844996386.db2.gz GMFIHVOWVYEGIY-XHSDSOJGSA-N 2 0 357.495 -0.335 20 0 FBADRP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+](CCCO[C@@H]3CCOC3)C[C@@H]2O)CCC1 ZINC001219798260 844995785 /nfs/dbraw/zinc/99/57/85/844995785.db2.gz HRMSWDLFYBTWLS-OAGGEKHMSA-N 2 0 355.479 -0.172 20 0 FBADRP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+](CCCO[C@H]3CCOC3)C[C@@H]2O)CCC1 ZINC001219798262 844995826 /nfs/dbraw/zinc/99/58/26/844995826.db2.gz HRMSWDLFYBTWLS-XHSDSOJGSA-N 2 0 355.479 -0.172 20 0 FBADRP C[N@@H+]1C[C@@H](C(=O)NCC[C@@H]2CCOC23C[NH2+]C3)OC2(CC[NH2+]CC2)C1 ZINC001219799701 844997563 /nfs/dbraw/zinc/99/75/63/844997563.db2.gz BAUOLRIJZCLNRK-CABCVRRESA-N 3 0 352.479 -0.676 20 0 FBADRP C[N@@H+]1C[C@@H](C(=O)NCC[C@H]2CCOC23C[NH2+]C3)OC2(CC[NH2+]CC2)C1 ZINC001219799702 844997342 /nfs/dbraw/zinc/99/73/42/844997342.db2.gz BAUOLRIJZCLNRK-GJZGRUSLSA-N 3 0 352.479 -0.676 20 0 FBADRP C[N@@H+]1C[C@H](C(=O)NCC[C@@H]2CCOC23C[NH2+]C3)OC2(CC[NH2+]CC2)C1 ZINC001219799703 844997415 /nfs/dbraw/zinc/99/74/15/844997415.db2.gz BAUOLRIJZCLNRK-HUUCEWRRSA-N 3 0 352.479 -0.676 20 0 FBADRP C[N@@H+]1C[C@H](C(=O)NCC[C@H]2CCOC23C[NH2+]C3)OC2(CC[NH2+]CC2)C1 ZINC001219799704 844996880 /nfs/dbraw/zinc/99/68/80/844996880.db2.gz BAUOLRIJZCLNRK-LSDHHAIUSA-N 3 0 352.479 -0.676 20 0 FBADRP O=C(NCC[C@H]1CCOC12C[NH2+]C2)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001219799849 844997305 /nfs/dbraw/zinc/99/73/05/844997305.db2.gz DWZFUXMMLDMRTP-KBPBESRZSA-N 2 0 371.503 -0.714 20 0 FBADRP O=C(NCC[C@@H]1CCOC12C[NH2+]C2)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001219799850 844997556 /nfs/dbraw/zinc/99/75/56/844997556.db2.gz DWZFUXMMLDMRTP-KGLIPLIRSA-N 2 0 371.503 -0.714 20 0 FBADRP O=C(NCC[C@H]1CCOC12C[NH2+]C2)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001219799851 844996966 /nfs/dbraw/zinc/99/69/66/844996966.db2.gz DWZFUXMMLDMRTP-UONOGXRCSA-N 2 0 371.503 -0.714 20 0 FBADRP O=C(NCC[C@@H]1CCOC12C[NH2+]C2)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001219799852 844996934 /nfs/dbraw/zinc/99/69/34/844996934.db2.gz DWZFUXMMLDMRTP-ZIAGYGMSSA-N 2 0 371.503 -0.714 20 0 FBADRP Cc1noc(CCCN2C[C@@H](NC(=O)C3([NH+](C)C)CCC3)[C@@H](O)C2)n1 ZINC001219801979 844998508 /nfs/dbraw/zinc/99/85/08/844998508.db2.gz ARFIJKBXFOLUJG-KGLIPLIRSA-N 2 0 351.451 -0.044 20 0 FBADRP CC(C)NC(=O)NCCN1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219801982 844998848 /nfs/dbraw/zinc/99/88/48/844998848.db2.gz AVELKYWYCOAVCH-KGLIPLIRSA-N 2 0 355.483 -0.660 20 0 FBADRP Cc1nc(C)n(CCN2C[C@@H](NC(=O)C3([NH+](C)C)CCC3)[C@@H](O)C2)n1 ZINC001219801992 844998598 /nfs/dbraw/zinc/99/85/98/844998598.db2.gz BVYRWTNDPYIHTH-CABCVRRESA-N 2 0 350.467 -0.459 20 0 FBADRP C[NH+](C)C1(C(=O)N[C@@H]2CN(C[C@@H](O)CC(F)(F)F)C[C@@H]2O)CCC1 ZINC001219802169 844998415 /nfs/dbraw/zinc/99/84/15/844998415.db2.gz GRCWFJZORCCUBQ-TUAOUCFPSA-N 2 0 353.385 -0.055 20 0 FBADRP C[NH+](C)C1(C(=O)N[C@@H]2CN(C[C@H](O)CC(F)(F)F)C[C@@H]2O)CCC1 ZINC001219802170 844999266 /nfs/dbraw/zinc/99/92/66/844999266.db2.gz GRCWFJZORCCUBQ-UTUOFQBUSA-N 2 0 353.385 -0.055 20 0 FBADRP Cc1csc(=O)n1CCN1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219802463 844998577 /nfs/dbraw/zinc/99/85/77/844998577.db2.gz PGSDIYQZAXZPNB-KGLIPLIRSA-N 2 0 368.503 -0.136 20 0 FBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001219802724 844998827 /nfs/dbraw/zinc/99/88/27/844998827.db2.gz BBIJAPMFGHQOLX-OLZOCXBDSA-N 2 0 356.467 -0.870 20 0 FBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)NCC[C@H]1CCOC12C[NH2+]C2 ZINC001219802725 844999055 /nfs/dbraw/zinc/99/90/55/844999055.db2.gz BBIJAPMFGHQOLX-STQMWFEESA-N 2 0 356.467 -0.870 20 0 FBADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)NCC[C@H]2CCOC23C[NH2+]C3)COC1(C)C ZINC001219803009 844998939 /nfs/dbraw/zinc/99/89/39/844998939.db2.gz IOHSCTPKIOKDJX-AVGNSLFASA-N 2 0 354.451 -0.818 20 0 FBADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)NCC[C@@H]2CCOC23C[NH2+]C3)COC1(C)C ZINC001219803010 844998950 /nfs/dbraw/zinc/99/89/50/844998950.db2.gz IOHSCTPKIOKDJX-XQQFMLRXSA-N 2 0 354.451 -0.818 20 0 FBADRP CC(C)NC(=O)NCCN1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219803806 844999003 /nfs/dbraw/zinc/99/90/03/844999003.db2.gz GMHKAMRWDXLJKX-ILXRZTDVSA-N 2 0 355.483 -0.805 20 0 FBADRP CC(C)NC(=O)NCCN1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219803810 844998896 /nfs/dbraw/zinc/99/88/96/844998896.db2.gz GMHKAMRWDXLJKX-QLFBSQMISA-N 2 0 355.483 -0.805 20 0 FBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)NCc1cc(=O)n2c(n1)CNCCC2 ZINC001219806086 845002326 /nfs/dbraw/zinc/00/23/26/845002326.db2.gz JHAUENZEOXSFLW-AWEZNQCLSA-N 2 0 350.467 -0.588 20 0 FBADRP C[C@@H](OC(C)(C)C)[C@H]([NH3+])C(=O)NCc1cc(=O)n2c(n1)CNCCC2 ZINC001219806225 845002170 /nfs/dbraw/zinc/00/21/70/845002170.db2.gz OOZSGPGBPOFMRC-ABAIWWIYSA-N 2 0 351.451 -0.116 20 0 FBADRP C[C@@H](OC(C)(C)C)[C@@H]([NH3+])C(=O)NCc1cc(=O)n2c(n1)CNCCC2 ZINC001219806226 845001967 /nfs/dbraw/zinc/00/19/67/845001967.db2.gz OOZSGPGBPOFMRC-IAQYHMDHSA-N 2 0 351.451 -0.116 20 0 FBADRP O=C(NCc1noc2c1C[NH2+]CC2)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001219809334 845003531 /nfs/dbraw/zinc/00/35/31/845003531.db2.gz JRLHZNFHIRJPNM-GFCCVEGCSA-N 2 0 368.459 -0.649 20 0 FBADRP O=C(NCc1noc2c1C[NH2+]CC2)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001219809335 845003526 /nfs/dbraw/zinc/00/35/26/845003526.db2.gz JRLHZNFHIRJPNM-LBPRGKRZSA-N 2 0 368.459 -0.649 20 0 FBADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)NCc2noc3c2C[NH2+]CC3)COC1(C)C ZINC001219811215 845003553 /nfs/dbraw/zinc/00/35/53/845003553.db2.gz NGBNCYXVCWRXTN-CABZTGNLSA-N 2 0 351.407 -0.753 20 0 FBADRP C[N@H+](CC(=O)N[C@@H]1C[NH+](C[C@H]2CCNC(=O)CC2)C[C@@H]1O)C1CCC1 ZINC001219813834 845004495 /nfs/dbraw/zinc/00/44/95/845004495.db2.gz HJVHIHHHCQQLEF-BMFZPTHFSA-N 2 0 352.479 -0.452 20 0 FBADRP C[N@H+](CC(=O)N[C@@H]1C[NH+](C[C@@H]2CCNC(=O)CC2)C[C@@H]1O)C1CCC1 ZINC001219813835 845004742 /nfs/dbraw/zinc/00/47/42/845004742.db2.gz HJVHIHHHCQQLEF-IMJJTQAJSA-N 2 0 352.479 -0.452 20 0 FBADRP [NH3+][C@@H](CCCCNC(=O)C(F)(F)F)C(=O)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219814395 845005325 /nfs/dbraw/zinc/00/53/25/845005325.db2.gz CHXCUPKBOXUWPY-MJVIPROJSA-N 2 0 366.384 -0.485 20 0 FBADRP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCCO[C@H]2CCOC2)C[C@@H]1O)C1CCC1 ZINC001219815681 845006945 /nfs/dbraw/zinc/00/69/45/845006945.db2.gz FJVOCIISEASTKB-BBWFWOEESA-N 2 0 355.479 -0.172 20 0 FBADRP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCCO[C@@H]2CCOC2)C[C@@H]1O)C1CCC1 ZINC001219815682 845007694 /nfs/dbraw/zinc/00/76/94/845007694.db2.gz FJVOCIISEASTKB-ZACQAIPSSA-N 2 0 355.479 -0.172 20 0 FBADRP CC(C)COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219816036 845007660 /nfs/dbraw/zinc/00/76/60/845007660.db2.gz WCLRTGMYBRHWLQ-BBWFWOEESA-N 2 0 357.495 -0.335 20 0 FBADRP CC(C)COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219816037 845007910 /nfs/dbraw/zinc/00/79/10/845007910.db2.gz WCLRTGMYBRHWLQ-ZACQAIPSSA-N 2 0 357.495 -0.335 20 0 FBADRP O=C(N[C@H]1C[NH2+]Cc2ccsc21)[C@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001219823580 845009234 /nfs/dbraw/zinc/00/92/34/845009234.db2.gz RREJRMURSBYKLL-NEPJUHHUSA-N 2 0 359.459 -0.054 20 0 FBADRP O=C(N[C@@H]1C[NH2+]Cc2ccsc21)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001219823581 845010960 /nfs/dbraw/zinc/01/09/60/845010960.db2.gz RREJRMURSBYKLL-NWDGAFQWSA-N 2 0 359.459 -0.054 20 0 FBADRP O=C(N[C@H]1C[NH2+]Cc2ccsc21)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001219823583 845010637 /nfs/dbraw/zinc/01/06/37/845010637.db2.gz RREJRMURSBYKLL-RYUDHWBXSA-N 2 0 359.459 -0.054 20 0 FBADRP O=C(N[C@@H]1C[NH2+]Cc2ccsc21)[C@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001219823584 845010780 /nfs/dbraw/zinc/01/07/80/845010780.db2.gz RREJRMURSBYKLL-VXGBXAGGSA-N 2 0 359.459 -0.054 20 0 FBADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N[C@H]1C[NH2+]Cc2ccsc21)C(N)=O ZINC001219825026 845010591 /nfs/dbraw/zinc/01/05/91/845010591.db2.gz BKWKOTICZYTGDT-GDPRMGEGSA-N 2 0 353.448 -0.894 20 0 FBADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N[C@@H]1C[NH2+]Cc2ccsc21)C(N)=O ZINC001219825027 845010419 /nfs/dbraw/zinc/01/04/19/845010419.db2.gz BKWKOTICZYTGDT-JMJZKYOTSA-N 2 0 353.448 -0.894 20 0 FBADRP [NH3+][C@@H](CCCCNC(=O)C(F)(F)F)C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831671 845012473 /nfs/dbraw/zinc/01/24/73/845012473.db2.gz TWXRGZKERYGIRT-WYUUTHIRSA-N 2 0 366.384 -0.344 20 0 FBADRP O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001219833257 845013842 /nfs/dbraw/zinc/01/38/42/845013842.db2.gz BBUFYZWFCQZHCR-IIDMSEBBSA-N 2 0 353.463 -0.344 20 0 FBADRP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001219833259 845013378 /nfs/dbraw/zinc/01/33/78/845013378.db2.gz BBUFYZWFCQZHCR-RKVPGOIHSA-N 2 0 353.463 -0.344 20 0 FBADRP O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001219833260 845013632 /nfs/dbraw/zinc/01/36/32/845013632.db2.gz BBUFYZWFCQZHCR-RVKKMQEKSA-N 2 0 353.463 -0.344 20 0 FBADRP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001219833261 845013310 /nfs/dbraw/zinc/01/33/10/845013310.db2.gz BBUFYZWFCQZHCR-VKJFTORMSA-N 2 0 353.463 -0.344 20 0 FBADRP O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001219833366 845014080 /nfs/dbraw/zinc/01/40/80/845014080.db2.gz CJZHEYXJPVUYGL-IIDMSEBBSA-N 2 0 353.463 -0.344 20 0 FBADRP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001219833367 845013511 /nfs/dbraw/zinc/01/35/11/845013511.db2.gz CJZHEYXJPVUYGL-RKVPGOIHSA-N 2 0 353.463 -0.344 20 0 FBADRP O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001219833368 845013781 /nfs/dbraw/zinc/01/37/81/845013781.db2.gz CJZHEYXJPVUYGL-RVKKMQEKSA-N 2 0 353.463 -0.344 20 0 FBADRP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001219833369 845013319 /nfs/dbraw/zinc/01/33/19/845013319.db2.gz CJZHEYXJPVUYGL-VKJFTORMSA-N 2 0 353.463 -0.344 20 0 FBADRP O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@H]1C[NH2+]CC12CCOCC2 ZINC001219833624 845014120 /nfs/dbraw/zinc/01/41/20/845014120.db2.gz FQWCLUZUEBFIDB-IIDMSEBBSA-N 2 0 353.463 -0.486 20 0 FBADRP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@H]1C[NH2+]CC12CCOCC2 ZINC001219833625 845013407 /nfs/dbraw/zinc/01/34/07/845013407.db2.gz FQWCLUZUEBFIDB-RKVPGOIHSA-N 2 0 353.463 -0.486 20 0 FBADRP O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@@H]1C[NH2+]CC12CCOCC2 ZINC001219833626 845013440 /nfs/dbraw/zinc/01/34/40/845013440.db2.gz FQWCLUZUEBFIDB-RVKKMQEKSA-N 2 0 353.463 -0.486 20 0 FBADRP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@@H]1C[NH2+]CC12CCOCC2 ZINC001219833627 845014101 /nfs/dbraw/zinc/01/41/01/845014101.db2.gz FQWCLUZUEBFIDB-VKJFTORMSA-N 2 0 353.463 -0.486 20 0 FBADRP O=C(C[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219833705 845013707 /nfs/dbraw/zinc/01/37/07/845013707.db2.gz HLUYKIVXRMNAGY-JLOCXQCDSA-N 2 0 353.463 -0.488 20 0 FBADRP O=C(C[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219833706 845014091 /nfs/dbraw/zinc/01/40/91/845014091.db2.gz HLUYKIVXRMNAGY-MAPUTHEBSA-N 2 0 353.463 -0.488 20 0 FBADRP O=C(C[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219833707 845013524 /nfs/dbraw/zinc/01/35/24/845013524.db2.gz HLUYKIVXRMNAGY-QXUSFIETSA-N 2 0 353.463 -0.488 20 0 FBADRP O=C(C[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219833708 845013701 /nfs/dbraw/zinc/01/37/01/845013701.db2.gz HLUYKIVXRMNAGY-VNIVASGNSA-N 2 0 353.463 -0.488 20 0 FBADRP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC001219834051 845014058 /nfs/dbraw/zinc/01/40/58/845014058.db2.gz NYJBHTROFDHKSI-BYNQJWBRSA-N 2 0 351.369 -0.104 20 0 FBADRP O=C(NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC001219834052 845013895 /nfs/dbraw/zinc/01/38/95/845013895.db2.gz NYJBHTROFDHKSI-FMCLSXCISA-N 2 0 351.369 -0.104 20 0 FBADRP O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC001219834054 845013356 /nfs/dbraw/zinc/01/33/56/845013356.db2.gz NYJBHTROFDHKSI-HKUMRIAESA-N 2 0 351.369 -0.104 20 0 FBADRP O=C(NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC001219834055 845013712 /nfs/dbraw/zinc/01/37/12/845013712.db2.gz NYJBHTROFDHKSI-SFTQSGBHSA-N 2 0 351.369 -0.104 20 0 FBADRP O=C(NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@@]12CCCO[C@@H]1CC[NH2+]C2 ZINC001219834154 845013799 /nfs/dbraw/zinc/01/37/99/845013799.db2.gz OMFPIAQRKZGPOA-BURFUSLBSA-N 2 0 353.463 -0.344 20 0 FBADRP O=C(NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@@]12CCCO[C@@H]1CC[NH2+]C2 ZINC001219834155 845014140 /nfs/dbraw/zinc/01/41/40/845014140.db2.gz OMFPIAQRKZGPOA-CIRFHOKZSA-N 2 0 353.463 -0.344 20 0 FBADRP O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@@]12CCCO[C@@H]1CC[NH2+]C2 ZINC001219834156 845013654 /nfs/dbraw/zinc/01/36/54/845013654.db2.gz OMFPIAQRKZGPOA-JOCBIADPSA-N 2 0 353.463 -0.344 20 0 FBADRP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@@]12CCCO[C@@H]1CC[NH2+]C2 ZINC001219834157 845013397 /nfs/dbraw/zinc/01/33/97/845013397.db2.gz OMFPIAQRKZGPOA-XYVMCAHJSA-N 2 0 353.463 -0.344 20 0 FBADRP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@@H]1CC[C@@]2(C1)C[NH2+]CCO2 ZINC001219834511 845015546 /nfs/dbraw/zinc/01/55/46/845015546.db2.gz QXZPCTWEEFZDEB-AHCXZYCDSA-N 2 0 353.463 -0.344 20 0 FBADRP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@H]1CC[C@@]2(C1)C[NH2+]CCO2 ZINC001219834512 845015119 /nfs/dbraw/zinc/01/51/19/845015119.db2.gz QXZPCTWEEFZDEB-ATLSCFEFSA-N 2 0 353.463 -0.344 20 0 FBADRP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@H]1CC[C@]2(C1)C[NH2+]CCO2 ZINC001219834513 845015008 /nfs/dbraw/zinc/01/50/08/845015008.db2.gz QXZPCTWEEFZDEB-FZCLSBEQSA-N 2 0 353.463 -0.344 20 0 FBADRP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@@H]1CC[C@]2(C1)C[NH2+]CCO2 ZINC001219834514 845015300 /nfs/dbraw/zinc/01/53/00/845015300.db2.gz QXZPCTWEEFZDEB-LMSBXDPUSA-N 2 0 353.463 -0.344 20 0 FBADRP O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001219835197 845014898 /nfs/dbraw/zinc/01/48/98/845014898.db2.gz YXQRONBILVGGNX-IIDMSEBBSA-N 3 0 352.479 -0.628 20 0 FBADRP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001219835199 845015402 /nfs/dbraw/zinc/01/54/02/845015402.db2.gz YXQRONBILVGGNX-RKVPGOIHSA-N 3 0 352.479 -0.628 20 0 FBADRP O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001219835200 845015507 /nfs/dbraw/zinc/01/55/07/845015507.db2.gz YXQRONBILVGGNX-RVKKMQEKSA-N 3 0 352.479 -0.628 20 0 FBADRP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001219835202 845015184 /nfs/dbraw/zinc/01/51/84/845015184.db2.gz YXQRONBILVGGNX-VKJFTORMSA-N 3 0 352.479 -0.628 20 0 FBADRP CC(C)(C)[N@@H+]1CCN[C@H](C(=O)NC[C@H]2CO[C@@]3(C2)C[NH2+]CCOC3)C1 ZINC001219838230 845016167 /nfs/dbraw/zinc/01/61/67/845016167.db2.gz OXLZIMSGMWIHLQ-MPGHIAIKSA-N 2 0 354.495 -0.430 20 0 FBADRP CC(C)(C)[N@@H+]1CCN[C@H](C(=O)NC[C@H]2CO[C@]3(C2)C[NH2+]CCOC3)C1 ZINC001219838231 845016445 /nfs/dbraw/zinc/01/64/45/845016445.db2.gz OXLZIMSGMWIHLQ-RLFYNMQTSA-N 2 0 354.495 -0.430 20 0 FBADRP CC(C)(C)[N@@H+]1CCN[C@H](C(=O)NC[C@@H]2CO[C@]3(C2)C[NH2+]CCOC3)C1 ZINC001219838310 845016411 /nfs/dbraw/zinc/01/64/11/845016411.db2.gz OXLZIMSGMWIHLQ-RVKKMQEKSA-N 2 0 354.495 -0.430 20 0 FBADRP CC(C)(C)[N@@H+]1CCN[C@H](C(=O)NC[C@@H]2CO[C@@]3(C2)C[NH2+]CCOC3)C1 ZINC001219838311 845016330 /nfs/dbraw/zinc/01/63/30/845016330.db2.gz OXLZIMSGMWIHLQ-VKJFTORMSA-N 2 0 354.495 -0.430 20 0 FBADRP CO[C@H]([C@@H](C)C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@@H]1CCC[NH2+]1 ZINC001219838380 845016734 /nfs/dbraw/zinc/01/67/34/845016734.db2.gz PRAFKQMOYZOAII-JFBPSJKJSA-N 2 0 355.479 -0.099 20 0 FBADRP CO[C@H]([C@@H](C)C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@@H]1CCC[NH2+]1 ZINC001219838381 845016304 /nfs/dbraw/zinc/01/63/04/845016304.db2.gz PRAFKQMOYZOAII-QFXBJFAPSA-N 2 0 355.479 -0.099 20 0 FBADRP CO[C@H]([C@@H](C)C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@@H]1CCC[NH2+]1 ZINC001219838382 845016183 /nfs/dbraw/zinc/01/61/83/845016183.db2.gz PRAFKQMOYZOAII-QYXWGXCQSA-N 2 0 355.479 -0.099 20 0 FBADRP CO[C@H]([C@@H](C)C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@@H]1CCC[NH2+]1 ZINC001219838383 845016221 /nfs/dbraw/zinc/01/62/21/845016221.db2.gz PRAFKQMOYZOAII-XLKGFZLASA-N 2 0 355.479 -0.099 20 0 FBADRP CC(=O)NCCCC[C@H]([NH3+])C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219838400 845016267 /nfs/dbraw/zinc/01/62/67/845016267.db2.gz PXDINTZJUMHFQK-HLLBOEOZSA-N 2 0 356.467 -0.869 20 0 FBADRP CC(=O)NCCCC[C@H]([NH3+])C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219838401 845016427 /nfs/dbraw/zinc/01/64/27/845016427.db2.gz PXDINTZJUMHFQK-VYDXJSESSA-N 2 0 356.467 -0.869 20 0 FBADRP CC(=O)NCCCC[C@H]([NH3+])C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219838402 845016563 /nfs/dbraw/zinc/01/65/63/845016563.db2.gz PXDINTZJUMHFQK-YQQAZPJKSA-N 2 0 356.467 -0.869 20 0 FBADRP CC(=O)NCCCC[C@H]([NH3+])C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219838403 845016756 /nfs/dbraw/zinc/01/67/56/845016756.db2.gz PXDINTZJUMHFQK-ZOBUZTSGSA-N 2 0 356.467 -0.869 20 0 FBADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219838780 845016463 /nfs/dbraw/zinc/01/64/63/845016463.db2.gz UOKZWWPRSDALTL-BQFCYCMXSA-N 3 0 356.511 -0.007 20 0 FBADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219838781 845016689 /nfs/dbraw/zinc/01/66/89/845016689.db2.gz UOKZWWPRSDALTL-RYRKJORJSA-N 3 0 356.511 -0.007 20 0 FBADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219838782 845015992 /nfs/dbraw/zinc/01/59/92/845015992.db2.gz UOKZWWPRSDALTL-SOLBZPMBSA-N 3 0 356.511 -0.007 20 0 FBADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219838783 845016342 /nfs/dbraw/zinc/01/63/42/845016342.db2.gz UOKZWWPRSDALTL-XYJFISCASA-N 3 0 356.511 -0.007 20 0 FBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219839044 845016480 /nfs/dbraw/zinc/01/64/80/845016480.db2.gz XJDMXEHXFBBKSH-HLLBOEOZSA-N 2 0 356.467 -0.869 20 0 FBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219839045 845016256 /nfs/dbraw/zinc/01/62/56/845016256.db2.gz XJDMXEHXFBBKSH-VYDXJSESSA-N 2 0 356.467 -0.869 20 0 FBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219839046 845016772 /nfs/dbraw/zinc/01/67/72/845016772.db2.gz XJDMXEHXFBBKSH-YQQAZPJKSA-N 2 0 356.467 -0.869 20 0 FBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219839047 845016404 /nfs/dbraw/zinc/01/64/04/845016404.db2.gz XJDMXEHXFBBKSH-ZOBUZTSGSA-N 2 0 356.467 -0.869 20 0 FBADRP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@@H]1O)[NH+](C)C ZINC001219841875 845018811 /nfs/dbraw/zinc/01/88/11/845018811.db2.gz BJHSZNQBJONLJP-VYDXJSESSA-N 2 0 350.463 -0.367 20 0 FBADRP O=C(N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001219847672 845022382 /nfs/dbraw/zinc/02/23/82/845022382.db2.gz OPYXTVRSBWLTNG-XDQVBPFNSA-N 2 0 357.476 -0.964 20 0 FBADRP O=C(N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001219847673 845022760 /nfs/dbraw/zinc/02/27/60/845022760.db2.gz OPYXTVRSBWLTNG-ZOBORPQBSA-N 2 0 357.476 -0.964 20 0 FBADRP [NH3+][C@@H](CCCCNC(=O)C(F)(F)F)C(=O)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001219848330 845021903 /nfs/dbraw/zinc/02/19/03/845021903.db2.gz XHGLMOSEUKCPCD-FIQHERPVSA-N 2 0 366.384 -0.202 20 0 FBADRP O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)c1nc2c(s1)C[NH2+]CC2 ZINC001219848407 845021791 /nfs/dbraw/zinc/02/17/91/845021791.db2.gz YNHMQXROPZQSFU-BDJLRTHQSA-N 2 0 352.460 -0.086 20 0 FBADRP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)c1nc2c(s1)C[NH2+]CC2 ZINC001219848408 845022303 /nfs/dbraw/zinc/02/23/03/845022303.db2.gz YNHMQXROPZQSFU-BZNIZROVSA-N 2 0 352.460 -0.086 20 0 FBADRP O=C(NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2)c1nc2c(s1)C[NH2+]CC2 ZINC001219848409 845021977 /nfs/dbraw/zinc/02/19/77/845021977.db2.gz YNHMQXROPZQSFU-MEDUHNTESA-N 2 0 352.460 -0.086 20 0 FBADRP O=C(NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2)c1nc2c(s1)C[NH2+]CC2 ZINC001219848411 845022283 /nfs/dbraw/zinc/02/22/83/845022283.db2.gz YNHMQXROPZQSFU-ZBEGNZNMSA-N 2 0 352.460 -0.086 20 0 FBADRP C[N@@H+]1C[C@H](C(=O)NC[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)OC2(CC[NH2+]CC2)C1 ZINC001219849676 845023909 /nfs/dbraw/zinc/02/39/09/845023909.db2.gz FDDFWNNPWAMVQH-CAOSSQGBSA-N 3 0 352.479 -0.820 20 0 FBADRP C[N@@H+]1C[C@@H](C(=O)NC[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)OC2(CC[NH2+]CC2)C1 ZINC001219849677 845024051 /nfs/dbraw/zinc/02/40/51/845024051.db2.gz FDDFWNNPWAMVQH-JONQDZQNSA-N 3 0 352.479 -0.820 20 0 FBADRP O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001219850177 845024210 /nfs/dbraw/zinc/02/42/10/845024210.db2.gz MYYAWAOQYRMCOQ-BYNSBNAKSA-N 2 0 371.503 -0.859 20 0 FBADRP O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001219850178 845024081 /nfs/dbraw/zinc/02/40/81/845024081.db2.gz MYYAWAOQYRMCOQ-ZQDZILKHSA-N 2 0 371.503 -0.859 20 0 FBADRP O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1csc(N2CC[NH2+]CC2)n1 ZINC001219851835 845025056 /nfs/dbraw/zinc/02/50/56/845025056.db2.gz GSZTTZUNUJMZCJ-SGMGOOAPSA-N 2 0 351.476 -0.093 20 0 FBADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)NC[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)COC1(C)C ZINC001219852054 845025689 /nfs/dbraw/zinc/02/56/89/845025689.db2.gz KOAPJWRXWXGVBL-HTVCTNPSSA-N 2 0 354.451 -0.962 20 0 FBADRP [NH3+][C@@H](C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)C1CCC2(CC1)OCCO2 ZINC001219852060 845025180 /nfs/dbraw/zinc/02/51/80/845025180.db2.gz KPYSINJYBPZVHD-CAOSSQGBSA-N 2 0 353.463 -0.012 20 0 FBADRP [NH3+][C@H](C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)C1CCC2(CC1)OCCO2 ZINC001219852062 845025415 /nfs/dbraw/zinc/02/54/15/845025415.db2.gz KPYSINJYBPZVHD-JONQDZQNSA-N 2 0 353.463 -0.012 20 0 FBADRP O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1 ZINC001219852556 845025704 /nfs/dbraw/zinc/02/57/04/845025704.db2.gz UPAHGSWLYFWNHH-UVPYHEFZSA-N 2 0 350.463 -0.530 20 0 FBADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219854797 845026998 /nfs/dbraw/zinc/02/69/98/845026998.db2.gz VWAKHMPTGFHMIX-OLMNGRFOSA-N 2 0 354.495 -0.006 20 0 FBADRP [NH3+][C@@H](CCCCNC(=O)C(F)(F)F)C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219856568 845026489 /nfs/dbraw/zinc/02/64/89/845026489.db2.gz RYEDKFFHQTWUAA-VPOLOUISSA-N 2 0 352.357 -0.735 20 0 FBADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219856586 845027210 /nfs/dbraw/zinc/02/72/10/845027210.db2.gz SNSYSTBIHHDFKN-HGPDSQILSA-N 2 0 372.535 -0.299 20 0 FBADRP Cc1ccc(S(=O)(=O)n2cnc(C[C@@H]([NH3+])C(=O)NCC[NH3+])c2)cc1 ZINC001219867598 845033524 /nfs/dbraw/zinc/03/35/24/845033524.db2.gz MIPDWJDFGLKHKG-CQSZACIVSA-N 2 0 351.432 -0.627 20 0 FBADRP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCCCCn2cncn2)C[C@@H]1O)[NH+](C)C ZINC001219869693 845032738 /nfs/dbraw/zinc/03/27/38/845032738.db2.gz RFTYSGDFGQVHKN-OAGGEKHMSA-N 2 0 352.483 -0.050 20 0 FBADRP COCCCC[N@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001219877329 845036333 /nfs/dbraw/zinc/03/63/33/845036333.db2.gz AMYHVQDVAYOLDL-CVEARBPZSA-N 2 0 357.495 -0.067 20 0 FBADRP CCOCCC[N@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001219877400 845035958 /nfs/dbraw/zinc/03/59/58/845035958.db2.gz DIUQVTYLRZUQKI-CVEARBPZSA-N 2 0 357.495 -0.067 20 0 FBADRP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@@H]1O ZINC001219877694 845037530 /nfs/dbraw/zinc/03/75/30/845037530.db2.gz OPIXJUFFXHTJOG-OAGGEKHMSA-N 2 0 355.479 -0.457 20 0 FBADRP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001219877695 845037945 /nfs/dbraw/zinc/03/79/45/845037945.db2.gz OPIXJUFFXHTJOG-XHSDSOJGSA-N 2 0 355.479 -0.457 20 0 FBADRP C[C@@H](O)CCC[N@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001219877879 845038237 /nfs/dbraw/zinc/03/82/37/845038237.db2.gz TZQMWAOECXOIAW-OAGGEKHMSA-N 2 0 357.495 -0.333 20 0 FBADRP C[C@H](O)CCC[N@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001219877880 845037274 /nfs/dbraw/zinc/03/72/74/845037274.db2.gz TZQMWAOECXOIAW-XHSDSOJGSA-N 2 0 357.495 -0.333 20 0 FBADRP CC[C@H](C[N@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](O)C1)OC ZINC001219878041 845038312 /nfs/dbraw/zinc/03/83/12/845038312.db2.gz XPPSQARMGPYSCH-OAGGEKHMSA-N 2 0 357.495 -0.069 20 0 FBADRP CC[C@@H](C[N@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](O)C1)OC ZINC001219878042 845038015 /nfs/dbraw/zinc/03/80/15/845038015.db2.gz XPPSQARMGPYSCH-XHSDSOJGSA-N 2 0 357.495 -0.069 20 0 FBADRP CC(C)OCC[N@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001219878057 845037464 /nfs/dbraw/zinc/03/74/64/845037464.db2.gz YFTDDCYVRDDHFM-CVEARBPZSA-N 2 0 357.495 -0.069 20 0 FBADRP CC(C)OC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001219880397 845038892 /nfs/dbraw/zinc/03/88/92/845038892.db2.gz AMWVOWVXWNGGTI-IHRRRGAJSA-N 2 0 356.467 -0.110 20 0 FBADRP CCOC(=O)CC(=N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001219882421 845039797 /nfs/dbraw/zinc/03/97/97/845039797.db2.gz GTPRSZYTTDNZCK-RYUDHWBXSA-N 2 0 355.439 -0.520 20 0 FBADRP Cn1cc(Br)cc(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)c1=O ZINC001219882626 845039656 /nfs/dbraw/zinc/03/96/56/845039656.db2.gz KVFAEDLVMURPMZ-LLVKDONJSA-N 2 0 372.267 -0.163 20 0 FBADRP Cn1cc(Br)cc(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)c1=O ZINC001219882627 845039895 /nfs/dbraw/zinc/03/98/95/845039895.db2.gz KVFAEDLVMURPMZ-NSHDSACASA-N 2 0 372.267 -0.163 20 0 FBADRP COC(=O)[C@H](NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)c1ccc(O)cc1 ZINC001219885798 845041028 /nfs/dbraw/zinc/04/10/28/845041028.db2.gz WTXSZFMHNZPQJA-HUUCEWRRSA-N 2 0 350.419 -0.527 20 0 FBADRP COC(=O)[C@H](NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)c1ccc(O)cc1 ZINC001219885799 845040566 /nfs/dbraw/zinc/04/05/66/845040566.db2.gz WTXSZFMHNZPQJA-LSDHHAIUSA-N 2 0 350.419 -0.527 20 0 FBADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@@H](O)COCC(C)C)C[C@@H]1O ZINC001219896883 845049311 /nfs/dbraw/zinc/04/93/11/845049311.db2.gz NSEBMASLGZQCCS-OAGGEKHMSA-N 2 0 359.511 -0.089 20 0 FBADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@H](O)COCC(C)C)C[C@@H]1O ZINC001219896884 845049232 /nfs/dbraw/zinc/04/92/32/845049232.db2.gz NSEBMASLGZQCCS-XHSDSOJGSA-N 2 0 359.511 -0.089 20 0 FBADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@@H](O)Cn2cccn2)C[C@@H]1O ZINC001219896937 845048909 /nfs/dbraw/zinc/04/89/09/845048909.db2.gz PKACCYHTWIZIJB-KFWWJZLASA-N 2 0 353.467 -0.864 20 0 FBADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@H](O)Cn2cccn2)C[C@@H]1O ZINC001219896938 845049111 /nfs/dbraw/zinc/04/91/11/845049111.db2.gz PKACCYHTWIZIJB-ZNMIVQPWSA-N 2 0 353.467 -0.864 20 0 FBADRP COCCn1c(=O)ccc2c1CC[C@@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C2 ZINC001219899328 845049944 /nfs/dbraw/zinc/04/99/44/845049944.db2.gz USRWFPSBGCRBCL-CABCVRRESA-N 2 0 350.463 -0.076 20 0 FBADRP COCCn1c(=O)ccc2c1CC[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C2 ZINC001219899329 845049152 /nfs/dbraw/zinc/04/91/52/845049152.db2.gz USRWFPSBGCRBCL-GJZGRUSLSA-N 2 0 350.463 -0.076 20 0 FBADRP COCCn1c(=O)ccc2c1CC[C@H](NC(=O)[C@@H]([NH3+])CSCC[NH3+])C2 ZINC001219899366 845052034 /nfs/dbraw/zinc/05/20/34/845052034.db2.gz VPWSHGCJQXADIQ-KBPBESRZSA-N 2 0 368.503 -0.513 20 0 FBADRP COCCn1c(=O)ccc2c1CC[C@@H](NC(=O)[C@@H]([NH3+])CSCC[NH3+])C2 ZINC001219899367 845051606 /nfs/dbraw/zinc/05/16/06/845051606.db2.gz VPWSHGCJQXADIQ-KGLIPLIRSA-N 2 0 368.503 -0.513 20 0 FBADRP CN1C(=O)CCC12CCC(NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)CC2 ZINC001219899601 845051930 /nfs/dbraw/zinc/05/19/30/845051930.db2.gz ZHFYYKPIPSEECH-CSLYMUCUSA-N 2 0 351.495 -0.213 20 0 FBADRP CN1C(=O)CCC12CCC(NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)CC2 ZINC001219899602 845050732 /nfs/dbraw/zinc/05/07/32/845050732.db2.gz ZHFYYKPIPSEECH-SWKXRBFHSA-N 2 0 351.495 -0.213 20 0 FBADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@H]2CCc3ncnn32)C[C@@H]1O ZINC001219902675 845051539 /nfs/dbraw/zinc/05/15/39/845051539.db2.gz GUTPNBJXNAWHQJ-MCIONIFRSA-N 2 0 350.467 -0.343 20 0 FBADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@@H]2CCc3ncnn32)C[C@@H]1O ZINC001219902677 845050787 /nfs/dbraw/zinc/05/07/87/845050787.db2.gz GUTPNBJXNAWHQJ-MJBXVCDLSA-N 2 0 350.467 -0.343 20 0 FBADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@H]2CCNC(=O)CC2)C[C@@H]1O ZINC001219902810 845050944 /nfs/dbraw/zinc/05/09/44/845050944.db2.gz KKABAXZGPZTLNA-KFWWJZLASA-N 2 0 354.495 -0.206 20 0 FBADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@@H]2CCNC(=O)CC2)C[C@@H]1O ZINC001219902811 845051813 /nfs/dbraw/zinc/05/18/13/845051813.db2.gz KKABAXZGPZTLNA-ZNMIVQPWSA-N 2 0 354.495 -0.206 20 0 FBADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](Cc2ccn(C)c(=O)c2)C[C@@H]1O ZINC001219906822 845053943 /nfs/dbraw/zinc/05/39/43/845053943.db2.gz ZEDGUZMUTCULNR-CABCVRRESA-N 2 0 350.463 -0.223 20 0 FBADRP COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](O)C1 ZINC001219910771 845055039 /nfs/dbraw/zinc/05/50/39/845055039.db2.gz RKVYFDROOXQNDY-OAGGEKHMSA-N 2 0 352.435 -0.924 20 0 FBADRP [NH3+][C@H](CSCNC(=O)Cc1ccccc1)C(=O)NCC[NH2+]CCO ZINC001219919007 845056505 /nfs/dbraw/zinc/05/65/05/845056505.db2.gz VMHBOEDARCPYHH-CQSZACIVSA-N 2 0 354.476 -0.939 20 0 FBADRP CN(CCC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)c1cc[nH+]cc1 ZINC001219919569 845056888 /nfs/dbraw/zinc/05/68/88/845056888.db2.gz CYHQCBJUWRKZES-CVEARBPZSA-N 2 0 352.435 -0.922 20 0 FBADRP COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](O)C1 ZINC001219919874 845056044 /nfs/dbraw/zinc/05/60/44/845056044.db2.gz RKVYFDROOXQNDY-XHSDSOJGSA-N 2 0 352.435 -0.924 20 0 FBADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)NCCCCC[NH+](C)C ZINC001219920968 845056153 /nfs/dbraw/zinc/05/61/53/845056153.db2.gz NPZWADJFFNXBLW-KBPBESRZSA-N 2 0 355.483 -0.711 20 0 FBADRP COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@@H](O)C1 ZINC001219922685 845056444 /nfs/dbraw/zinc/05/64/44/845056444.db2.gz BEJURJXWKZLSEI-OAGGEKHMSA-N 2 0 357.495 -0.192 20 0 FBADRP COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@@H](O)C1 ZINC001219922686 845057825 /nfs/dbraw/zinc/05/78/25/845057825.db2.gz BEJURJXWKZLSEI-XHSDSOJGSA-N 2 0 357.495 -0.192 20 0 FBADRP CS(=O)(=O)N(CC[NH3+])CC(=O)NCc1cccnc1C1CC[NH2+]CC1 ZINC001219931718 845063868 /nfs/dbraw/zinc/06/38/68/845063868.db2.gz XKECWKIQICUZJQ-UHFFFAOYSA-N 2 0 369.491 -0.615 20 0 FBADRP Cc1nccn1CCNC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001219934772 845065736 /nfs/dbraw/zinc/06/57/36/845065736.db2.gz MHARLAFUMIWOLY-GJZGRUSLSA-N 2 0 350.467 -0.245 20 0 FBADRP CS(=O)(=O)N(C(=O)CN1CCCC[C@H]([NH3+])C1=O)c1ccc(C[NH3+])cc1 ZINC001219938827 845066880 /nfs/dbraw/zinc/06/68/80/845066880.db2.gz GKVSLFPEZDALTO-AWEZNQCLSA-N 2 0 368.459 -0.222 20 0 FBADRP CS(=O)(=O)N(C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2)c1ccc(C[NH3+])cc1 ZINC001219939051 845067320 /nfs/dbraw/zinc/06/73/20/845067320.db2.gz PPKRWOXLFHFYAJ-CZUORRHYSA-N 3 0 352.460 -0.363 20 0 FBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N(c1ccc(C[NH3+])cc1)S(C)(=O)=O ZINC001219939104 845067160 /nfs/dbraw/zinc/06/71/60/845067160.db2.gz RDQNSJPUEOQGIO-NHYWBVRUSA-N 2 0 370.475 -0.073 20 0 FBADRP CS(=O)(=O)N(C(=O)[C@@H]1CCCN1C(=O)C[NH3+])c1ccc(C[NH3+])cc1 ZINC001219939122 845066847 /nfs/dbraw/zinc/06/68/47/845066847.db2.gz SBJNQCZWCUFOJU-ZDUSSCGKSA-N 2 0 354.432 -0.612 20 0 FBADRP CS(=O)(=O)N(C(=O)[C@@H](N)CN1CCC([NH3+])CC1)c1ccc(C[NH3+])cc1 ZINC001219939197 845067397 /nfs/dbraw/zinc/06/73/97/845067397.db2.gz VOODQMCYFQCELI-HNNXBMFYSA-N 2 0 369.491 -0.812 20 0 FBADRP CS(=O)(=O)N(C(=O)[C@H](N)CN1CCC([NH3+])CC1)c1ccc(C[NH3+])cc1 ZINC001219939198 845066903 /nfs/dbraw/zinc/06/69/03/845066903.db2.gz VOODQMCYFQCELI-OAHLLOKOSA-N 2 0 369.491 -0.812 20 0 FBADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N(c1ccc(C[NH3+])cc1)S(C)(=O)=O ZINC001219939285 845067367 /nfs/dbraw/zinc/06/73/67/845067367.db2.gz YXWQCHRWHRHOAR-AWEZNQCLSA-N 2 0 370.475 -0.073 20 0 FBADRP Cc1c[nH]c(CCNC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])n1 ZINC001219952281 845072007 /nfs/dbraw/zinc/07/20/07/845072007.db2.gz QYSVXZHDDJUYIS-KBPBESRZSA-N 2 0 350.467 -0.176 20 0 FBADRP CCn1c(N)c(NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C)c(=O)n(CC)c1=O ZINC001219971803 845082696 /nfs/dbraw/zinc/08/26/96/845082696.db2.gz BQZGKIYQYIIKPU-NSHDSACASA-N 2 0 354.455 -0.370 20 0 FBADRP COC(=O)C1(NC(=O)[C@H]2CCC[N@@H+](C3CC[NH2+]CC3)C2)CC[NH2+]CC1 ZINC001219999100 845091628 /nfs/dbraw/zinc/09/16/28/845091628.db2.gz KEHLBIDWGXNULZ-AWEZNQCLSA-N 3 0 352.479 -0.138 20 0 FBADRP COC(=O)C1(NC(=O)[C@@H]2CCC[N@@H+](C3CC[NH2+]CC3)C2)CC[NH2+]CC1 ZINC001219999101 845091212 /nfs/dbraw/zinc/09/12/12/845091212.db2.gz KEHLBIDWGXNULZ-CQSZACIVSA-N 3 0 352.479 -0.138 20 0 FBADRP COC(=O)C1(NC(=O)[C@@H]([NH3+])CC(=O)OC2CCCCC2)CC[NH2+]CC1 ZINC001219999458 845091646 /nfs/dbraw/zinc/09/16/46/845091646.db2.gz UKRVYVHHTKVTPC-ZDUSSCGKSA-N 2 0 355.435 -0.009 20 0 FBADRP COC(=O)C1(NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCC[NH2+]2)CC[NH2+]CC1 ZINC001220001254 845092475 /nfs/dbraw/zinc/09/24/75/845092475.db2.gz NOBMFHUBKZHWTD-STQMWFEESA-N 2 0 352.435 -0.859 20 0 FBADRP COC(=O)C1(NC(=O)[C@H]([NH3+])C2CCC3(CC2)OCCO3)CC[NH2+]CC1 ZINC001220001787 845092815 /nfs/dbraw/zinc/09/28/15/845092815.db2.gz XGWOJTCDJIVAQA-CYBMUJFWSA-N 2 0 355.435 -0.342 20 0 FBADRP COC(=O)C1(NC(=O)[C@@H]([NH3+])C2CCC3(CC2)OCCO3)CC[NH2+]CC1 ZINC001220001788 845092631 /nfs/dbraw/zinc/09/26/31/845092631.db2.gz XGWOJTCDJIVAQA-ZDUSSCGKSA-N 2 0 355.435 -0.342 20 0 FBADRP COC(=O)C1(NC(=O)c2csc(N3CC[NH2+]CC3)n2)CC[NH2+]CC1 ZINC001220001789 845092984 /nfs/dbraw/zinc/09/29/84/845092984.db2.gz XHABQOSWOUQFMK-UHFFFAOYSA-N 2 0 353.448 -0.422 20 0 FBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NC1(CO)CCOCC1 ZINC001220018631 845100452 /nfs/dbraw/zinc/10/04/52/845100452.db2.gz LLGNCPAGBHUDKU-KBPBESRZSA-N 2 0 356.467 -0.909 20 0 FBADRP CC(C)[C@](C)(NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+])C(N)=O ZINC001220023294 845102126 /nfs/dbraw/zinc/10/21/26/845102126.db2.gz ULUBGRMKGYJCDW-DCGLDWPTSA-N 2 0 355.483 -0.550 20 0 FBADRP CC(C)[C@@](C)(NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+])C(N)=O ZINC001220023295 845102110 /nfs/dbraw/zinc/10/21/10/845102110.db2.gz ULUBGRMKGYJCDW-GDZNZVCISA-N 2 0 355.483 -0.550 20 0 FBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)n1c(=N)sc2c1CC[C@H]([NH3+])C2 ZINC001220025163 845103534 /nfs/dbraw/zinc/10/35/34/845103534.db2.gz INOZROHDRINYOL-UWVGGRQHSA-N 2 0 369.491 -0.256 20 0 FBADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)n2c(=N)sc3c2CC[C@H]([NH3+])C3)COC1(C)C ZINC001220025193 845103467 /nfs/dbraw/zinc/10/34/67/845103467.db2.gz JRIGSYHICWGSLD-QXEWZRGKSA-N 2 0 367.475 -0.204 20 0 FBADRP CCOCCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220033519 845104563 /nfs/dbraw/zinc/10/45/63/845104563.db2.gz FPVRDFKHEGCRFL-OWQJAQGESA-N 2 0 353.463 -0.563 20 0 FBADRP CCOCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220033520 845104648 /nfs/dbraw/zinc/10/46/48/845104648.db2.gz FPVRDFKHEGCRFL-PLQZLIEUSA-N 2 0 353.463 -0.563 20 0 FBADRP CC(C)OCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220034020 845104231 /nfs/dbraw/zinc/10/42/31/845104231.db2.gz MADIWQZPZFPAQY-OWQJAQGESA-N 2 0 353.463 -0.564 20 0 FBADRP CC(C)OCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220034021 845104595 /nfs/dbraw/zinc/10/45/95/845104595.db2.gz MADIWQZPZFPAQY-PLQZLIEUSA-N 2 0 353.463 -0.564 20 0 FBADRP COCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220034534 845106351 /nfs/dbraw/zinc/10/63/51/845106351.db2.gz SLMKEMPULUNPKL-OWQJAQGESA-N 2 0 353.463 -0.563 20 0 FBADRP COCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220034535 845105780 /nfs/dbraw/zinc/10/57/80/845105780.db2.gz SLMKEMPULUNPKL-PLQZLIEUSA-N 2 0 353.463 -0.563 20 0 FBADRP CC(C)(C)OC(=O)C1(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CCC([NH3+])CC1 ZINC001220039405 845106044 /nfs/dbraw/zinc/10/60/44/845106044.db2.gz CZCUVELCTQRJMU-XYEKJYRLSA-N 3 0 352.479 -0.107 20 0 FBADRP CC(C)(C)OC(=O)C1(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CCC([NH3+])CC1 ZINC001220039406 845105806 /nfs/dbraw/zinc/10/58/06/845105806.db2.gz CZCUVELCTQRJMU-YNAXMUEKSA-N 3 0 352.479 -0.107 20 0 FBADRP COc1ccc(C[C@@H](C)NC(=O)[C@@H]([NH3+])CCC[NH3+])cc1S(N)(=O)=O ZINC001220041219 845107421 /nfs/dbraw/zinc/10/74/21/845107421.db2.gz CPHQGEQXILYRMM-PWSUYJOCSA-N 2 0 358.464 -0.544 20 0 FBADRP COc1ccc(C[C@@H](C)NC(=O)[C@H]([NH3+])CCC[NH3+])cc1S(N)(=O)=O ZINC001220041220 845107518 /nfs/dbraw/zinc/10/75/18/845107518.db2.gz CPHQGEQXILYRMM-ZYHUDNBSSA-N 2 0 358.464 -0.544 20 0 FBADRP COc1ccc(C[C@@H](C)NC(=O)C[NH2+]CCC[NH3+])cc1S(N)(=O)=O ZINC001220041516 845108024 /nfs/dbraw/zinc/10/80/24/845108024.db2.gz PATKRSYVKHCOCV-LLVKDONJSA-N 2 0 358.464 -0.672 20 0 FBADRP CCOC(=O)C(=CNC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)C(=O)OCC ZINC001220041530 845107496 /nfs/dbraw/zinc/10/74/96/845107496.db2.gz PQLHJZQGGQTQBP-CYBMUJFWSA-N 2 0 353.419 -0.013 20 0 FBADRP CCOC(=O)C(=CNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)C(=O)OCC ZINC001220041531 845107194 /nfs/dbraw/zinc/10/71/94/845107194.db2.gz PQLHJZQGGQTQBP-ZDUSSCGKSA-N 2 0 353.419 -0.013 20 0 FBADRP COc1ccc(C[C@@H](C)NC(=O)[C@@H]([NH3+])CCCC[NH3+])cc1S(N)(=O)=O ZINC001220041654 845107171 /nfs/dbraw/zinc/10/71/71/845107171.db2.gz VLNSTHKKWMEQND-YPMHNXCESA-N 2 0 372.491 -0.154 20 0 FBADRP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F ZINC001220043442 845108739 /nfs/dbraw/zinc/10/87/39/845108739.db2.gz RNZHUDUJHLGAEK-JTQLQIEISA-N 2 0 362.356 -0.054 20 0 FBADRP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001220043596 845109275 /nfs/dbraw/zinc/10/92/75/845109275.db2.gz YFAVYOKVKJCSQO-GFCCVEGCSA-N 2 0 353.448 -0.816 20 0 FBADRP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001220043597 845108758 /nfs/dbraw/zinc/10/87/58/845108758.db2.gz YFAVYOKVKJCSQO-LBPRGKRZSA-N 2 0 353.448 -0.816 20 0 FBADRP C[NH2+]CCNC(=O)[C@H]([NH3+])Cc1cn(S(=O)(=O)c2ccc(C)cc2)cn1 ZINC001220051332 845110901 /nfs/dbraw/zinc/11/09/01/845110901.db2.gz VRLKTOGODLOCLU-OAHLLOKOSA-N 2 0 365.459 -0.366 20 0 FBADRP C[NH2+]CCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+] ZINC001220055926 845112011 /nfs/dbraw/zinc/11/20/11/845112011.db2.gz IGYXPEQNLIRMHF-IHRRRGAJSA-N 2 0 355.483 -0.809 20 0 FBADRP CCOC(=O)C(C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220064182 845115064 /nfs/dbraw/zinc/11/50/64/845115064.db2.gz UYSPHWPHQVXBDF-STQMWFEESA-N 2 0 356.467 -0.108 20 0 FBADRP COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@@H](O)C1 ZINC001220072371 845121951 /nfs/dbraw/zinc/12/19/51/845121951.db2.gz SASXDMOJPBZLAM-OAGGEKHMSA-N 2 0 357.495 -0.333 20 0 FBADRP COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@@H](O)C1 ZINC001220072372 845121338 /nfs/dbraw/zinc/12/13/38/845121338.db2.gz SASXDMOJPBZLAM-XHSDSOJGSA-N 2 0 357.495 -0.333 20 0 FBADRP COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220073871 845121132 /nfs/dbraw/zinc/12/11/32/845121132.db2.gz NRMBDCKDORLEFW-BBWFWOEESA-N 2 0 357.495 -0.190 20 0 FBADRP COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220073872 845122304 /nfs/dbraw/zinc/12/23/04/845122304.db2.gz NRMBDCKDORLEFW-ZACQAIPSSA-N 2 0 357.495 -0.190 20 0 FBADRP C[N@H+](CCC(=O)N[C@@H]1C[NH+](CCOCCO)C[C@@H]1O)C1CCCCC1 ZINC001220073965 845121910 /nfs/dbraw/zinc/12/19/10/845121910.db2.gz RJZUMLJYFSCMPQ-SJORKVTESA-N 2 0 357.495 -0.189 20 0 FBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@@H](N)CCCCNC(=O)C(F)(F)F ZINC001220103017 845133700 /nfs/dbraw/zinc/13/37/00/845133700.db2.gz CHCOHAJZBVOIEI-VIFPVBQESA-N 2 0 354.377 -0.377 20 0 FBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)NCC(=O)NCC(=O)OCc1ccccc1 ZINC001220105259 845133804 /nfs/dbraw/zinc/13/38/04/845133804.db2.gz YPXKZRYRCZZBID-AWEZNQCLSA-N 2 0 350.419 -0.582 20 0 FBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NC(=N)SCC[NH3+] ZINC001220106338 845134820 /nfs/dbraw/zinc/13/48/20/845134820.db2.gz KAOXHRUGCCLGES-QWRGUYRKSA-N 2 0 359.496 -0.137 20 0 FBADRP Cc1cnc(=O)[nH]c1NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220122899 845141415 /nfs/dbraw/zinc/14/14/15/845141415.db2.gz ODFXZEHOMJJIPR-RYUDHWBXSA-N 2 0 350.423 -0.124 20 0 FBADRP CS(=O)(=O)[C@H]1C[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001220141632 845147907 /nfs/dbraw/zinc/14/79/07/845147907.db2.gz OUPMNBUWQOCUFN-XUXIUFHCSA-N 2 0 374.507 -0.875 20 0 FBADRP CO[C@@H]1COCC[C@H]1NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220141649 845147864 /nfs/dbraw/zinc/14/78/64/845147864.db2.gz PPXAZUAVMFOHJF-LJISPDSOSA-N 2 0 356.467 -0.646 20 0 FBADRP [NH3+]CC1(NC(=O)[C@H]([NH3+])CSCNC(=O)Cc2ccccc2)COC1 ZINC001220154186 845148772 /nfs/dbraw/zinc/14/87/72/845148772.db2.gz NVLKIBFRWCCQIT-CYBMUJFWSA-N 2 0 352.460 -0.793 20 0 FBADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N[C@H]1CCC[C@@]2(CC[NH2+]C2)C1)C(N)=O ZINC001220162156 845150632 /nfs/dbraw/zinc/15/06/32/845150632.db2.gz IEFDTLYUMDYHKZ-APNQJHFZSA-N 2 0 353.467 -0.878 20 0 FBADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N[C@H]1CCC[C@]2(CC[NH2+]C2)C1)C(N)=O ZINC001220162157 845150594 /nfs/dbraw/zinc/15/05/94/845150594.db2.gz IEFDTLYUMDYHKZ-JRATXPSKSA-N 2 0 353.467 -0.878 20 0 FBADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1)C(N)=O ZINC001220162158 845149813 /nfs/dbraw/zinc/14/98/13/845149813.db2.gz IEFDTLYUMDYHKZ-SFDCBXKLSA-N 2 0 353.467 -0.878 20 0 FBADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1)C(N)=O ZINC001220162159 845150390 /nfs/dbraw/zinc/15/03/90/845150390.db2.gz IEFDTLYUMDYHKZ-ZBYUQBLASA-N 2 0 353.467 -0.878 20 0 FBADRP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](CCCO[C@@H]3CCOC3)C[C@@H]2O)CC1 ZINC001220227176 845169482 /nfs/dbraw/zinc/16/94/82/845169482.db2.gz KOSNRWSFFVHWHI-OAGGEKHMSA-N 2 0 355.479 -0.315 20 0 FBADRP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](CCCO[C@H]3CCOC3)C[C@@H]2O)CC1 ZINC001220227177 845169605 /nfs/dbraw/zinc/16/96/05/845169605.db2.gz KOSNRWSFFVHWHI-XHSDSOJGSA-N 2 0 355.479 -0.315 20 0 FBADRP CC(C)COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220227381 845169369 /nfs/dbraw/zinc/16/93/69/845169369.db2.gz QSZBABBTWUMNQL-OAGGEKHMSA-N 2 0 357.495 -0.477 20 0 FBADRP CC(C)COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220227382 845169288 /nfs/dbraw/zinc/16/92/88/845169288.db2.gz QSZBABBTWUMNQL-XHSDSOJGSA-N 2 0 357.495 -0.477 20 0 FBADRP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](CCCN3CCCC3=O)C[C@@H]2O)CC1 ZINC001220229091 845170592 /nfs/dbraw/zinc/17/05/92/845170592.db2.gz MIEPWRZFRIKXCA-CABCVRRESA-N 2 0 352.479 -0.498 20 0 FBADRP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCNC(=O)CC3)C[C@@H]2O)CC1 ZINC001220230333 845172008 /nfs/dbraw/zinc/17/20/08/845172008.db2.gz BHSFWTTVTWXOGK-KFWWJZLASA-N 2 0 352.479 -0.594 20 0 FBADRP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCNC(=O)CC3)C[C@@H]2O)CC1 ZINC001220230334 845172399 /nfs/dbraw/zinc/17/23/99/845172399.db2.gz BHSFWTTVTWXOGK-ZNMIVQPWSA-N 2 0 352.479 -0.594 20 0 FBADRP CCOC(=O)CC[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2)C(=O)OCC ZINC001220231134 845172050 /nfs/dbraw/zinc/17/20/50/845172050.db2.gz VUXZIKLJUZVDSK-IIYDPXPESA-N 2 0 355.435 -0.423 20 0 FBADRP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COCC(F)(F)F)C[C@@H]1O ZINC001220236677 845173326 /nfs/dbraw/zinc/17/33/26/845173326.db2.gz DHFQHHAEKLDFSS-UPJWGTAASA-N 2 0 371.400 -0.571 20 0 FBADRP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](C[C@H](O)COCC(F)(F)F)C[C@@H]1O ZINC001220236678 845173624 /nfs/dbraw/zinc/17/36/24/845173624.db2.gz DHFQHHAEKLDFSS-XQQFMLRXSA-N 2 0 371.400 -0.571 20 0 FBADRP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](CCCNC(=O)C(F)(F)F)C[C@@H]1O ZINC001220237294 845174759 /nfs/dbraw/zinc/17/47/59/845174759.db2.gz SEKYBGTVGSZRDV-NEPJUHHUSA-N 2 0 368.400 -0.442 20 0 FBADRP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](CCCCCn2cncn2)C[C@@H]1O ZINC001220237910 845174663 /nfs/dbraw/zinc/17/46/63/845174663.db2.gz HOBDXGPRUIRBDF-CVEARBPZSA-N 2 0 352.483 -0.049 20 0 FBADRP CN1C[C@H](CNC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])CC1=O ZINC001220246152 845177120 /nfs/dbraw/zinc/17/71/20/845177120.db2.gz ZTNUCBMVVOIIPA-IHRRRGAJSA-N 2 0 353.467 -0.972 20 0 FBADRP CN1C[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])CC1=O ZINC001220246153 845177749 /nfs/dbraw/zinc/17/77/49/845177749.db2.gz ZTNUCBMVVOIIPA-RDBSUJKOSA-N 2 0 353.467 -0.972 20 0 FBADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)NCC(C)(C)C[NH+](C)C ZINC001220253980 845178407 /nfs/dbraw/zinc/17/84/07/845178407.db2.gz HWABSODNENCZRS-STQMWFEESA-N 2 0 355.483 -0.855 20 0 FBADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)NCC[C@@H]1CCC[N@@H+]1C ZINC001220254184 845178383 /nfs/dbraw/zinc/17/83/83/845178383.db2.gz MCPIEYHYCNTXDG-IHRRRGAJSA-N 2 0 353.467 -0.959 20 0 FBADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)NCC[C@H]1CCC[N@@H+]1C ZINC001220254185 845179322 /nfs/dbraw/zinc/17/93/22/845179322.db2.gz MCPIEYHYCNTXDG-MJBXVCDLSA-N 2 0 353.467 -0.959 20 0 FBADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NCC1CC[NH+](C2CCCCC2)CC1 ZINC001220260978 845180740 /nfs/dbraw/zinc/18/07/40/845180740.db2.gz MSHNNSUSSMQVHJ-BBRMVZONSA-N 2 0 354.495 -0.028 20 0 FBADRP [NH3+]CCC[NH2+]CC(=O)NC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC001220267054 845181281 /nfs/dbraw/zinc/18/12/81/845181281.db2.gz ZHFOEGSXQMSCAB-UHFFFAOYSA-N 2 0 354.476 -0.106 20 0 FBADRP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCCO[C@H]3CCOC3)C[C@@H]2O)CC1 ZINC001220268702 845182024 /nfs/dbraw/zinc/18/20/24/845182024.db2.gz FPKXIKFZSXQSPA-BBWFWOEESA-N 2 0 355.479 -0.315 20 0 FBADRP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCCO[C@@H]3CCOC3)C[C@@H]2O)CC1 ZINC001220268703 845182098 /nfs/dbraw/zinc/18/20/98/845182098.db2.gz FPKXIKFZSXQSPA-ZACQAIPSSA-N 2 0 355.479 -0.315 20 0 FBADRP CC(C)COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220269263 845182943 /nfs/dbraw/zinc/18/29/43/845182943.db2.gz USXMXJQURRUSON-BBWFWOEESA-N 2 0 357.495 -0.477 20 0 FBADRP CC(C)COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220269266 845183110 /nfs/dbraw/zinc/18/31/10/845183110.db2.gz USXMXJQURRUSON-ZACQAIPSSA-N 2 0 357.495 -0.477 20 0 FBADRP CC1(C)OCC(NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])CO1 ZINC001220270984 845182642 /nfs/dbraw/zinc/18/26/42/845182642.db2.gz OMSSIXSGPJWXLC-KBPBESRZSA-N 2 0 356.467 -0.299 20 0 FBADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COCc2cccs2)C[C@@H]1O ZINC001220273790 845184048 /nfs/dbraw/zinc/18/40/48/845184048.db2.gz SKSOLJBEZGWYPH-BMFZPTHFSA-N 2 0 371.503 -0.261 20 0 FBADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)COCc2cccs2)C[C@@H]1O ZINC001220273791 845184418 /nfs/dbraw/zinc/18/44/18/845184418.db2.gz SKSOLJBEZGWYPH-IMJJTQAJSA-N 2 0 371.503 -0.261 20 0 FBADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COCc2ccco2)C[C@@H]1O ZINC001220273799 845184660 /nfs/dbraw/zinc/18/46/60/845184660.db2.gz SUCOWRMBHZAMEF-BMFZPTHFSA-N 2 0 355.435 -0.730 20 0 FBADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)COCc2ccco2)C[C@@H]1O ZINC001220273800 845184430 /nfs/dbraw/zinc/18/44/30/845184430.db2.gz SUCOWRMBHZAMEF-IMJJTQAJSA-N 2 0 355.435 -0.730 20 0 FBADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCCNC(=O)C(F)(F)F)C[C@@H]1O ZINC001220275316 845185651 /nfs/dbraw/zinc/18/56/51/845185651.db2.gz UCMFVTGDQWNRJY-MNOVXSKESA-N 2 0 354.373 -0.832 20 0 FBADRP Cn1cc(CCNC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])cn1 ZINC001220276981 845185484 /nfs/dbraw/zinc/18/54/84/845185484.db2.gz VVMZWLLBZLJCHI-GJZGRUSLSA-N 2 0 350.467 -0.474 20 0 FBADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)COCC(F)(F)F)C[C@@H]1O ZINC001220277034 845185747 /nfs/dbraw/zinc/18/57/47/845185747.db2.gz POIIINUDKRUUDW-TUAOUCFPSA-N 2 0 357.373 -0.961 20 0 FBADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COCC(F)(F)F)C[C@@H]1O ZINC001220277035 845186467 /nfs/dbraw/zinc/18/64/67/845186467.db2.gz POIIINUDKRUUDW-UTUOFQBUSA-N 2 0 357.373 -0.961 20 0 FBADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cc2ccc(F)cc2)C[C@@H]1O ZINC001220277276 845187349 /nfs/dbraw/zinc/18/73/49/845187349.db2.gz UTHZHQGCLYFKHB-BBWFWOEESA-N 2 0 353.438 -0.158 20 0 FBADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)Cc2ccc(F)cc2)C[C@@H]1O ZINC001220277279 845187080 /nfs/dbraw/zinc/18/70/80/845187080.db2.gz UTHZHQGCLYFKHB-ZACQAIPSSA-N 2 0 353.438 -0.158 20 0 FBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCCNC(=O)c1ccc(F)cc1 ZINC001220287204 845189430 /nfs/dbraw/zinc/18/94/30/845189430.db2.gz YQBKQOZBEUSKJI-HNNXBMFYSA-N 2 0 351.426 -0.578 20 0 FBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCCNC(=O)c1ccc(F)cc1 ZINC001220287205 845190080 /nfs/dbraw/zinc/19/00/80/845190080.db2.gz YQBKQOZBEUSKJI-OAHLLOKOSA-N 2 0 351.426 -0.578 20 0 FBADRP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@@H]1O)[NH+](C)C ZINC001220296917 845191133 /nfs/dbraw/zinc/19/11/33/845191133.db2.gz BJHSZNQBJONLJP-HLLBOEOZSA-N 2 0 350.463 -0.367 20 0 FBADRP C[N@@H+]1CCCN(CCNC(=O)[C@@H]2C[NH2+]CC23CCS(=O)(=O)CC3)CC1 ZINC001220303946 845194263 /nfs/dbraw/zinc/19/42/63/845194263.db2.gz JTTHRBWVBCCJRD-HNNXBMFYSA-N 2 0 372.535 -0.846 20 0 FBADRP C[N@@H+]1CCCN(CCNC(=O)[C@H]2C[NH2+]CC23CCS(=O)(=O)CC3)CC1 ZINC001220303947 845193505 /nfs/dbraw/zinc/19/35/05/845193505.db2.gz JTTHRBWVBCCJRD-OAHLLOKOSA-N 2 0 372.535 -0.846 20 0 FBADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)NCCN2CCC[N@H+](C)CC2)COC1(C)C ZINC001220307122 845193466 /nfs/dbraw/zinc/19/34/66/845193466.db2.gz SFLZWPKMXVUNFM-KBPBESRZSA-N 2 0 355.483 -0.949 20 0 FBADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)NCc1ncn2c1C[NH2+]CCC2 ZINC001220311737 845196393 /nfs/dbraw/zinc/19/63/93/845196393.db2.gz QLUYCZUXYHJLQS-STQMWFEESA-N 2 0 350.467 -0.129 20 0 FBADRP C[N@@H+]1C[C@H](C(=O)N[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)OC2(CC[NH2+]CC2)C1 ZINC001220315105 845196675 /nfs/dbraw/zinc/19/66/75/845196675.db2.gz AACODUBESJSURM-DAYGRLMNSA-N 3 0 352.479 -0.534 20 0 FBADRP C[N@@H+]1C[C@H](C(=O)N[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)OC2(CC[NH2+]CC2)C1 ZINC001220315106 845196696 /nfs/dbraw/zinc/19/66/96/845196696.db2.gz AACODUBESJSURM-HDMKZQKVSA-N 3 0 352.479 -0.534 20 0 FBADRP C[N@@H+]1C[C@H](C(=O)N[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)OC2(CC[NH2+]CC2)C1 ZINC001220315107 845196929 /nfs/dbraw/zinc/19/69/29/845196929.db2.gz AACODUBESJSURM-IIDMSEBBSA-N 3 0 352.479 -0.534 20 0 FBADRP C[N@@H+]1C[C@H](C(=O)N[C@H]2CO[C@]3(C2)CCC[NH2+]C3)OC2(CC[NH2+]CC2)C1 ZINC001220315108 845196487 /nfs/dbraw/zinc/19/64/87/845196487.db2.gz AACODUBESJSURM-RKVPGOIHSA-N 3 0 352.479 -0.534 20 0 FBADRP O=C(N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001220316791 845198065 /nfs/dbraw/zinc/19/80/65/845198065.db2.gz SUUZPKPLVVGORY-GRDNDAEWSA-N 2 0 371.503 -0.572 20 0 FBADRP O=C(N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001220316792 845198038 /nfs/dbraw/zinc/19/80/38/845198038.db2.gz SUUZPKPLVVGORY-JJRVBVJISA-N 2 0 371.503 -0.572 20 0 FBADRP O=C(N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001220316793 845197616 /nfs/dbraw/zinc/19/76/16/845197616.db2.gz SUUZPKPLVVGORY-VBQJREDUSA-N 2 0 371.503 -0.572 20 0 FBADRP O=C(N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001220316796 845197848 /nfs/dbraw/zinc/19/78/48/845197848.db2.gz SUUZPKPLVVGORY-ZQIUZPCESA-N 2 0 371.503 -0.572 20 0 FBADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N[C@H]2CO[C@]3(C2)CCC[NH2+]C3)COC1(C)C ZINC001220320790 845199927 /nfs/dbraw/zinc/19/99/27/845199927.db2.gz PMJATAXHCHDQAH-LKQDWFRTSA-N 2 0 354.451 -0.676 20 0 FBADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)COC1(C)C ZINC001220320791 845200609 /nfs/dbraw/zinc/20/06/09/845200609.db2.gz PMJATAXHCHDQAH-MRHIQRDNSA-N 2 0 354.451 -0.676 20 0 FBADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)COC1(C)C ZINC001220320792 845199897 /nfs/dbraw/zinc/19/98/97/845199897.db2.gz PMJATAXHCHDQAH-NEULZYRMSA-N 2 0 354.451 -0.676 20 0 FBADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)COC1(C)C ZINC001220320793 845200903 /nfs/dbraw/zinc/20/09/03/845200903.db2.gz PMJATAXHCHDQAH-PFHKOEEOSA-N 2 0 354.451 -0.676 20 0 FBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220320806 845199994 /nfs/dbraw/zinc/19/99/94/845199994.db2.gz PWPWIZNNYMAIMC-DCGLDWPTSA-N 2 0 356.467 -0.728 20 0 FBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220320807 845200694 /nfs/dbraw/zinc/20/06/94/845200694.db2.gz PWPWIZNNYMAIMC-GDZNZVCISA-N 2 0 356.467 -0.728 20 0 FBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220320808 845200805 /nfs/dbraw/zinc/20/08/05/845200805.db2.gz PWPWIZNNYMAIMC-IGCXYCKISA-N 2 0 356.467 -0.728 20 0 FBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220320809 845200577 /nfs/dbraw/zinc/20/05/77/845200577.db2.gz PWPWIZNNYMAIMC-IIYDPXPESA-N 2 0 356.467 -0.728 20 0 FBADRP O=C(N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1 ZINC001220320838 845200521 /nfs/dbraw/zinc/20/05/21/845200521.db2.gz QFHXTQWEINRGEP-LDDOYCOJSA-N 2 0 350.463 -0.243 20 0 FBADRP O=C(N[C@H]1CO[C@]2(C1)CCC[NH2+]C2)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1 ZINC001220320839 845200895 /nfs/dbraw/zinc/20/08/95/845200895.db2.gz QFHXTQWEINRGEP-LLDVTBCESA-N 2 0 350.463 -0.243 20 0 FBADRP O=C(N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1 ZINC001220320840 845200566 /nfs/dbraw/zinc/20/05/66/845200566.db2.gz QFHXTQWEINRGEP-XSWJXKHESA-N 2 0 350.463 -0.243 20 0 FBADRP O=C(N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1 ZINC001220320841 845200862 /nfs/dbraw/zinc/20/08/62/845200862.db2.gz QFHXTQWEINRGEP-YRBFXIGRSA-N 2 0 350.463 -0.243 20 0 FBADRP Cn1cc(Br)c(CNC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)n1 ZINC001220334837 845203187 /nfs/dbraw/zinc/20/31/87/845203187.db2.gz DBFREIHPJHDWQH-LLVKDONJSA-N 2 0 359.272 -0.451 20 0 FBADRP Cn1cc(Br)c(CNC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)n1 ZINC001220334840 845204745 /nfs/dbraw/zinc/20/47/45/845204745.db2.gz DBFREIHPJHDWQH-NSHDSACASA-N 2 0 359.272 -0.451 20 0 FBADRP CCOC(=O)C1(NC(=O)[C@H](CC(C)C)NC(=O)C[NH3+])CC[NH+](C)CC1 ZINC001220345814 845208861 /nfs/dbraw/zinc/20/88/61/845208861.db2.gz PLBBGVUKAJLQQP-ZDUSSCGKSA-N 2 0 356.467 -0.380 20 0 FBADRP CCOC(=O)C1(NC(=O)[C@H](CCCC[NH3+])NC(C)=O)CC[NH+](C)CC1 ZINC001220345833 845208645 /nfs/dbraw/zinc/20/86/45/845208645.db2.gz PXVLUFGQMKPPGL-AWEZNQCLSA-N 2 0 356.467 -0.236 20 0 FBADRP CCOC(=O)C1(NC(=O)CN2CCCC[C@H]([NH3+])C2=O)CC[NH+](C)CC1 ZINC001220345918 845208629 /nfs/dbraw/zinc/20/86/29/845208629.db2.gz SSIBYMLJVCSZTK-ZDUSSCGKSA-N 2 0 354.451 -0.530 20 0 FBADRP CCOC(=O)C1(NC(=O)CNC(=O)[C@@H]([NH3+])[C@@H](C)CC)CC[NH+](C)CC1 ZINC001220346138 845208154 /nfs/dbraw/zinc/20/81/54/845208154.db2.gz ZIEUBOUIPJQVQS-JSGCOSHPSA-N 2 0 356.467 -0.380 20 0 FBADRP COC(=O)C[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2)C(=O)OC(C)(C)C ZINC001220379377 845222710 /nfs/dbraw/zinc/22/27/10/845222710.db2.gz RTUAYWMHNKGQQK-BWACUDIHSA-N 2 0 355.435 -0.425 20 0 FBADRP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCCCCn2cncn2)C[C@@H]1O)[NH+](C)C ZINC001220380136 845222660 /nfs/dbraw/zinc/22/26/60/845222660.db2.gz RFTYSGDFGQVHKN-PMPSAXMXSA-N 2 0 352.483 -0.050 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1n[nH]nc1C(=O)NC1CC1 ZINC001220383736 845224347 /nfs/dbraw/zinc/22/43/47/845224347.db2.gz UVNPSDBJPXFAGD-UHFFFAOYSA-N 2 0 352.443 -0.346 20 0 FBADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)NC(C)(C)CC[NH+](C)C ZINC001220386562 845225391 /nfs/dbraw/zinc/22/53/91/845225391.db2.gz ZINXSISCEHOUSD-STQMWFEESA-N 2 0 355.483 -0.713 20 0 FBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)NCc1ccc(N2CCOCC2)nn1 ZINC001220390316 845227735 /nfs/dbraw/zinc/22/77/35/845227735.db2.gz XXALGHKTKUUBDA-HNNXBMFYSA-N 2 0 350.467 -0.011 20 0 FBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1ncc(Br)[nH]c1=O ZINC001220398807 845232088 /nfs/dbraw/zinc/23/20/88/845232088.db2.gz NLYMBHIEXKOPLC-MRVPVSSYSA-N 2 0 359.228 -0.779 20 0 FBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1ncc(Br)[nH]c1=O ZINC001220398808 845231783 /nfs/dbraw/zinc/23/17/83/845231783.db2.gz NLYMBHIEXKOPLC-QMMMGPOBSA-N 2 0 359.228 -0.779 20 0 FBADRP Cn1c(=O)cc(NC(=O)[C@@H]([NH3+])CSCC[NH3+])n(-c2ccccc2)c1=O ZINC001220415472 845234335 /nfs/dbraw/zinc/23/43/35/845234335.db2.gz LTEZZKHYEAIWPR-LBPRGKRZSA-N 2 0 363.443 -0.506 20 0 FBADRP CCCn1c(NC(=O)[C@@H]([NH3+])CSCC[NH3+])cc(=O)n(CCC)c1=O ZINC001220424824 845237406 /nfs/dbraw/zinc/23/74/06/845237406.db2.gz VKNUNYMZJVGGJW-NSHDSACASA-N 2 0 357.480 -0.212 20 0 FBADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001220429631 845241606 /nfs/dbraw/zinc/24/16/06/845241606.db2.gz VTEOHRGTHPNOCS-QLPKVWCKSA-N 2 0 366.487 -0.547 20 0 FBADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001220431249 845242305 /nfs/dbraw/zinc/24/23/05/845242305.db2.gz DBZPTUPWCLEFCI-CRWXNKLISA-N 2 0 360.524 -0.298 20 0 FBADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)NC[C@H]1COCC[NH2+]1 ZINC001220431252 845242383 /nfs/dbraw/zinc/24/23/83/845242383.db2.gz DBZPTUPWCLEFCI-XUXIUFHCSA-N 2 0 360.524 -0.298 20 0 FBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NC[C@H]1COCC[NH2+]1 ZINC001220431633 845243756 /nfs/dbraw/zinc/24/37/56/845243756.db2.gz LMXFWQAVWJSNOH-IHRRRGAJSA-N 2 0 356.467 -0.776 20 0 FBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001220431634 845243498 /nfs/dbraw/zinc/24/34/98/845243498.db2.gz LMXFWQAVWJSNOH-RDBSUJKOSA-N 2 0 356.467 -0.776 20 0 FBADRP [NH3+]CCC[C@H]([NH3+])C(=O)NCc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC001220433580 845243263 /nfs/dbraw/zinc/24/32/63/845243263.db2.gz CLJZGCHADVCDHM-HNNXBMFYSA-N 2 0 370.475 -0.610 20 0 FBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NCc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC001220433581 845243427 /nfs/dbraw/zinc/24/34/27/845243427.db2.gz CLJZGCHADVCDHM-OAHLLOKOSA-N 2 0 370.475 -0.610 20 0 FBADRP [NH3+]CCC[NH2+]CC(=O)NCc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC001220433840 845244204 /nfs/dbraw/zinc/24/42/04/845244204.db2.gz KWBYDOJHEVQFJM-UHFFFAOYSA-N 2 0 370.475 -0.738 20 0 FBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(F)(F)F ZINC001220447718 845249265 /nfs/dbraw/zinc/24/92/65/845249265.db2.gz ODLUJEWKOBIRHA-DCAQKATOSA-N 2 0 354.373 -0.527 20 0 FBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H](CO)C(F)(F)F ZINC001220447723 845249958 /nfs/dbraw/zinc/24/99/58/845249958.db2.gz ODLUJEWKOBIRHA-GARJFASQSA-N 2 0 354.373 -0.527 20 0 FBADRP COC(=O)[C@H](COCc1ccccc1)NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220456101 845251216 /nfs/dbraw/zinc/25/12/16/845251216.db2.gz BUEURUXMBIYSEN-KBPBESRZSA-N 2 0 355.460 -0.120 20 0 FBADRP COCCOc1ccc(CNC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)cn1 ZINC001220458247 845254378 /nfs/dbraw/zinc/25/43/78/845254378.db2.gz LIWKNOKMFSJGGD-HNNXBMFYSA-N 2 0 351.451 -0.527 20 0 FBADRP COCCOc1ccc(CNC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)cn1 ZINC001220458248 845253503 /nfs/dbraw/zinc/25/35/03/845253503.db2.gz LIWKNOKMFSJGGD-OAHLLOKOSA-N 2 0 351.451 -0.527 20 0 FBADRP NC(=[NH2+])N(C(=O)[C@@H](N)CSCC[NH3+])c1ccc(N2CCOCC2)cc1 ZINC001220460267 845254862 /nfs/dbraw/zinc/25/48/62/845254862.db2.gz GTZACUWYEBYJJJ-AWEZNQCLSA-N 2 0 366.491 -0.231 20 0 FBADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)NC[C@H]1O[C@H](C(C)C)O[C@@H]1C[NH3+] ZINC001220481404 845264720 /nfs/dbraw/zinc/26/47/20/845264720.db2.gz GLSCYNDOUTXIDZ-CNUKPYSBSA-N 2 0 358.483 -0.295 20 0 FBADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)NC[C@H]1O[C@@H](C(C)C)O[C@@H]1C[NH3+] ZINC001220481405 845264816 /nfs/dbraw/zinc/26/48/16/845264816.db2.gz GLSCYNDOUTXIDZ-REVBEMBVSA-N 2 0 358.483 -0.295 20 0 FBADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@H]2CCCN([C@@H]3CC[NH2+]C3)C2)O1 ZINC001220481681 845265485 /nfs/dbraw/zinc/26/54/85/845265485.db2.gz NKBKDQKYDUYWJZ-CWIFOLKKSA-N 2 0 354.495 -0.099 20 0 FBADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H]2CCCN([C@H]3CC[NH2+]C3)C2)O1 ZINC001220481682 845264690 /nfs/dbraw/zinc/26/46/90/845264690.db2.gz NKBKDQKYDUYWJZ-ORDFZIBCSA-N 2 0 354.495 -0.099 20 0 FBADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H]2CCCN([C@@H]3CC[NH2+]C3)C2)O1 ZINC001220481683 845265632 /nfs/dbraw/zinc/26/56/32/845265632.db2.gz NKBKDQKYDUYWJZ-XSDHEKCYSA-N 2 0 354.495 -0.099 20 0 FBADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@H]2CCCN([C@H]3CC[NH2+]C3)C2)O1 ZINC001220481684 845265643 /nfs/dbraw/zinc/26/56/43/845265643.db2.gz NKBKDQKYDUYWJZ-ZNFSNMQZSA-N 2 0 354.495 -0.099 20 0 FBADRP C[C@@H]([NH3+])C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001220505458 845273463 /nfs/dbraw/zinc/27/34/63/845273463.db2.gz CPLPRVPORCETSW-JMACTJGESA-N 3 0 360.499 -0.371 20 0 FBADRP C[C@@H]([NH3+])C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001220505459 845273368 /nfs/dbraw/zinc/27/33/68/845273368.db2.gz CPLPRVPORCETSW-KROPCVFLSA-N 3 0 360.499 -0.371 20 0 FBADRP C[C@@H]([NH3+])C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001220505460 845272703 /nfs/dbraw/zinc/27/27/03/845272703.db2.gz CPLPRVPORCETSW-SGIWDBDZSA-N 3 0 360.499 -0.371 20 0 FBADRP C[C@@H]([NH3+])C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001220505461 845272488 /nfs/dbraw/zinc/27/24/88/845272488.db2.gz CPLPRVPORCETSW-XHTZBMAASA-N 3 0 360.499 -0.371 20 0 FBADRP C=C(N)C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001220507196 845274556 /nfs/dbraw/zinc/27/45/56/845274556.db2.gz UFPKWMFPUGYNPG-IICXDKKESA-N 2 0 358.483 -0.246 20 0 FBADRP C=C(N)C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001220507197 845274250 /nfs/dbraw/zinc/27/42/50/845274250.db2.gz UFPKWMFPUGYNPG-RDUHTLEXSA-N 2 0 358.483 -0.246 20 0 FBADRP C=C(N)C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001220507198 845275145 /nfs/dbraw/zinc/27/51/45/845275145.db2.gz UFPKWMFPUGYNPG-UNPMEBSKSA-N 2 0 358.483 -0.246 20 0 FBADRP C=C(N)C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001220507199 845274038 /nfs/dbraw/zinc/27/40/38/845274038.db2.gz UFPKWMFPUGYNPG-YOPIWALVSA-N 2 0 358.483 -0.246 20 0 FBADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001220511475 845276149 /nfs/dbraw/zinc/27/61/49/845276149.db2.gz YRRVRSUVCFAVCF-JQWIXIFHSA-N 2 0 355.483 -0.539 20 0 FBADRP COCCOCCOCCOCCNC(=O)[C@@H]([NH3+])CCCC[NH+](C)C ZINC001220512224 845276987 /nfs/dbraw/zinc/27/69/87/845276987.db2.gz IBPOKQIJIRUXBQ-INIZCTEOSA-N 2 0 363.499 -0.142 20 0 FBADRP CN(CC[NH3+])CCNC(=O)[C@@H]([NH3+])CCCCNC(=O)c1ccccn1 ZINC001220516578 845279169 /nfs/dbraw/zinc/27/91/69/845279169.db2.gz YUFLZZIUOOXYGV-AWEZNQCLSA-N 2 0 350.467 -0.684 20 0 FBADRP C[C@@H](O)CCC[N@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001220516854 845279141 /nfs/dbraw/zinc/27/91/41/845279141.db2.gz HZGRZHYPTJALNI-BMFZPTHFSA-N 2 0 353.467 -0.619 20 0 FBADRP C[C@H](O)CCC[N@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001220516855 845279086 /nfs/dbraw/zinc/27/90/86/845279086.db2.gz HZGRZHYPTJALNI-IMJJTQAJSA-N 2 0 353.467 -0.619 20 0 FBADRP CCOCCC[N@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001220517044 845279260 /nfs/dbraw/zinc/27/92/60/845279260.db2.gz SLGMJWKTCGOYPG-CVEARBPZSA-N 2 0 353.467 -0.354 20 0 FBADRP COCCCC[N@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001220517102 845278527 /nfs/dbraw/zinc/27/85/27/845278527.db2.gz WFWFEIZQXHJNFA-CVEARBPZSA-N 2 0 353.467 -0.354 20 0 FBADRP [NH3+]CCOCCOCCNC(=O)[C@@H]1Cn2ccnc2C12CC[NH2+]CC2 ZINC001220517446 845278691 /nfs/dbraw/zinc/27/86/91/845278691.db2.gz LUTXYYSMTREQOQ-AWEZNQCLSA-N 2 0 351.451 -0.758 20 0 FBADRP [NH3+]CCOCCOCCNC(=O)[C@H]1Cn2ccnc2C12CC[NH2+]CC2 ZINC001220517447 845278563 /nfs/dbraw/zinc/27/85/63/845278563.db2.gz LUTXYYSMTREQOQ-CQSZACIVSA-N 2 0 351.451 -0.758 20 0 FBADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)NCCN(C)CC[NH3+] ZINC001220517451 845278402 /nfs/dbraw/zinc/27/84/02/845278402.db2.gz LYMGKZDGUXWRAV-IHRRRGAJSA-N 2 0 361.556 -0.396 20 0 FBADRP CN(CC[NH3+])CCNC(=O)[C@H]([NH3+])CSCNC(=O)Cc1ccccc1 ZINC001220517719 845279119 /nfs/dbraw/zinc/27/91/19/845279119.db2.gz XHZDLJKAHZIFJS-OAHLLOKOSA-N 2 0 367.519 -0.630 20 0 FBADRP CN(CC[NH3+])CCNC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])COC(C)(C)C ZINC001220517733 845278422 /nfs/dbraw/zinc/27/84/22/845278422.db2.gz XUCQDEXAKXNCQE-KBPBESRZSA-N 2 0 357.499 -0.874 20 0 FBADRP [NH3+]CCOCCOCCNC(=O)[C@H](c1ccco1)N1CCC[NH2+]CC1 ZINC001220519184 845278925 /nfs/dbraw/zinc/27/89/25/845278925.db2.gz FOYIGGNWYAIKPL-INIZCTEOSA-N 2 0 354.451 -0.276 20 0 FBADRP [NH3+]CCOCCOCCNC(=O)[C@@H](c1ccco1)N1CCC[NH2+]CC1 ZINC001220519185 845278834 /nfs/dbraw/zinc/27/88/34/845278834.db2.gz FOYIGGNWYAIKPL-MRXNPFEDSA-N 2 0 354.451 -0.276 20 0 FBADRP [NH3+]CCOCCOCCNC(=O)[C@@H]([NH3+])CC(=O)OCc1ccccc1 ZINC001220519536 845278860 /nfs/dbraw/zinc/27/88/60/845278860.db2.gz RHFZTPFBMSXLTG-HNNXBMFYSA-N 2 0 353.419 -0.445 20 0 FBADRP CC(C)([NH3+])[C@@H](NCc1ccccc1)C(=O)NCCOCCOCC[NH3+] ZINC001220519553 845279331 /nfs/dbraw/zinc/27/93/31/845279331.db2.gz RZPAXFDMMIXDFO-INIZCTEOSA-N 2 0 352.479 -0.010 20 0 FBADRP CC(C)([NH3+])[C@H](NCc1ccccc1)C(=O)NCCOCCOCC[NH3+] ZINC001220519554 845279345 /nfs/dbraw/zinc/27/93/45/845279345.db2.gz RZPAXFDMMIXDFO-MRXNPFEDSA-N 2 0 352.479 -0.010 20 0 FBADRP [NH3+]CCOCCOCCNC(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F ZINC001220519693 845279046 /nfs/dbraw/zinc/27/90/46/845279046.db2.gz YHOVRUHXAQOCBC-NSHDSACASA-N 2 0 372.388 -0.729 20 0 FBADRP [NH3+]CCOCCOCCNC(=O)c1cccc(CN2CC[NH2+]CC2)c1 ZINC001220521696 845280701 /nfs/dbraw/zinc/28/07/01/845280701.db2.gz LNOOZWPIAZYFPW-UHFFFAOYSA-N 2 0 350.463 -0.187 20 0 FBADRP CCOC(=O)C1=C(NC(=O)[C@H]2CNC(=O)C23CC[NH2+]CC3)CC[NH2+]C1 ZINC001220521729 845280983 /nfs/dbraw/zinc/28/09/83/845280983.db2.gz MLYFZHLTVWYVJZ-GFCCVEGCSA-N 2 0 350.419 -0.971 20 0 FBADRP CCOC(=O)C1=C(NC(=O)[C@@H]2CNC(=O)C23CC[NH2+]CC3)CC[NH2+]C1 ZINC001220521730 845280664 /nfs/dbraw/zinc/28/06/64/845280664.db2.gz MLYFZHLTVWYVJZ-LBPRGKRZSA-N 2 0 350.419 -0.971 20 0 FBADRP CCOC(=O)C1=C(NC(=O)[C@H]2CCCN([C@H]3CC[NH2+]C3)C2)CC[NH2+]C1 ZINC001220522002 845280893 /nfs/dbraw/zinc/28/08/93/845280893.db2.gz XAABDBYDPYYQFD-KBPBESRZSA-N 2 0 350.463 -0.013 20 0 FBADRP CCOC(=O)C1=C(NC(=O)[C@@H]2CCCN([C@H]3CC[NH2+]C3)C2)CC[NH2+]C1 ZINC001220522003 845280534 /nfs/dbraw/zinc/28/05/34/845280534.db2.gz XAABDBYDPYYQFD-KGLIPLIRSA-N 2 0 350.463 -0.013 20 0 FBADRP CCOC(=O)C1=C(NC(=O)[C@H]2CCCN([C@@H]3CC[NH2+]C3)C2)CC[NH2+]C1 ZINC001220522004 845280130 /nfs/dbraw/zinc/28/01/30/845280130.db2.gz XAABDBYDPYYQFD-UONOGXRCSA-N 2 0 350.463 -0.013 20 0 FBADRP CCOC(=O)C1=C(NC(=O)[C@@H]2CCCN([C@@H]3CC[NH2+]C3)C2)CC[NH2+]C1 ZINC001220522005 845280106 /nfs/dbraw/zinc/28/01/06/845280106.db2.gz XAABDBYDPYYQFD-ZIAGYGMSSA-N 2 0 350.463 -0.013 20 0 FBADRP CCOC(=O)C1=C(NC(=O)C2([NH3+])CCC3(CC2)OCCO3)CC[NH2+]C1 ZINC001220522630 845280931 /nfs/dbraw/zinc/28/09/31/845280931.db2.gz BRXBTIJRCVIZFS-UHFFFAOYSA-N 2 0 353.419 -0.072 20 0 FBADRP CCOC(=O)C1=C(NC(=O)C2CCN([C@H]3CC[NH2+]C3)CC2)CC[NH2+]C1 ZINC001220522718 845280297 /nfs/dbraw/zinc/28/02/97/845280297.db2.gz DIHXZFFECANONU-AWEZNQCLSA-N 2 0 350.463 -0.013 20 0 FBADRP CCOC(=O)C1=C(NC(=O)C2CCN([C@@H]3CC[NH2+]C3)CC2)CC[NH2+]C1 ZINC001220522778 845280774 /nfs/dbraw/zinc/28/07/74/845280774.db2.gz DIHXZFFECANONU-CQSZACIVSA-N 2 0 350.463 -0.013 20 0 FBADRP CC(C)([NH3+])CN(C(=O)CN1CC[NH2+]CC1)S(=O)(=O)c1ccccc1 ZINC001220535820 845285442 /nfs/dbraw/zinc/28/54/42/845285442.db2.gz MUQGFHQPKLJKAX-UHFFFAOYSA-N 2 0 354.476 -0.154 20 0 FBADRP CC(C)([NH3+])CN(C(=O)[C@@H](N)CSCC[NH3+])S(=O)(=O)c1ccccc1 ZINC001220535918 845284805 /nfs/dbraw/zinc/28/48/05/845284805.db2.gz PUTKHLIECUPBEJ-ZDUSSCGKSA-N 2 0 374.532 -0.040 20 0 FBADRP CC(C)([NH3+])CN(C(=O)[C@@]12C[NH2+]C[C@H]1CCN2)S(=O)(=O)c1ccccc1 ZINC001220535938 845284584 /nfs/dbraw/zinc/28/45/84/845284584.db2.gz QEJMQYNNORCFSL-CXAGYDPISA-N 2 0 366.487 -0.107 20 0 FBADRP CC(C)([NH3+])CN(C(=O)[C@]12C[NH2+]C[C@H]1CCN2)S(=O)(=O)c1ccccc1 ZINC001220535939 845286282 /nfs/dbraw/zinc/28/62/82/845286282.db2.gz QEJMQYNNORCFSL-DYVFJYSZSA-N 2 0 366.487 -0.107 20 0 FBADRP CC(C)([NH3+])CN(C(=O)[C@]12C[NH2+]C[C@@H]1CCN2)S(=O)(=O)c1ccccc1 ZINC001220535940 845286494 /nfs/dbraw/zinc/28/64/94/845286494.db2.gz QEJMQYNNORCFSL-GUYCJALGSA-N 2 0 366.487 -0.107 20 0 FBADRP CC(C)([NH3+])CN(C(=O)[C@@]12C[NH2+]C[C@@H]1CCN2)S(=O)(=O)c1ccccc1 ZINC001220535941 845286516 /nfs/dbraw/zinc/28/65/16/845286516.db2.gz QEJMQYNNORCFSL-SUMWQHHRSA-N 2 0 366.487 -0.107 20 0 FBADRP CC(C)([NH3+])CN(C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)S(=O)(=O)c1ccccc1 ZINC001220535990 845286317 /nfs/dbraw/zinc/28/63/17/845286317.db2.gz RBNMWTWRUZVGJO-AWEZNQCLSA-N 3 0 366.487 -0.250 20 0 FBADRP CC(C)([NH3+])CN(C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)S(=O)(=O)c1ccccc1 ZINC001220535991 845286223 /nfs/dbraw/zinc/28/62/23/845286223.db2.gz RBNMWTWRUZVGJO-CQSZACIVSA-N 3 0 366.487 -0.250 20 0 FBADRP CC(C)([NH3+])CN(C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)S(=O)(=O)c1ccccc1 ZINC001220536258 845286178 /nfs/dbraw/zinc/28/61/78/845286178.db2.gz ZWZIGWGVJCDULU-AEGPPILISA-N 2 0 366.487 -0.109 20 0 FBADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N(CC[NH3+])C12CC3CC(CC(C3)C1)C2 ZINC001220538062 845289146 /nfs/dbraw/zinc/28/91/46/845289146.db2.gz ACSQCDYWSGJHBI-UHFFFAOYSA-N 2 0 372.535 -0.037 20 0 FBADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N(CC[NH3+])C12CC3CC(CC(C3)C1)C2 ZINC001220538685 845289001 /nfs/dbraw/zinc/28/90/01/845289001.db2.gz YSYHCLPBDDERFY-SHJQWZHBSA-N 2 0 352.479 -0.433 20 0 FBADRP COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](O)C1 ZINC001220545944 845291101 /nfs/dbraw/zinc/29/11/01/845291101.db2.gz WIMMTKALQAVQQD-BBWFWOEESA-N 2 0 351.447 -0.470 20 0 FBADRP COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](O)C1 ZINC001220545945 845291977 /nfs/dbraw/zinc/29/19/77/845291977.db2.gz WIMMTKALQAVQQD-ZACQAIPSSA-N 2 0 351.447 -0.470 20 0 FBADRP C[C@@H]1[C@H]2CC[N@@H+]1C[C@H](NC(=O)[C@@H]1C[NH2+]CC13CCS(=O)(=O)CC3)C2 ZINC001220574544 845304606 /nfs/dbraw/zinc/30/46/06/845304606.db2.gz AYXXPTWPXIMNJV-BARDWOONSA-N 2 0 355.504 0.000 20 0 FBADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@@H]([NH3+])CC(=O)OCc1ccccc1 ZINC001220583047 845309087 /nfs/dbraw/zinc/30/90/87/845309087.db2.gz BQVPZWOUJDSTDL-AWEZNQCLSA-N 2 0 351.403 -0.202 20 0 FBADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COCC(F)(F)F)C[C@@H]1O ZINC001220583184 845309240 /nfs/dbraw/zinc/30/92/40/845309240.db2.gz RKAHTEPPIBAXRX-UPJWGTAASA-N 2 0 371.400 -0.571 20 0 FBADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)COCC(F)(F)F)C[C@@H]1O ZINC001220583189 845309955 /nfs/dbraw/zinc/30/99/55/845309955.db2.gz RKAHTEPPIBAXRX-XQQFMLRXSA-N 2 0 371.400 -0.571 20 0 FBADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@H](Cc1ccccc1)NC(=O)C[NH3+] ZINC001220583342 845309295 /nfs/dbraw/zinc/30/92/95/845309295.db2.gz JYZTXPKJHYMUER-AWEZNQCLSA-N 2 0 350.419 -0.977 20 0 FBADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F ZINC001220583596 845309794 /nfs/dbraw/zinc/30/97/94/845309794.db2.gz PQEHYQYIRXYYMU-JTQLQIEISA-N 2 0 370.372 -0.487 20 0 FBADRP CCOC(=O)CN(CC[NH3+])C(=O)CNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC001220583641 845309178 /nfs/dbraw/zinc/30/91/78/845309178.db2.gz SGOLCBNHCQLQDE-AWEZNQCLSA-N 2 0 350.419 -0.977 20 0 FBADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCCCCn2cncn2)C[C@@H]1O ZINC001220584787 845309335 /nfs/dbraw/zinc/30/93/35/845309335.db2.gz JTBDOCKJQYYUKK-CVEARBPZSA-N 2 0 352.483 -0.049 20 0 FBADRP CN1CCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])C1=O ZINC001220590255 845311258 /nfs/dbraw/zinc/31/12/58/845311258.db2.gz JZYCTTQTQJTLJJ-IHRRRGAJSA-N 2 0 353.467 -0.829 20 0 FBADRP [NH3+]C[C@@H](NC(=O)[C@H]1COC2(C[NH2+]C2)CN1)c1ccc(Br)cc1 ZINC001220607379 845317324 /nfs/dbraw/zinc/31/73/24/845317324.db2.gz LFTMUZAEAQODLG-CHWSQXEVSA-N 2 0 369.263 -0.105 20 0 FBADRP [NH3+]C[C@@H](NC(=O)[C@@H]1COC2(C[NH2+]C2)CN1)c1ccc(Br)cc1 ZINC001220607380 845317237 /nfs/dbraw/zinc/31/72/37/845317237.db2.gz LFTMUZAEAQODLG-OLZOCXBDSA-N 2 0 369.263 -0.105 20 0 FBADRP [NH3+]C[C@H](NC(=O)[C@H]1COC2(C[NH2+]C2)CN1)c1ccc(Br)cc1 ZINC001220607381 845317403 /nfs/dbraw/zinc/31/74/03/845317403.db2.gz LFTMUZAEAQODLG-QWHCGFSZSA-N 2 0 369.263 -0.105 20 0 FBADRP [NH3+]C[C@H](NC(=O)[C@@H]1COC2(C[NH2+]C2)CN1)c1ccc(Br)cc1 ZINC001220607382 845317023 /nfs/dbraw/zinc/31/70/23/845317023.db2.gz LFTMUZAEAQODLG-STQMWFEESA-N 2 0 369.263 -0.105 20 0 FBADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N[C@H](C[NH3+])c1ccc(Br)cc1 ZINC001220611041 845316910 /nfs/dbraw/zinc/31/69/10/845316910.db2.gz UBKOSHFLNNYDEM-KPXOXKRLSA-N 2 0 373.251 -0.611 20 0 FBADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC001220611048 845317784 /nfs/dbraw/zinc/31/77/84/845317784.db2.gz UBKOSHFLNNYDEM-UWJYBYFXSA-N 2 0 373.251 -0.611 20 0 FBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NC1CCN(S(=O)(=O)c2ccccn2)CC1 ZINC001220620142 845318600 /nfs/dbraw/zinc/31/86/00/845318600.db2.gz ORQVDSISQJZOQI-CYBMUJFWSA-N 2 0 355.464 -0.583 20 0 FBADRP [NH3+]CCC[C@H]([NH3+])C(=O)NC1CCN(S(=O)(=O)c2ccccn2)CC1 ZINC001220620143 845319280 /nfs/dbraw/zinc/31/92/80/845319280.db2.gz ORQVDSISQJZOQI-ZDUSSCGKSA-N 2 0 355.464 -0.583 20 0 FBADRP [NH3+]CCC[NH2+]CC(=O)NC1CCN(S(=O)(=O)c2ccccn2)CC1 ZINC001220622372 845319799 /nfs/dbraw/zinc/31/97/99/845319799.db2.gz LMYVVGXUHUBVTB-UHFFFAOYSA-N 2 0 355.464 -0.711 20 0 FBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)NC1CCN(S(=O)(=O)c2ccccn2)CC1 ZINC001220622888 845319917 /nfs/dbraw/zinc/31/99/17/845319917.db2.gz UQETWFUUEBDSIP-AWEZNQCLSA-N 2 0 369.491 -0.193 20 0 FBADRP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](CC3CCOCC3)C[C@@H]2O)CC1 ZINC001220637531 845325735 /nfs/dbraw/zinc/32/57/35/845325735.db2.gz GEQILQFCDGQMRD-SJORKVTESA-N 2 0 355.479 -0.315 20 0 FBADRP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](C[C@@H]3CCCCO3)C[C@@H]2O)CC1 ZINC001220637811 845325771 /nfs/dbraw/zinc/32/57/71/845325771.db2.gz NDJKQZLZRNPOPL-BBWFWOEESA-N 2 0 355.479 -0.172 20 0 FBADRP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](C[C@H]3CCCCO3)C[C@@H]2O)CC1 ZINC001220637812 845325641 /nfs/dbraw/zinc/32/56/41/845325641.db2.gz NDJKQZLZRNPOPL-ZACQAIPSSA-N 2 0 355.479 -0.172 20 0 FBADRP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](C[C@H]3CCCOC3)C[C@@H]2O)CC1 ZINC001220642502 845327385 /nfs/dbraw/zinc/32/73/85/845327385.db2.gz FDDOWCATHDXKKA-OIISXLGYSA-N 2 0 355.479 -0.315 20 0 FBADRP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](C[C@@H]3CCCOC3)C[C@@H]2O)CC1 ZINC001220642503 845326922 /nfs/dbraw/zinc/32/69/22/845326922.db2.gz FDDOWCATHDXKKA-UAGQMJEPSA-N 2 0 355.479 -0.315 20 0 FBADRP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCOC3)C[C@@H]2O)CC1 ZINC001220642703 845327693 /nfs/dbraw/zinc/32/76/93/845327693.db2.gz JMVINZVBGXGVLV-OIISXLGYSA-N 2 0 355.479 -0.315 20 0 FBADRP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](CC[C@H]3CCOC3)C[C@@H]2O)CC1 ZINC001220642704 845327016 /nfs/dbraw/zinc/32/70/16/845327016.db2.gz JMVINZVBGXGVLV-UAGQMJEPSA-N 2 0 355.479 -0.315 20 0 FBADRP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](CCOC3CCC3)C[C@@H]2O)CC1 ZINC001220642954 845326758 /nfs/dbraw/zinc/32/67/58/845326758.db2.gz OTOQMDFAJBBAER-SJORKVTESA-N 2 0 355.479 -0.172 20 0 FBADRP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](CC[C@H]3CCCO3)C[C@@H]2O)CC1 ZINC001220643281 845327165 /nfs/dbraw/zinc/32/71/65/845327165.db2.gz YJWNWELZGKLUTB-OIISXLGYSA-N 2 0 355.479 -0.172 20 0 FBADRP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCCO3)C[C@@H]2O)CC1 ZINC001220643282 845327433 /nfs/dbraw/zinc/32/74/33/845327433.db2.gz YJWNWELZGKLUTB-UAGQMJEPSA-N 2 0 355.479 -0.172 20 0 FBADRP CC(=O)NCSC[C@H]([NH3+])C(=O)NCc1ccccc1N1CC[NH2+]CC1 ZINC001220651127 845329785 /nfs/dbraw/zinc/32/97/85/845329785.db2.gz CLWGCYUDRPNLQS-HNNXBMFYSA-N 2 0 365.503 -0.134 20 0 FBADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCCCn2cncn2)C[C@@H]1O ZINC001220688279 845347896 /nfs/dbraw/zinc/34/78/96/845347896.db2.gz CXOPLUZGCCUEOD-CVEARBPZSA-N 2 0 352.483 -0.049 20 0 FBADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCNC(=O)C(F)(F)F)C[C@@H]1O ZINC001220688467 845348379 /nfs/dbraw/zinc/34/83/79/845348379.db2.gz HSZSIHOGAPYXBL-NEPJUHHUSA-N 2 0 368.400 -0.442 20 0 FBADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)COCC(F)(F)F)C[C@@H]1O ZINC001220688508 845348163 /nfs/dbraw/zinc/34/81/63/845348163.db2.gz JFLSTDFLABMFPU-UPJWGTAASA-N 2 0 371.400 -0.571 20 0 FBADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)COCC(F)(F)F)C[C@@H]1O ZINC001220688509 845348266 /nfs/dbraw/zinc/34/82/66/845348266.db2.gz JFLSTDFLABMFPU-XQQFMLRXSA-N 2 0 371.400 -0.571 20 0 FBADRP Nc1ncc(CCNC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])s1 ZINC001220703664 845354391 /nfs/dbraw/zinc/35/43/91/845354391.db2.gz FADJVKIRXPEIPE-STQMWFEESA-N 2 0 368.507 -0.169 20 0 FBADRP COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](O)C1 ZINC001220728344 845364479 /nfs/dbraw/zinc/36/44/79/845364479.db2.gz IAWIMFVDXZHABO-BBWFWOEESA-N 2 0 355.479 -0.723 20 0 FBADRP COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](O)C1 ZINC001220728345 845364338 /nfs/dbraw/zinc/36/43/38/845364338.db2.gz IAWIMFVDXZHABO-ZACQAIPSSA-N 2 0 355.479 -0.723 20 0 FBADRP COC(CCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+])OC ZINC001220741240 845371955 /nfs/dbraw/zinc/37/19/55/845371955.db2.gz IVXLQEBNCCHAME-KBPBESRZSA-N 2 0 358.483 -0.051 20 0 FBADRP CS(=O)(=O)N(CC[NH3+])CC(=O)NC1CCN(c2cc[nH+]cc2)CC1 ZINC001220743661 845372316 /nfs/dbraw/zinc/37/23/16/845372316.db2.gz LMZVKCQZBVWHJW-UHFFFAOYSA-N 2 0 355.464 -0.613 20 0 FBADRP C[C@@H]([NH3+])C(=O)N(CC[NH3+])c1ccc(S(=O)(=O)N(C)C)c2nonc21 ZINC001220748572 845373658 /nfs/dbraw/zinc/37/36/58/845373658.db2.gz KEOOZWOAVKXQPQ-MRVPVSSYSA-N 2 0 356.408 -0.888 20 0 FBADRP C[C@@H](C[NH3+])C(=O)N(CC[NH3+])c1ccc(S(=O)(=O)N(C)C)c2nonc21 ZINC001220748649 845374046 /nfs/dbraw/zinc/37/40/46/845374046.db2.gz KZEVCWUDBODTIL-VIFPVBQESA-N 2 0 370.435 -0.640 20 0 FBADRP C[NH2+]CCC(=O)N(CC[NH3+])c1ccc(S(=O)(=O)N(C)C)c2nonc21 ZINC001220748698 845373930 /nfs/dbraw/zinc/37/39/30/845373930.db2.gz LQRIMQPURYBFCU-UHFFFAOYSA-N 2 0 370.435 -0.626 20 0 FBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]2CC[NH2+]2)c2nonc21 ZINC001220748851 845374354 /nfs/dbraw/zinc/37/43/54/845374354.db2.gz OCBMVPARQPTEPQ-VIFPVBQESA-N 2 0 368.419 -0.873 20 0 FBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)C2([NH3+])CC2)c2nonc21 ZINC001220749446 845373833 /nfs/dbraw/zinc/37/38/33/845373833.db2.gz VTTVTOSXFLEYSL-UHFFFAOYSA-N 2 0 368.419 -0.744 20 0 FBADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)NCCCN1CCS(=O)(=O)CC1 ZINC001220756514 845377863 /nfs/dbraw/zinc/37/78/63/845377863.db2.gz FKTJTFLKWBRPKJ-HNNXBMFYSA-N 2 0 362.540 -0.281 20 0 FBADRP CC(=O)NC[C@H](C)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220756676 845378366 /nfs/dbraw/zinc/37/83/66/845378366.db2.gz HGGCVUFQFPGBQR-QEJZJMRPSA-N 2 0 355.483 -0.678 20 0 FBADRP CC(=O)NC[C@@H](C)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220756679 845377716 /nfs/dbraw/zinc/37/77/16/845377716.db2.gz HGGCVUFQFPGBQR-SNPRPXQTSA-N 2 0 355.483 -0.678 20 0 FBADRP O=C(NCCCN1CCS(=O)(=O)CC1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220757181 845378107 /nfs/dbraw/zinc/37/81/07/845378107.db2.gz WLPLFKVJUHRZCW-AWEZNQCLSA-N 2 0 358.508 -0.903 20 0 FBADRP O=C(NCCCN1CCS(=O)(=O)CC1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220757182 845378170 /nfs/dbraw/zinc/37/81/70/845378170.db2.gz WLPLFKVJUHRZCW-CQSZACIVSA-N 2 0 358.508 -0.903 20 0 FBADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@@H]1O ZINC001220764127 845383270 /nfs/dbraw/zinc/38/32/70/845383270.db2.gz ABUVYXPKFCKFKI-OLZOCXBDSA-N 2 0 371.400 -0.305 20 0 FBADRP Cc1ncsc1CC[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768262 845383871 /nfs/dbraw/zinc/38/38/71/845383871.db2.gz CUKBYBQWTSTNTG-KGLIPLIRSA-N 2 0 356.492 -0.266 20 0 FBADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@@H]1O ZINC001220768319 845384288 /nfs/dbraw/zinc/38/42/88/845384288.db2.gz GRCLHPIPCLLPHT-SJORKVTESA-N 2 0 357.495 -0.067 20 0 FBADRP CO[C@@H](C[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1)C1CCCC1 ZINC001220768410 845385629 /nfs/dbraw/zinc/38/56/29/845385629.db2.gz KKJRTMMYWIYLMX-IKGGRYGDSA-N 2 0 357.495 -0.069 20 0 FBADRP CO[C@H](C[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1)C1CCCC1 ZINC001220768411 845385178 /nfs/dbraw/zinc/38/51/78/845385178.db2.gz KKJRTMMYWIYLMX-IXDOHACOSA-N 2 0 357.495 -0.069 20 0 FBADRP CCn1cc(CC[N@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)cn1 ZINC001220768564 845385298 /nfs/dbraw/zinc/38/52/98/845385298.db2.gz RESJPZDLRRLWKT-CVEARBPZSA-N 2 0 353.467 -0.815 20 0 FBADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](C[C@H](O)C2CCCCC2)C[C@@H]1O ZINC001220768575 845385826 /nfs/dbraw/zinc/38/58/26/845385826.db2.gz SCEVLAJKSIZIKS-IKGGRYGDSA-N 2 0 357.495 -0.333 20 0 FBADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)C2CCCCC2)C[C@@H]1O ZINC001220768576 845385035 /nfs/dbraw/zinc/38/50/35/845385035.db2.gz SCEVLAJKSIZIKS-ZACQAIPSSA-N 2 0 357.495 -0.333 20 0 FBADRP O=C(N[C@@H]1C[N@@H+](CCCO[C@@H]2CCOC2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001220771437 845387171 /nfs/dbraw/zinc/38/71/71/845387171.db2.gz SUIZOHZAWNXQFZ-OAGGEKHMSA-N 2 0 353.463 -0.561 20 0 FBADRP O=C(N[C@@H]1C[N@@H+](CCCO[C@H]2CCOC2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001220771438 845386978 /nfs/dbraw/zinc/38/69/78/845386978.db2.gz SUIZOHZAWNXQFZ-XHSDSOJGSA-N 2 0 353.463 -0.561 20 0 FBADRP CC(C)COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001220771494 845387309 /nfs/dbraw/zinc/38/73/09/845387309.db2.gz WESPRNLZMMTQJJ-OAGGEKHMSA-N 2 0 355.479 -0.723 20 0 FBADRP CC(C)COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001220771495 845386878 /nfs/dbraw/zinc/38/68/78/845386878.db2.gz WESPRNLZMMTQJJ-XHSDSOJGSA-N 2 0 355.479 -0.723 20 0 FBADRP O=C(NC[C@@H]1CC[NH2+][C@H]1c1cccnc1)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001220788432 845393867 /nfs/dbraw/zinc/39/38/67/845393867.db2.gz DOXFEOWLQNNOSV-KKUMJFAQSA-N 2 0 364.471 -0.375 20 0 FBADRP O=C(NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1)[C@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001220788433 845393928 /nfs/dbraw/zinc/39/39/28/845393928.db2.gz DOXFEOWLQNNOSV-RRFJBIMHSA-N 2 0 364.471 -0.375 20 0 FBADRP O=C(NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001220788434 845393942 /nfs/dbraw/zinc/39/39/42/845393942.db2.gz DOXFEOWLQNNOSV-SOUVJXGZSA-N 2 0 364.471 -0.375 20 0 FBADRP O=C(NC[C@@H]1CC[NH2+][C@H]1c1cccnc1)[C@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001220788435 845394490 /nfs/dbraw/zinc/39/44/90/845394490.db2.gz DOXFEOWLQNNOSV-ZNMIVQPWSA-N 2 0 364.471 -0.375 20 0 FBADRP CS(=O)(=O)N(CC[NH3+])CC(=O)NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1 ZINC001220790952 845393886 /nfs/dbraw/zinc/39/38/86/845393886.db2.gz VQJNOLPUANNXCP-DZGCQCFKSA-N 2 0 355.464 -0.931 20 0 FBADRP CS(=O)(=O)N(CC[NH3+])CC(=O)NC[C@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001220790953 845394461 /nfs/dbraw/zinc/39/44/61/845394461.db2.gz VQJNOLPUANNXCP-HIFRSBDPSA-N 2 0 355.464 -0.931 20 0 FBADRP CS(=O)(=O)N(CC[NH3+])CC(=O)NC[C@H]1CC[NH2+][C@@H]1c1cccnc1 ZINC001220790954 845393840 /nfs/dbraw/zinc/39/38/40/845393840.db2.gz VQJNOLPUANNXCP-UKRRQHHQSA-N 2 0 355.464 -0.931 20 0 FBADRP CS(=O)(=O)N(CC[NH3+])CC(=O)NC[C@@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001220790955 845394103 /nfs/dbraw/zinc/39/41/03/845394103.db2.gz VQJNOLPUANNXCP-ZFWWWQNUSA-N 2 0 355.464 -0.931 20 0 FBADRP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCc3ncnn32)C[C@@H]1O ZINC001220798761 845398322 /nfs/dbraw/zinc/39/83/22/845398322.db2.gz GOHKZRDIKSOHHX-KFWWJZLASA-N 2 0 350.467 -0.341 20 0 FBADRP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCc3ncnn32)C[C@@H]1O ZINC001220798762 845398077 /nfs/dbraw/zinc/39/80/77/845398077.db2.gz GOHKZRDIKSOHHX-ZNMIVQPWSA-N 2 0 350.467 -0.341 20 0 FBADRP CC(C)COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220798812 845397583 /nfs/dbraw/zinc/39/75/83/845397583.db2.gz HLMWCYCYZLZUHB-BBWFWOEESA-N 2 0 359.511 -0.087 20 0 FBADRP CC(C)COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220798814 845397778 /nfs/dbraw/zinc/39/77/78/845397778.db2.gz HLMWCYCYZLZUHB-ZACQAIPSSA-N 2 0 359.511 -0.087 20 0 FBADRP O=C(N[C@@H]1CC[NH2+]C[C@H]1C(F)(F)F)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001220800288 845398064 /nfs/dbraw/zinc/39/80/64/845398064.db2.gz OIOJNEPGKYCLFT-IVZWLZJFSA-N 2 0 355.382 -0.580 20 0 FBADRP O=C(N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F)[C@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001220800291 845397923 /nfs/dbraw/zinc/39/79/23/845397923.db2.gz OIOJNEPGKYCLFT-KXUCPTDWSA-N 2 0 355.382 -0.580 20 0 FBADRP O=C(N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001220800292 845397911 /nfs/dbraw/zinc/39/79/11/845397911.db2.gz OIOJNEPGKYCLFT-LPEHRKFASA-N 2 0 355.382 -0.580 20 0 FBADRP O=C(N[C@@H]1CC[NH2+]C[C@H]1C(F)(F)F)[C@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001220800293 845398013 /nfs/dbraw/zinc/39/80/13/845398013.db2.gz OIOJNEPGKYCLFT-OPRDCNLKSA-N 2 0 355.382 -0.580 20 0 FBADRP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@@H]1O ZINC001220801415 845397512 /nfs/dbraw/zinc/39/75/12/845397512.db2.gz FJLHOWYREVAKIH-CVEARBPZSA-N 2 0 354.495 -0.108 20 0 FBADRP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@@H]1O ZINC001220802154 845398225 /nfs/dbraw/zinc/39/82/25/845398225.db2.gz QOYHLPRMDIBXOZ-OAGGEKHMSA-N 2 0 353.467 -0.863 20 0 FBADRP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@@H]1O ZINC001220802155 845398301 /nfs/dbraw/zinc/39/83/01/845398301.db2.gz QOYHLPRMDIBXOZ-XHSDSOJGSA-N 2 0 353.467 -0.863 20 0 FBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001220803235 845398400 /nfs/dbraw/zinc/39/84/00/845398400.db2.gz DDTCEHLQNOGUBX-DCAQKATOSA-N 2 0 368.400 -0.098 20 0 FBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001220803236 845398338 /nfs/dbraw/zinc/39/83/38/845398338.db2.gz DDTCEHLQNOGUBX-GARJFASQSA-N 2 0 368.400 -0.098 20 0 FBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001220803237 845397733 /nfs/dbraw/zinc/39/77/33/845397733.db2.gz DDTCEHLQNOGUBX-OUAUKWLOSA-N 2 0 368.400 -0.098 20 0 FBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001220803238 845398133 /nfs/dbraw/zinc/39/81/33/845398133.db2.gz DDTCEHLQNOGUBX-VWYCJHECSA-N 2 0 368.400 -0.098 20 0 FBADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C(F)(F)F)COC1(C)C ZINC001220806293 845399093 /nfs/dbraw/zinc/39/90/93/845399093.db2.gz ZTVMXUHBSOPXHA-MMWGEVLESA-N 2 0 366.384 -0.046 20 0 FBADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N[C@H]2CC[NH2+]C[C@@H]2C(F)(F)F)COC1(C)C ZINC001220806294 845399539 /nfs/dbraw/zinc/39/95/39/845399539.db2.gz ZTVMXUHBSOPXHA-NAKRPEOUSA-N 2 0 366.384 -0.046 20 0 FBADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N[C@H]2CC[NH2+]C[C@H]2C(F)(F)F)COC1(C)C ZINC001220806295 845399792 /nfs/dbraw/zinc/39/97/92/845399792.db2.gz ZTVMXUHBSOPXHA-VLEAKVRGSA-N 2 0 366.384 -0.046 20 0 FBADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N[C@@H]2CC[NH2+]C[C@H]2C(F)(F)F)COC1(C)C ZINC001220806296 845398873 /nfs/dbraw/zinc/39/88/73/845398873.db2.gz ZTVMXUHBSOPXHA-ZDCRXTMVSA-N 2 0 366.384 -0.046 20 0 FBADRP Cn1ccc(C[N@H+]2C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C2)cc1=O ZINC001220807266 845399652 /nfs/dbraw/zinc/39/96/52/845399652.db2.gz SQVPNYZEUZQQRH-CVEARBPZSA-N 2 0 350.463 -0.222 20 0 FBADRP CC(=O)NCCOCC[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220807616 845399598 /nfs/dbraw/zinc/39/95/98/845399598.db2.gz ZRVWGXHNMFYQSS-CVEARBPZSA-N 2 0 358.483 -0.968 20 0 FBADRP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@@H]1O ZINC001220809272 845400687 /nfs/dbraw/zinc/40/06/87/845400687.db2.gz QOEJVDAXPUQJQP-OAGGEKHMSA-N 2 0 354.495 -0.204 20 0 FBADRP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@@H]1O ZINC001220809273 845400801 /nfs/dbraw/zinc/40/08/01/845400801.db2.gz QOEJVDAXPUQJQP-XHSDSOJGSA-N 2 0 354.495 -0.204 20 0 FBADRP COc1cc(CNC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)cc(OC)c1O ZINC001220812799 845402215 /nfs/dbraw/zinc/40/22/15/845402215.db2.gz SLVYJWPONOGJII-CYBMUJFWSA-N 2 0 352.435 -0.224 20 0 FBADRP COc1cc(CNC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)cc(OC)c1O ZINC001220812800 845401875 /nfs/dbraw/zinc/40/18/75/845401875.db2.gz SLVYJWPONOGJII-ZDUSSCGKSA-N 2 0 352.435 -0.224 20 0 FBADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@@H]1O ZINC001220817095 845403064 /nfs/dbraw/zinc/40/30/64/845403064.db2.gz NNETXAKYUMDVMV-CVEARBPZSA-N 2 0 354.495 -0.108 20 0 FBADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)COCC(C)C)C[C@@H]1O ZINC001220817177 845403544 /nfs/dbraw/zinc/40/35/44/845403544.db2.gz NTUGMCQQESCTRI-BBWFWOEESA-N 2 0 359.511 -0.087 20 0 FBADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)COCC(C)C)C[C@@H]1O ZINC001220817178 845403905 /nfs/dbraw/zinc/40/39/05/845403905.db2.gz NTUGMCQQESCTRI-ZACQAIPSSA-N 2 0 359.511 -0.087 20 0 FBADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)Cn2cccn2)C[C@@H]1O ZINC001220817447 845403869 /nfs/dbraw/zinc/40/38/69/845403869.db2.gz WSQGBTOMPXSRED-OAGGEKHMSA-N 2 0 353.467 -0.863 20 0 FBADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)Cn2cccn2)C[C@@H]1O ZINC001220817448 845403406 /nfs/dbraw/zinc/40/34/06/845403406.db2.gz WSQGBTOMPXSRED-XHSDSOJGSA-N 2 0 353.467 -0.863 20 0 FBADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ccn(C)c(=O)c2)C[C@@H]1O ZINC001220823852 845406294 /nfs/dbraw/zinc/40/62/94/845406294.db2.gz GANMOEHEPBVTDJ-CVEARBPZSA-N 2 0 350.463 -0.222 20 0 FBADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOCCNC(C)=O)C[C@@H]1O ZINC001220825760 845406202 /nfs/dbraw/zinc/40/62/02/845406202.db2.gz FWKZDIIRAVSDHU-CVEARBPZSA-N 2 0 358.483 -0.968 20 0 FBADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H]2CCc3ncnn32)C[C@@H]1O ZINC001220825932 845406642 /nfs/dbraw/zinc/40/66/42/845406642.db2.gz KBEGZRDEASYLHH-KFWWJZLASA-N 2 0 350.467 -0.341 20 0 FBADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H]2CCc3ncnn32)C[C@@H]1O ZINC001220825933 845408482 /nfs/dbraw/zinc/40/84/82/845408482.db2.gz KBEGZRDEASYLHH-ZNMIVQPWSA-N 2 0 350.467 -0.341 20 0 FBADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H]2CCNC(=O)CC2)C[C@@H]1O ZINC001220826317 845407668 /nfs/dbraw/zinc/40/76/68/845407668.db2.gz XWLXMRUJVVPJII-OAGGEKHMSA-N 2 0 354.495 -0.204 20 0 FBADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H]2CCNC(=O)CC2)C[C@@H]1O ZINC001220826318 845408246 /nfs/dbraw/zinc/40/82/46/845408246.db2.gz XWLXMRUJVVPJII-XHSDSOJGSA-N 2 0 354.495 -0.204 20 0 FBADRP CCOC(=O)C1=C(NC(=O)[C@@H]2CCC[N@@H+](C3CC[NH2+]CC3)C2)C[NH2+]C1 ZINC001220827686 845408299 /nfs/dbraw/zinc/40/82/99/845408299.db2.gz XVGXHAHUVUYEIA-CYBMUJFWSA-N 3 0 350.463 -0.013 20 0 FBADRP CCOC(=O)C1=C(NC(=O)[C@H]2CCC[N@@H+](C3CC[NH2+]CC3)C2)C[NH2+]C1 ZINC001220827687 845408448 /nfs/dbraw/zinc/40/84/48/845408448.db2.gz XVGXHAHUVUYEIA-ZDUSSCGKSA-N 3 0 350.463 -0.013 20 0 FBADRP CCOC(=O)C1=C(NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCC[NH2+]2)C[NH2+]C1 ZINC001220828800 845408380 /nfs/dbraw/zinc/40/83/80/845408380.db2.gz TXLQBADUCGBVTJ-JSGCOSHPSA-N 2 0 350.419 -0.734 20 0 FBADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)COCC(F)(F)F)C[C@@H]1O ZINC001220828874 845408309 /nfs/dbraw/zinc/40/83/09/845408309.db2.gz GOGMLAKLZBQLIV-UPJWGTAASA-N 2 0 371.400 -0.571 20 0 FBADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)COCC(F)(F)F)C[C@@H]1O ZINC001220828875 845407592 /nfs/dbraw/zinc/40/75/92/845407592.db2.gz GOGMLAKLZBQLIV-XQQFMLRXSA-N 2 0 371.400 -0.571 20 0 FBADRP CCOC(=O)C1=C(NC(=O)[C@@H]([NH3+])C2CCC3(CC2)OCCO3)C[NH2+]C1 ZINC001220829962 845408525 /nfs/dbraw/zinc/40/85/25/845408525.db2.gz HPTFYIWMNAXEFQ-AWEZNQCLSA-N 2 0 353.419 -0.216 20 0 FBADRP CCOC(=O)C1=C(NC(=O)[C@H]([NH3+])C2CCC3(CC2)OCCO3)C[NH2+]C1 ZINC001220829963 845407902 /nfs/dbraw/zinc/40/79/02/845407902.db2.gz HPTFYIWMNAXEFQ-CQSZACIVSA-N 2 0 353.419 -0.216 20 0 FBADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCCCCn2cncn2)C[C@@H]1O ZINC001220830805 845409744 /nfs/dbraw/zinc/40/97/44/845409744.db2.gz JBBPZTPLTBHXHI-CVEARBPZSA-N 2 0 352.483 -0.049 20 0 FBADRP CCOC(=O)C1=C(NC(=O)c2csc(N3CC[NH2+]CC3)n2)C[NH2+]C1 ZINC001220832097 845409419 /nfs/dbraw/zinc/40/94/19/845409419.db2.gz WUNPIWKHHWHKFX-UHFFFAOYSA-N 2 0 351.432 -0.297 20 0 FBADRP CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+])C(N)=O ZINC001220840864 845410679 /nfs/dbraw/zinc/41/06/79/845410679.db2.gz XRXUDCALUYVWPH-AVGNSLFASA-N 2 0 373.523 -0.843 20 0 FBADRP CCOC(=O)[C@@H](C)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220848645 845412049 /nfs/dbraw/zinc/41/20/49/845412049.db2.gz DNTGECWAIAWGGA-IHRRRGAJSA-N 2 0 356.467 -0.251 20 0 FBADRP CCOC(=O)[C@H](C)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220848646 845412275 /nfs/dbraw/zinc/41/22/75/845412275.db2.gz DNTGECWAIAWGGA-RDBSUJKOSA-N 2 0 356.467 -0.251 20 0 FBADRP CCOC(=O)C1(NC(=O)[C@H](c2ccco2)N2CCC([NH3+])CC2)C[NH2+]C1 ZINC001220850915 845412310 /nfs/dbraw/zinc/41/23/10/845412310.db2.gz AHCAWHILJWFQJM-AWEZNQCLSA-N 2 0 350.419 -0.235 20 0 FBADRP CCOC(=O)C1(NC(=O)[C@@H](c2ccco2)N2CCC([NH3+])CC2)C[NH2+]C1 ZINC001220850916 845412494 /nfs/dbraw/zinc/41/24/94/845412494.db2.gz AHCAWHILJWFQJM-CQSZACIVSA-N 2 0 350.419 -0.235 20 0 FBADRP CCOC(=O)C1(NC(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F)C[NH2+]C1 ZINC001220851350 845412023 /nfs/dbraw/zinc/41/20/23/845412023.db2.gz SEKCHAICBVKAFM-VIFPVBQESA-N 2 0 368.356 -0.816 20 0 FBADRP CCOC(=O)C1(NC(=O)[C@H](c2ccco2)N2CCC[NH2+]CC2)C[NH2+]C1 ZINC001220851370 845412325 /nfs/dbraw/zinc/41/23/25/845412325.db2.gz TUVXGMFLKIPYCO-AWEZNQCLSA-N 2 0 350.419 -0.363 20 0 FBADRP CCOC(=O)C1(NC(=O)[C@@H](c2ccco2)N2CCC[NH2+]CC2)C[NH2+]C1 ZINC001220851371 845412403 /nfs/dbraw/zinc/41/24/03/845412403.db2.gz TUVXGMFLKIPYCO-CQSZACIVSA-N 2 0 350.419 -0.363 20 0 FBADRP COC[C@H](NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)[C@@H](O)c1ccccc1 ZINC001220865769 845418521 /nfs/dbraw/zinc/41/85/21/845418521.db2.gz KDPJEXMSWWCVNB-IKGGRYGDSA-N 2 0 350.463 -0.398 20 0 FBADRP COC[C@H](NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)[C@@H](O)c1ccccc1 ZINC001220865770 845418485 /nfs/dbraw/zinc/41/84/85/845418485.db2.gz KDPJEXMSWWCVNB-ULQDDVLXSA-N 2 0 350.463 -0.398 20 0 FBADRP [NH3+]CCN=c1ccc(Br)cn1C(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001220870210 845421600 /nfs/dbraw/zinc/42/16/00/845421600.db2.gz JKFQUQLYCXRGMP-LLVKDONJSA-N 2 0 370.251 -0.919 20 0 FBADRP [NH3+]CCN=c1ccc(Br)cn1C(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001220870211 845421353 /nfs/dbraw/zinc/42/13/53/845421353.db2.gz JKFQUQLYCXRGMP-NSHDSACASA-N 2 0 370.251 -0.919 20 0 FBADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)n1cc(Br)ccc1=NCC[NH3+] ZINC001220870469 845421710 /nfs/dbraw/zinc/42/17/10/845421710.db2.gz KXPJFJNDKSJYON-SNVBAGLBSA-N 2 0 373.255 -0.474 20 0 FBADRP C[S@](=O)CC[C@H]([NH3+])C(=O)n1cc(Br)ccc1=NCC[NH3+] ZINC001220870538 845421419 /nfs/dbraw/zinc/42/14/19/845421419.db2.gz LQENCCCQGNAAQL-FVINQWEUSA-N 2 0 363.281 -0.154 20 0 FBADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)n1cc(Br)ccc1=NCC[NH3+] ZINC001220870554 845421340 /nfs/dbraw/zinc/42/13/40/845421340.db2.gz LQENCCCQGNAAQL-WVDJIFEKSA-N 2 0 363.281 -0.154 20 0 FBADRP [NH3+]CCN=c1ccc(Br)cn1C(=O)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001220870665 845421050 /nfs/dbraw/zinc/42/10/50/845421050.db2.gz OCLDXJAWPAYXIX-HZMBPMFUSA-N 2 0 354.252 -0.298 20 0 FBADRP [NH3+]CCN=c1ccc(Br)cn1C(=O)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001220870676 845421179 /nfs/dbraw/zinc/42/11/79/845421179.db2.gz OCLDXJAWPAYXIX-IINYFYTJSA-N 2 0 354.252 -0.298 20 0 FBADRP [NH3+]CCN=c1ccc(Br)cn1C(=O)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001220870678 845421742 /nfs/dbraw/zinc/42/17/42/845421742.db2.gz OCLDXJAWPAYXIX-QMTHXVAHSA-N 2 0 354.252 -0.298 20 0 FBADRP [NH3+]CCN=c1ccc(Br)cn1C(=O)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001220870679 845421615 /nfs/dbraw/zinc/42/16/15/845421615.db2.gz OCLDXJAWPAYXIX-YGRLFVJLSA-N 2 0 354.252 -0.298 20 0 FBADRP [NH3+]CCN=c1ccc(Br)cn1C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001220871018 845421563 /nfs/dbraw/zinc/42/15/63/845421563.db2.gz RNWRTKPTYUKGFC-ZMLRMANQSA-N 2 0 354.252 -0.300 20 0 FBADRP [NH3+]CCN=c1ccc(Br)cn1C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220871026 845421586 /nfs/dbraw/zinc/42/15/86/845421586.db2.gz RROCXQLHQNYWQI-IAQYHMDHSA-N 3 0 368.279 -0.051 20 0 FBADRP [NH3+]CCN=c1ccc(Br)cn1C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220871049 845421118 /nfs/dbraw/zinc/42/11/18/845421118.db2.gz RZDLAZJHTCXYGH-JTQLQIEISA-N 3 0 362.297 -0.231 20 0 FBADRP [NH3+]CCN=c1ccc(Br)cn1C(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001220871302 845421454 /nfs/dbraw/zinc/42/14/54/845421454.db2.gz ZMBRLKQKVUYKFF-NSHDSACASA-N 2 0 370.251 -0.300 20 0 FBADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)NCCOCCN1C(=O)C=CC1=O ZINC001220878488 845423830 /nfs/dbraw/zinc/42/38/30/845423830.db2.gz FGZVNQROTAKFRA-AWEZNQCLSA-N 2 0 354.451 -0.460 20 0 FBADRP COC(=O)[C@@H]1C[C@H]1CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220881483 845425814 /nfs/dbraw/zinc/42/58/14/845425814.db2.gz LIPFZFHDDCSNQX-CRWXNKLISA-N 2 0 354.451 -0.641 20 0 FBADRP COC(=O)[C@@H]1C[C@@H]1CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220881484 845425168 /nfs/dbraw/zinc/42/51/68/845425168.db2.gz LIPFZFHDDCSNQX-MQYQWHSLSA-N 2 0 354.451 -0.641 20 0 FBADRP COC(=O)[C@H]1C[C@@H]1CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220881485 845425359 /nfs/dbraw/zinc/42/53/59/845425359.db2.gz LIPFZFHDDCSNQX-RFGFWPKPSA-N 2 0 354.451 -0.641 20 0 FBADRP COC(=O)[C@H]1C[C@H]1CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220881486 845425115 /nfs/dbraw/zinc/42/51/15/845425115.db2.gz LIPFZFHDDCSNQX-XUXIUFHCSA-N 2 0 354.451 -0.641 20 0 FBADRP O=C(CN1CC[NH2+]CC1)NCC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC001220898402 845429979 /nfs/dbraw/zinc/42/99/79/845429979.db2.gz IGJISBNSHKYGDU-UHFFFAOYSA-N 2 0 351.495 -0.515 20 0 FBADRP N[C@]1(C(=O)NCC(=O)N2CC[NH+](C3CCCCC3)CC2)CCC[NH2+]C1 ZINC001220900194 845430126 /nfs/dbraw/zinc/43/01/26/845430126.db2.gz CYDWXVOLDDBPFP-GOSISDBHSA-N 2 0 351.495 -0.340 20 0 FBADRP N[C@@]1(C(=O)NCC(=O)N2CC[NH+](C3CCCCC3)CC2)CCC[NH2+]C1 ZINC001220900195 845429358 /nfs/dbraw/zinc/42/93/58/845429358.db2.gz CYDWXVOLDDBPFP-SFHVURJKSA-N 2 0 351.495 -0.340 20 0 FBADRP [NH3+]CCN(CCNC(=O)C[C@@H]([NH3+])Cc1ccc(F)c(F)c1)N(O)N=O ZINC001220900390 845429548 /nfs/dbraw/zinc/42/95/48/845429548.db2.gz IXQQYKINICZZNZ-NSHDSACASA-N 2 0 360.365 -0.111 20 0 FBADRP C[S@](=O)CC[C@H]([NH3+])C(=O)NCC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC001220900414 845429870 /nfs/dbraw/zinc/42/98/70/845429870.db2.gz JNMWBUXYTDMBIJ-MQNRADLISA-N 2 0 372.535 -0.325 20 0 FBADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)NCC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC001220900415 845429556 /nfs/dbraw/zinc/42/95/56/845429556.db2.gz JNMWBUXYTDMBIJ-ODCWNRFASA-N 2 0 372.535 -0.325 20 0 FBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NCC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC001220900740 845429572 /nfs/dbraw/zinc/42/95/72/845429572.db2.gz OVWFZIWGTVQISG-HNNXBMFYSA-N 3 0 371.551 -0.401 20 0 FBADRP CC(C)(C)OC(=O)CC[C@H]([NH3+])CC(=O)NCCN(CC[NH3+])N(O)N=O ZINC001220900745 845429424 /nfs/dbraw/zinc/42/94/24/845429424.db2.gz OZNPVIKZMYPVJM-NSHDSACASA-N 2 0 362.431 -0.510 20 0 FBADRP C[NH2+][C@@H](COCc1ccccc1)C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001220900761 845429512 /nfs/dbraw/zinc/42/95/12/845429512.db2.gz PIDZEGIMJJADCU-AWEZNQCLSA-N 2 0 354.411 -0.544 20 0 FBADRP NC1(C(=O)NCC(=O)N2CC[NH+](C3CCCCC3)CC2)CC[NH2+]CC1 ZINC001220901287 845429589 /nfs/dbraw/zinc/42/95/89/845429589.db2.gz WISWXRXGIAYIQE-UHFFFAOYSA-N 2 0 351.495 -0.340 20 0 FBADRP CCc1ccc(CN(CC[NH3+])C(=O)CN(CC[NH3+])S(C)(=O)=O)cc1 ZINC001220902981 845430803 /nfs/dbraw/zinc/43/08/03/845430803.db2.gz HOKLDPPESRMCBY-UHFFFAOYSA-N 2 0 356.492 -0.243 20 0 FBADRP CCC(C)(CC)OC(=O)C[C@H]([NH3+])C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001220903590 845431067 /nfs/dbraw/zinc/43/10/67/845431067.db2.gz XJDRKGHDQISNON-NSHDSACASA-N 2 0 362.431 -0.510 20 0 FBADRP CC(C)(C)C(=O)C[NH+]1CCC(NC(=O)[C@@H]2COC3(C[NH2+]C3)CN2)CC1 ZINC001220908911 845432181 /nfs/dbraw/zinc/43/21/81/845432181.db2.gz CQUIEUPAAGHABC-AWEZNQCLSA-N 2 0 352.479 -0.487 20 0 FBADRP CC(C)(C)C(=O)C[NH+]1CCC(NC(=O)[C@H]2COC3(C[NH2+]C3)CN2)CC1 ZINC001220908912 845432338 /nfs/dbraw/zinc/43/23/38/845432338.db2.gz CQUIEUPAAGHABC-CQSZACIVSA-N 2 0 352.479 -0.487 20 0 FBADRP CC(C)(C)C(=O)C[NH+]1CCC(NC(=O)[C@H]([NH3+])CCCNC(N)=O)CC1 ZINC001220909123 845432577 /nfs/dbraw/zinc/43/25/77/845432577.db2.gz LDQONZBZVVVNHK-CYBMUJFWSA-N 2 0 355.483 -0.042 20 0 FBADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001220917375 845434618 /nfs/dbraw/zinc/43/46/18/845434618.db2.gz XSSLDDJQLLWRAT-HNNXBMFYSA-N 2 0 360.524 -0.023 20 0 FBADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001220920612 845435525 /nfs/dbraw/zinc/43/55/25/845435525.db2.gz GJKDEFBPQVGJGB-SCRDCRAPSA-N 2 0 353.467 -0.783 20 0 FBADRP CS(=O)(=O)N1CCC(CNC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC1 ZINC001220924328 845436217 /nfs/dbraw/zinc/43/62/17/845436217.db2.gz QUTHNQQFVAWFMX-AWEZNQCLSA-N 2 0 358.508 -0.352 20 0 FBADRP CS(=O)(=O)N1CCC(CNC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC1 ZINC001220924333 845435937 /nfs/dbraw/zinc/43/59/37/845435937.db2.gz QUTHNQQFVAWFMX-CQSZACIVSA-N 2 0 358.508 -0.352 20 0 FBADRP [NH3+][C@@H](CCCCNC(=O)C(F)(F)F)C(=O)NCCO[C@@H]1CC[NH2+]C1 ZINC001220936329 845440467 /nfs/dbraw/zinc/44/04/67/845440467.db2.gz FBVIOECHTNUJDT-MNOVXSKESA-N 2 0 354.373 -0.343 20 0 FBADRP [NH3+][C@@H](CCCCNC(=O)C(F)(F)F)C(=O)NCCO[C@H]1CC[NH2+]C1 ZINC001220936334 845440682 /nfs/dbraw/zinc/44/06/82/845440682.db2.gz FBVIOECHTNUJDT-QWRGUYRKSA-N 2 0 354.373 -0.343 20 0 FBADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N(c1ccncn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001220940659 845441944 /nfs/dbraw/zinc/44/19/44/845441944.db2.gz DCWGBKQCMCWBON-JOCQHMNTSA-N 2 0 370.479 -0.700 20 0 FBADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC([NH3+])(CC2CCC2)CC1 ZINC001220973397 845451900 /nfs/dbraw/zinc/45/19/00/845451900.db2.gz UXFKCRJOMGWUOY-AAEUAGOBSA-N 2 0 353.467 -0.796 20 0 FBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCCNC(=O)C(F)(F)F)C[C@@H]2O)C1 ZINC001220975948 845453398 /nfs/dbraw/zinc/45/33/98/845453398.db2.gz CCTUKMRTTLRGBV-TUAOUCFPSA-N 2 0 366.384 -0.832 20 0 FBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCCNC(=O)C(F)(F)F)C[C@@H]2O)C1 ZINC001220975949 845453701 /nfs/dbraw/zinc/45/37/01/845453701.db2.gz CCTUKMRTTLRGBV-UTUOFQBUSA-N 2 0 366.384 -0.832 20 0 FBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCCCCn3cncn3)C[C@@H]2O)C1 ZINC001220976078 845453440 /nfs/dbraw/zinc/45/34/40/845453440.db2.gz IKRNCSJBQRTSQW-OAGGEKHMSA-N 2 0 350.467 -0.439 20 0 FBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCCCCn3cncn3)C[C@@H]2O)C1 ZINC001220976079 845452985 /nfs/dbraw/zinc/45/29/85/845452985.db2.gz IKRNCSJBQRTSQW-XHSDSOJGSA-N 2 0 350.467 -0.439 20 0 FBADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCC([NH3+])(c2ccc(F)cc2)CC1 ZINC001220982798 845458689 /nfs/dbraw/zinc/45/86/89/845458689.db2.gz MAQNNHSDWDWLKZ-FZMZJTMJSA-N 2 0 352.410 -0.574 20 0 FBADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N1CCC([NH3+])(c2ccc(F)cc2)CC1 ZINC001220982818 845458174 /nfs/dbraw/zinc/45/81/74/845458174.db2.gz NEPZLHDWDWZEFZ-UHFFFAOYSA-N 2 0 372.466 -0.178 20 0 FBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1O ZINC001220985658 845458363 /nfs/dbraw/zinc/45/83/63/845458363.db2.gz AIHQZWLLWHVCCV-OIISXLGYSA-N 2 0 355.479 -0.457 20 0 FBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1O ZINC001220985659 845458435 /nfs/dbraw/zinc/45/84/35/845458435.db2.gz AIHQZWLLWHVCCV-UAGQMJEPSA-N 2 0 355.479 -0.457 20 0 FBADRP CC(C)OCCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220985694 845458830 /nfs/dbraw/zinc/45/88/30/845458830.db2.gz BQMZZDJTANVQIS-BBWFWOEESA-N 2 0 357.495 -0.069 20 0 FBADRP CC(C)OCCC[N@H+]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220985695 845458056 /nfs/dbraw/zinc/45/80/56/845458056.db2.gz BQMZZDJTANVQIS-ZACQAIPSSA-N 2 0 357.495 -0.069 20 0 FBADRP COCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220985743 845458295 /nfs/dbraw/zinc/45/82/95/845458295.db2.gz DSISLCBOKDILOH-BBWFWOEESA-N 2 0 357.495 -0.067 20 0 FBADRP COCCCCC[N@H+]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220985744 845458778 /nfs/dbraw/zinc/45/87/78/845458778.db2.gz DSISLCBOKDILOH-ZACQAIPSSA-N 2 0 357.495 -0.067 20 0 FBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NCc1cccc(N2CCOCC2=O)c1 ZINC001220990790 845462578 /nfs/dbraw/zinc/46/25/78/845462578.db2.gz ZFFMCOMARXOJIV-AWEZNQCLSA-N 2 0 352.460 -0.315 20 0 FBADRP O=C(N[C@H]1CC[C@H](NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CC1)[C@@H]1CCCO1 ZINC001221003703 845471842 /nfs/dbraw/zinc/47/18/42/845471842.db2.gz DYCPBYXQCVURJC-AJNGGQMLSA-N 2 0 350.463 -0.482 20 0 FBADRP O=C(N[C@H]1CC[C@H](NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CC1)[C@@H]1CCCO1 ZINC001221003704 845472551 /nfs/dbraw/zinc/47/25/51/845472551.db2.gz DYCPBYXQCVURJC-TUVASFSCSA-N 2 0 350.463 -0.482 20 0 FBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2CCCO2)CC1 ZINC001221004613 845473264 /nfs/dbraw/zinc/47/32/64/845473264.db2.gz PUXLBADOYIULJJ-XUXIUFHCSA-N 2 0 358.508 -0.272 20 0 FBADRP C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CC1 ZINC001221006482 845475664 /nfs/dbraw/zinc/47/56/64/845475664.db2.gz IAWKYITXVUGACY-ATNYBXOESA-N 3 0 351.495 -0.709 20 0 FBADRP C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]([NH3+])C2CCC(O)CC2)CC1 ZINC001221006618 845475192 /nfs/dbraw/zinc/47/51/92/845475192.db2.gz KDNBCDQVIBJKMV-DUBHMAKCSA-N 2 0 354.495 -0.030 20 0 FBADRP C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@@H]3CC[NH2+]C[C@H]3O2)CC1 ZINC001221006673 845475443 /nfs/dbraw/zinc/47/54/43/845475443.db2.gz LJPNBOVGPBDQPR-UVPYHEFZSA-N 2 0 352.479 -0.141 20 0 FBADRP Cn1cncc1C[C@H]([NH3+])C(=O)N[C@H]1CC[C@H](NC(=O)C[NH+](C)C)CC1 ZINC001221006679 845475282 /nfs/dbraw/zinc/47/52/82/845475282.db2.gz LMOIBPZCKIRXPR-YDHLFZDLSA-N 2 0 350.467 -0.605 20 0 FBADRP C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2CCCN2C(=O)C[NH3+])CC1 ZINC001221006957 845475143 /nfs/dbraw/zinc/47/51/43/845475143.db2.gz PLTLWBKUMWTFNY-IHRRRGAJSA-N 2 0 353.467 -0.959 20 0 FBADRP CC(C)C(=O)N[C@H]1CC[C@H](NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CC1 ZINC001221008426 845476287 /nfs/dbraw/zinc/47/62/87/845476287.db2.gz SOTFCWHCIFPNOZ-BZUAXINKSA-N 2 0 353.511 -0.064 20 0 FBADRP CC(C)C(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)CC1 ZINC001221008432 845476648 /nfs/dbraw/zinc/47/66/48/845476648.db2.gz SOTFCWHCIFPNOZ-JYJNAYRXSA-N 2 0 353.511 -0.064 20 0 FBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCCc1nncs1 ZINC001221012866 845478258 /nfs/dbraw/zinc/47/82/58/845478258.db2.gz CVVQKTLWGGAGSD-RYUDHWBXSA-N 2 0 354.480 -0.356 20 0 FBADRP COCCC1(NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CCS(=O)(=O)CC1 ZINC001221025869 845481311 /nfs/dbraw/zinc/48/13/11/845481311.db2.gz KNDJYQXXBMQNPU-AWEZNQCLSA-N 2 0 373.519 -0.039 20 0 FBADRP COCCC1(NC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CCS(=O)(=O)CC1 ZINC001221025870 845480752 /nfs/dbraw/zinc/48/07/52/845480752.db2.gz KNDJYQXXBMQNPU-CQSZACIVSA-N 2 0 373.519 -0.039 20 0 FBADRP COCCC1(NC(=O)[C@@H]([NH3+])CSCC[NH3+])CCS(=O)(=O)CC1 ZINC001221026134 845480738 /nfs/dbraw/zinc/48/07/38/845480738.db2.gz QMZHSWBNSISICR-NSHDSACASA-N 2 0 353.510 -0.894 20 0 FBADRP COCCC1(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CCS(=O)(=O)CC1 ZINC001221026156 845480619 /nfs/dbraw/zinc/48/06/19/845480619.db2.gz RCRXDSIHKTZMGK-CZUORRHYSA-N 2 0 359.492 -0.714 20 0 FBADRP [NH3+]CCC[C@H]([NH3+])C(=O)NC1(Cc2cccnc2)CCS(=O)(=O)CC1 ZINC001221028379 845482382 /nfs/dbraw/zinc/48/23/82/845482382.db2.gz OQJZUJSPMATQAJ-AWEZNQCLSA-N 2 0 354.476 -0.246 20 0 FBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NC1(Cc2cccnc2)CCS(=O)(=O)CC1 ZINC001221028380 845482626 /nfs/dbraw/zinc/48/26/26/845482626.db2.gz OQJZUJSPMATQAJ-CQSZACIVSA-N 2 0 354.476 -0.246 20 0 FBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N[C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001221056692 845485272 /nfs/dbraw/zinc/48/52/72/845485272.db2.gz YCMLSFYIWNMWLL-BRWVUGGUSA-N 3 0 353.511 -0.504 20 0 FBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N[C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001221056697 845484628 /nfs/dbraw/zinc/48/46/28/845484628.db2.gz YCMLSFYIWNMWLL-ULQDDVLXSA-N 3 0 353.511 -0.504 20 0 FBADRP COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H](O)C1 ZINC001221062469 845488551 /nfs/dbraw/zinc/48/85/51/845488551.db2.gz QVOARRCJMBDRJQ-BBWFWOEESA-N 2 0 351.447 -0.470 20 0 FBADRP COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H](O)C1 ZINC001221062470 845487641 /nfs/dbraw/zinc/48/76/41/845487641.db2.gz QVOARRCJMBDRJQ-ZACQAIPSSA-N 2 0 351.447 -0.470 20 0 FBADRP CS(=O)(=O)N(CC[NH3+])CC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001221062953 845489297 /nfs/dbraw/zinc/48/92/97/845489297.db2.gz GSFMCUBJLZIXTL-INIZCTEOSA-N 2 0 368.503 -0.013 20 0 FBADRP CCC(CC)[C@@H](NC(=O)[C@@H]([NH3+])[C@@H](C)O)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221067576 845490967 /nfs/dbraw/zinc/49/09/67/845490967.db2.gz AQOIPCRFQVOQOV-FQNUTEJFSA-N 2 0 359.467 -0.887 20 0 FBADRP CCC(CC)[C@@H](NC(=O)[C@@](C)([NH3+])CO)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221067738 845490891 /nfs/dbraw/zinc/49/08/91/845490891.db2.gz ISFUWSBLJWKJNG-UJNKEFAKSA-N 2 0 359.467 -0.886 20 0 FBADRP CCC(CC)[C@@H](NC(=O)C[C@@H](O)C[NH3+])[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221068018 845490938 /nfs/dbraw/zinc/49/09/38/845490938.db2.gz QCGYCNITDRINOA-MSLYRXCPSA-N 2 0 359.467 -0.886 20 0 FBADRP CCC(CC)[C@@H](NC(=O)C[C@H](O)C[NH3+])[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221068019 845491095 /nfs/dbraw/zinc/49/10/95/845491095.db2.gz QCGYCNITDRINOA-YPHJTZHRSA-N 2 0 359.467 -0.886 20 0 FBADRP CCC(CC)[C@@H](NC(=O)C[C@H]([NH3+])CO)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221069965 845492456 /nfs/dbraw/zinc/49/24/56/845492456.db2.gz AEDFFVIOWBYURR-YPHJTZHRSA-N 2 0 359.467 -0.886 20 0 FBADRP CCC(CC)[C@@H](NC(=O)[C@@H](N)CC[NH3+])[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221070205 845491834 /nfs/dbraw/zinc/49/18/34/845491834.db2.gz JLZGUYUKNMBAMZ-BBZRCZKMSA-N 2 0 358.483 -0.919 20 0 FBADRP CCC(CC)[C@@H](NC(=O)[C@@H]([NH3+])COC)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221070582 845492393 /nfs/dbraw/zinc/49/23/93/845492393.db2.gz XUJBGTLTKRXMKZ-XWSJDDSLSA-N 2 0 359.467 -0.622 20 0 FBADRP CCC(CC)[C@@H](NC(=O)[C@H](C[NH3+])OC)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221072489 845492406 /nfs/dbraw/zinc/49/24/06/845492406.db2.gz FOGLCYNLIBRFNB-XWSJDDSLSA-N 2 0 359.467 -0.622 20 0 FBADRP COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H](O)C1 ZINC001221077571 845496448 /nfs/dbraw/zinc/49/64/48/845496448.db2.gz PKOSPTHECQMVQJ-OIISXLGYSA-N 2 0 351.447 -0.470 20 0 FBADRP COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H](O)C1 ZINC001221077573 845496557 /nfs/dbraw/zinc/49/65/57/845496557.db2.gz PKOSPTHECQMVQJ-UAGQMJEPSA-N 2 0 351.447 -0.470 20 0 FBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)COCC(F)(F)F)C[C@@H]1O ZINC001221089461 845501485 /nfs/dbraw/zinc/50/14/85/845501485.db2.gz GMMQOELBGDNMGX-UPJWGTAASA-N 2 0 371.400 -0.572 20 0 FBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)COCC(F)(F)F)C[C@@H]1O ZINC001221089462 845501217 /nfs/dbraw/zinc/50/12/17/845501217.db2.gz GMMQOELBGDNMGX-XQQFMLRXSA-N 2 0 371.400 -0.572 20 0 FBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCCCCn2cncn2)C[C@@H]1O ZINC001221091861 845503073 /nfs/dbraw/zinc/50/30/73/845503073.db2.gz YOBPCRZSEWHLIR-CVEARBPZSA-N 2 0 352.483 -0.050 20 0 FBADRP CC(=O)NCSC[C@H]([NH3+])C(=O)NCC1(c2ccccn2)CC[NH2+]CC1 ZINC001221113947 845514029 /nfs/dbraw/zinc/51/40/29/845514029.db2.gz HBWREMYFTAIJBL-AWEZNQCLSA-N 2 0 365.503 -0.027 20 0 FBADRP CS(=O)(=O)N(CC[NH3+])CC(=O)NCC1(c2ccccn2)CC[NH2+]CC1 ZINC001221114066 845513624 /nfs/dbraw/zinc/51/36/24/845513624.db2.gz LUNFMTIJVJKYSB-UHFFFAOYSA-N 2 0 369.491 -0.961 20 0 FBADRP O=C(NC1(c2cccnc2)CC[NH2+]CC1)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001221121832 845515238 /nfs/dbraw/zinc/51/52/38/845515238.db2.gz TXXSXQHKSRUZJK-AWEZNQCLSA-N 2 0 364.471 -0.447 20 0 FBADRP O=C(NC1(c2cccnc2)CC[NH2+]CC1)[C@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001221121833 845515002 /nfs/dbraw/zinc/51/50/02/845515002.db2.gz TXXSXQHKSRUZJK-CQSZACIVSA-N 2 0 364.471 -0.447 20 0 FBADRP CC(=O)NCSC[C@H]([NH3+])C(=O)NC1(c2cccnc2)CC[NH2+]CC1 ZINC001221123774 845514964 /nfs/dbraw/zinc/51/49/64/845514964.db2.gz JFPUVIOVUDBFHK-AWEZNQCLSA-N 2 0 351.476 -0.069 20 0 FBADRP CS(=O)(=O)N(CC[NH3+])CC(=O)NCC1(CC2CCC2)CC[NH2+]CC1 ZINC001221129096 845516568 /nfs/dbraw/zinc/51/65/68/845516568.db2.gz VAGHPKLWYPHOKG-UHFFFAOYSA-N 2 0 360.524 -0.117 20 0 FBADRP COCCC1([NH3+])CCN(C(=O)[C@@H]2C[NH2+]CC23CCS(=O)(=O)CC3)CC1 ZINC001221134238 845517472 /nfs/dbraw/zinc/51/74/72/845517472.db2.gz RELCATPYTVSAKX-AWEZNQCLSA-N 2 0 373.519 -0.243 20 0 FBADRP COCCC1([NH3+])CCN(C(=O)[C@H]2C[NH2+]CC23CCS(=O)(=O)CC3)CC1 ZINC001221134239 845517346 /nfs/dbraw/zinc/51/73/46/845517346.db2.gz RELCATPYTVSAKX-CQSZACIVSA-N 2 0 373.519 -0.243 20 0 FBADRP COCCC1([NH3+])CCN(C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)CC1 ZINC001221136161 845519186 /nfs/dbraw/zinc/51/91/86/845519186.db2.gz LBKPHSCOTYYGSK-ZDUSSCGKSA-N 2 0 358.483 -0.399 20 0 FBADRP O=C(NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1)[C@@H]1CC[NH2+]C[C@@H]1F ZINC001221148554 845524485 /nfs/dbraw/zinc/52/44/85/845524485.db2.gz GDEWWNOZXUSNAV-CABCVRRESA-N 2 0 370.450 -0.120 20 0 FBADRP O=C(NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1)[C@H]1CC[NH2+]C[C@@H]1F ZINC001221148555 845524278 /nfs/dbraw/zinc/52/42/78/845524278.db2.gz GDEWWNOZXUSNAV-GJZGRUSLSA-N 2 0 370.450 -0.120 20 0 FBADRP O=C(NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1)[C@@H]1CC[NH2+]C[C@H]1F ZINC001221148556 845524352 /nfs/dbraw/zinc/52/43/52/845524352.db2.gz GDEWWNOZXUSNAV-HUUCEWRRSA-N 2 0 370.450 -0.120 20 0 FBADRP O=C(NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1)[C@H]1CC[NH2+]C[C@H]1F ZINC001221148557 845524044 /nfs/dbraw/zinc/52/40/44/845524044.db2.gz GDEWWNOZXUSNAV-LSDHHAIUSA-N 2 0 370.450 -0.120 20 0 FBADRP O=C(NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001221148654 845524580 /nfs/dbraw/zinc/52/45/80/845524580.db2.gz JXFPWDYVIKAEAX-FICVDOATSA-N 2 0 350.444 -0.602 20 0 FBADRP NC1(C(=O)NCc2cc(N3CCS(=O)(=O)CC3)cc[nH+]2)CC[NH2+]CC1 ZINC001221148759 845524313 /nfs/dbraw/zinc/52/43/13/845524313.db2.gz NZBWVZXHWDHCBD-UHFFFAOYSA-N 2 0 367.475 -0.987 20 0 FBADRP O=C(NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1)C1CC[NH2+]CC1 ZINC001221148794 845524371 /nfs/dbraw/zinc/52/43/71/845524371.db2.gz PJOQWKJOZKPJCK-UHFFFAOYSA-N 2 0 352.460 -0.068 20 0 FBADRP N[C@@]1(C(=O)NCc2cc(N3CCS(=O)(=O)CC3)cc[nH+]2)CCC[NH2+]C1 ZINC001221148823 845524437 /nfs/dbraw/zinc/52/44/37/845524437.db2.gz QDZNKCYGMISBMP-INIZCTEOSA-N 2 0 367.475 -0.987 20 0 FBADRP N[C@]1(C(=O)NCc2cc(N3CCS(=O)(=O)CC3)cc[nH+]2)CCC[NH2+]C1 ZINC001221148824 845524496 /nfs/dbraw/zinc/52/44/96/845524496.db2.gz QDZNKCYGMISBMP-MRXNPFEDSA-N 2 0 367.475 -0.987 20 0 FBADRP [NH3+][C@@H](CC(F)F)C(=O)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC001221148884 845524425 /nfs/dbraw/zinc/52/44/25/845524425.db2.gz SHFUIMDHZHLPJW-LBPRGKRZSA-N 2 0 362.402 -0.085 20 0 FBADRP O=C(NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1)C1CC2(C[NH2+]C2)C1 ZINC001221148886 845524530 /nfs/dbraw/zinc/52/45/30/845524530.db2.gz SIXCBWMMASNTSY-UHFFFAOYSA-N 2 0 364.471 -0.068 20 0 FBADRP O=C(C[C@H]1COCC[NH2+]1)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC001221148895 845524026 /nfs/dbraw/zinc/52/40/26/845524026.db2.gz SPGCEGMLUHLWIM-AWEZNQCLSA-N 2 0 368.459 -0.689 20 0 FBADRP O=C(C[C@@H]1COCC[NH2+]1)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC001221148896 845524379 /nfs/dbraw/zinc/52/43/79/845524379.db2.gz SPGCEGMLUHLWIM-CQSZACIVSA-N 2 0 368.459 -0.689 20 0 FBADRP C[C@]1(C(=O)NCc2cc(N3CCS(=O)(=O)CC3)cc[nH+]2)CC[NH2+]C1 ZINC001221148902 845524102 /nfs/dbraw/zinc/52/41/02/845524102.db2.gz SWLDYXUFUQWATI-INIZCTEOSA-N 2 0 352.460 -0.068 20 0 FBADRP C[C@@]1(C(=O)NCc2cc(N3CCS(=O)(=O)CC3)cc[nH+]2)CC[NH2+]C1 ZINC001221148903 845524218 /nfs/dbraw/zinc/52/42/18/845524218.db2.gz SWLDYXUFUQWATI-MRXNPFEDSA-N 2 0 352.460 -0.068 20 0 FBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC001221149096 845524268 /nfs/dbraw/zinc/52/42/68/845524268.db2.gz WZZXWFUWLRKNMW-HNNXBMFYSA-N 3 0 369.491 -0.611 20 0 FBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NCc1ccc(N2CCCNC2=O)nc1 ZINC001221153690 845527161 /nfs/dbraw/zinc/52/71/61/845527161.db2.gz OSVCTHKOMQKBBD-LBPRGKRZSA-N 2 0 352.464 -0.363 20 0 FBADRP CC(C)CN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])[C@H]1CC[C@H]([NH3+])CC1 ZINC001221188018 845542008 /nfs/dbraw/zinc/54/20/08/845542008.db2.gz MNUJGIHRQRTSNF-XUXIUFHCSA-N 2 0 355.483 -0.552 20 0 FBADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@H](Cc1ccccc1)NC(=O)C[NH3+] ZINC001221190408 845543344 /nfs/dbraw/zinc/54/33/44/845543344.db2.gz MJWUCHXIAYENIA-KBPBESRZSA-N 2 0 350.419 -0.931 20 0 FBADRP COC(=O)[C@H](CCC[NH3+])NC(=O)CNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC001221190700 845543318 /nfs/dbraw/zinc/54/33/18/845543318.db2.gz YVFHASKJPVNAMV-KBPBESRZSA-N 2 0 350.419 -0.931 20 0 FBADRP CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+])C(N)=O ZINC001221234379 845553386 /nfs/dbraw/zinc/55/33/86/845553386.db2.gz GJINZANMRKIJOH-IHRRRGAJSA-N 2 0 355.483 -0.406 20 0 FBADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N[C@@]1(C)CCC[N@H+](C)C1 ZINC001221243085 845553563 /nfs/dbraw/zinc/55/35/63/845553563.db2.gz DNRMUJGQUNDMNH-DCGLDWPTSA-N 2 0 353.467 -0.959 20 0 FBADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N[C@]1(C)CCC[N@H+](C)C1 ZINC001221243086 845553938 /nfs/dbraw/zinc/55/39/38/845553938.db2.gz DNRMUJGQUNDMNH-GDZNZVCISA-N 2 0 353.467 -0.959 20 0 FBADRP COC(=O)[C@H]1C2CCC(CC2)[C@@H]1NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001221246328 845555125 /nfs/dbraw/zinc/55/51/25/845555125.db2.gz XYWNNQBHQGFJAV-IATVMINOSA-N 2 0 352.479 -0.169 20 0 FBADRP COC(=O)[C@H]1C2CCC(CC2)[C@@H]1NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001221246329 845555481 /nfs/dbraw/zinc/55/54/81/845555481.db2.gz XYWNNQBHQGFJAV-ZHEFKQADSA-N 2 0 352.479 -0.169 20 0 FBADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)NC[C@]1(CC2CC2)CCC[NH2+]1)C(N)=O ZINC001221250539 845555149 /nfs/dbraw/zinc/55/51/49/845555149.db2.gz NTROEZKOTMWFDX-XTQGRXLLSA-N 2 0 353.467 -0.878 20 0 FBADRP C[C@@H]([NH3+])c1cc(F)c(N(C(=O)C[C@H](O)C[NH3+])S(C)(=O)=O)c(F)c1 ZINC001221260794 845558465 /nfs/dbraw/zinc/55/84/65/845558465.db2.gz XJWNZHMAVOPSET-APPZFPTMSA-N 2 0 351.375 -0.013 20 0 FBADRP C[C@@H]([NH3+])c1cc(F)c(N(C(=O)C[C@@H](O)C[NH3+])S(C)(=O)=O)c(F)c1 ZINC001221260807 845558405 /nfs/dbraw/zinc/55/84/05/845558405.db2.gz XJWNZHMAVOPSET-VXNVDRBHSA-N 2 0 351.375 -0.013 20 0 FBADRP C[C@@H]([NH3+])c1cc(F)c(N(C(=O)[C@H]2C[NH2+]C[C@@H]2N)S(C)(=O)=O)c(F)c1 ZINC001221262369 845558783 /nfs/dbraw/zinc/55/87/83/845558783.db2.gz ABUBKRJBKVHQFC-FDOIEUKUSA-N 2 0 362.402 -0.176 20 0 FBADRP C[C@@H]([NH3+])c1cc(F)c(N(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)S(C)(=O)=O)c(F)c1 ZINC001221262642 845558948 /nfs/dbraw/zinc/55/89/48/845558948.db2.gz LJTJZUORSFNBTA-FDOIEUKUSA-N 2 0 363.386 0.000 20 0 FBADRP C[C@@H]([NH3+])c1cc(F)c(N(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)S(C)(=O)=O)c(F)c1 ZINC001221262643 845557919 /nfs/dbraw/zinc/55/79/19/845557919.db2.gz LJTJZUORSFNBTA-JWKOBGCHSA-N 2 0 363.386 0.000 20 0 FBADRP C[C@@H]([NH3+])c1cc(F)c(N(C(=O)CNCC[NH3+])S(C)(=O)=O)c(F)c1 ZINC001221262671 845558653 /nfs/dbraw/zinc/55/86/53/845558653.db2.gz MIQKWCKRDWZTBC-MRVPVSSYSA-N 2 0 350.391 -0.175 20 0 FBADRP C[C@@H]([NH3+])c1cc(F)c(N(C(=O)[C@@H]2C[C@H]([NH3+])CN2)S(C)(=O)=O)c(F)c1 ZINC001221262701 845558544 /nfs/dbraw/zinc/55/85/44/845558544.db2.gz NEZUCEMYQHCEDC-FDOIEUKUSA-N 2 0 362.402 -0.034 20 0 FBADRP C[C@@H]([NH3+])c1cc(F)c(N(C(=O)[C@@H]2C[C@@H]([NH3+])CN2)S(C)(=O)=O)c(F)c1 ZINC001221262702 845559003 /nfs/dbraw/zinc/55/90/03/845559003.db2.gz NEZUCEMYQHCEDC-GMEUVTARSA-N 2 0 362.402 -0.034 20 0 FBADRP C[C@@H]([NH3+])c1cc(F)c(N(C(=O)[C@H]2C[NH2+]C[C@@H]2O)S(C)(=O)=O)c(F)c1 ZINC001221262720 845558629 /nfs/dbraw/zinc/55/86/29/845558629.db2.gz NOXAGZHREUBSFW-FDOIEUKUSA-N 2 0 363.386 -0.143 20 0 FBADRP C[C@@H]([NH3+])c1cc(F)c(N(C(=O)[C@@H]2C[NH2+]C[C@@H]2O)S(C)(=O)=O)c(F)c1 ZINC001221262721 845557967 /nfs/dbraw/zinc/55/79/67/845557967.db2.gz NOXAGZHREUBSFW-GMEUVTARSA-N 2 0 363.386 -0.143 20 0 FBADRP C[C@@H]([NH3+])c1cc(F)c(N(C(=O)[C@@H]2C[NH2+]C[C@H]2O)S(C)(=O)=O)c(F)c1 ZINC001221262722 845558374 /nfs/dbraw/zinc/55/83/74/845558374.db2.gz NOXAGZHREUBSFW-JWKOBGCHSA-N 2 0 363.386 -0.143 20 0 FBADRP C[C@@H]([NH3+])c1cc(F)c(N(C(=O)[C@H]2C[NH2+]C[C@H]2O)S(C)(=O)=O)c(F)c1 ZINC001221262723 845558691 /nfs/dbraw/zinc/55/86/91/845558691.db2.gz NOXAGZHREUBSFW-VFWDIBGWSA-N 2 0 363.386 -0.143 20 0 FBADRP C[C@@H]([NH3+])c1cc(F)c(N(C(=O)[C@]2(N)CC[NH2+]C2)S(C)(=O)=O)c(F)c1 ZINC001221262844 845558498 /nfs/dbraw/zinc/55/84/98/845558498.db2.gz RDQQSVVMEZWCFR-CLAHSXSESA-N 2 0 362.402 -0.032 20 0 FBADRP C[C@@H]([NH3+])c1cc(F)c(N(C(=O)[C@@]2(N)CC[NH2+]C2)S(C)(=O)=O)c(F)c1 ZINC001221262845 845558190 /nfs/dbraw/zinc/55/81/90/845558190.db2.gz RDQQSVVMEZWCFR-XLKFXECMSA-N 2 0 362.402 -0.032 20 0 FBADRP C[C@@H]([NH3+])c1cc(F)c(N(C(=O)[C@@H](N)CC[NH3+])S(C)(=O)=O)c(F)c1 ZINC001221262850 845558011 /nfs/dbraw/zinc/55/80/11/845558011.db2.gz RKVHDOFVJPDPEQ-HQJQHLMTSA-N 2 0 350.391 -0.047 20 0 FBADRP C[C@@H]([NH3+])c1cc(F)c(N(C(=O)[C@H]2[NH2+]CC[C@@H]2O)S(C)(=O)=O)c(F)c1 ZINC001221262907 845558593 /nfs/dbraw/zinc/55/85/93/845558593.db2.gz UNJJJXUJNNNRJJ-MKCWBWRRSA-N 2 0 363.386 0.000 20 0 FBADRP C[C@@H]([NH3+])c1cc(F)c(N(C(=O)[C@@H]2C[NH2+]CCN2)S(C)(=O)=O)c(F)c1 ZINC001221263020 845558359 /nfs/dbraw/zinc/55/83/59/845558359.db2.gz YEIVBMHQASSCDJ-PELKAZGASA-N 2 0 362.402 -0.162 20 0 FBADRP C[C@@H]([NH3+])c1cc(F)c(N(C(=O)[C@H]2C[NH2+]CCN2)S(C)(=O)=O)c(F)c1 ZINC001221263021 845558666 /nfs/dbraw/zinc/55/86/66/845558666.db2.gz YEIVBMHQASSCDJ-PRHODGIISA-N 2 0 362.402 -0.162 20 0 FBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H]1CCCNC(=O)C1 ZINC001221269836 845559647 /nfs/dbraw/zinc/55/96/47/845559647.db2.gz YYYCNGZHOIMSFQ-IHRRRGAJSA-N 2 0 353.467 -0.781 20 0 FBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCNC(=O)C1 ZINC001221269837 845559671 /nfs/dbraw/zinc/55/96/71/845559671.db2.gz YYYCNGZHOIMSFQ-RDBSUJKOSA-N 2 0 353.467 -0.781 20 0 FBADRP Cc1cnc(NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])c(=O)[nH]1 ZINC001221327581 845568022 /nfs/dbraw/zinc/56/80/22/845568022.db2.gz ADKILDRXYHALHB-RYUDHWBXSA-N 2 0 350.423 -0.536 20 0 FBADRP NC(=[NH2+])N(CCC[C@H]([NH3+])C(=O)SCc1ccccc1)C(=O)[C@@H](N)C[NH3+] ZINC001221339835 845568116 /nfs/dbraw/zinc/56/81/16/845568116.db2.gz AJMBTFMOOBTTCN-STQMWFEESA-N 3 0 366.491 -0.438 20 0 FBADRP NC(=[NH2+])N(CCC[C@H]([NH3+])C(=O)SCc1ccccc1)C(=O)[C@@H](O)C[NH3+] ZINC001221340883 845569588 /nfs/dbraw/zinc/56/95/88/845569588.db2.gz IUFDJFWCXYWVID-STQMWFEESA-N 3 0 367.475 -0.404 20 0 FBADRP C[C@H](NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1)C(=O)N[C@@H](C)C(=O)OC(C)(C)C ZINC001221349531 845569536 /nfs/dbraw/zinc/56/95/36/845569536.db2.gz CSRQITJMBDKNOS-GMXVVIOVSA-N 2 0 356.467 -0.336 20 0 FBADRP C[C@H](NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)C(=O)N[C@@H](C)C(=O)OC(C)(C)C ZINC001221349534 845568985 /nfs/dbraw/zinc/56/89/85/845568985.db2.gz CSRQITJMBDKNOS-GVXVVHGQSA-N 2 0 356.467 -0.336 20 0 FBADRP C[C@H](NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)C(=O)N[C@@H](C)C(=O)OC(C)(C)C ZINC001221350634 845569370 /nfs/dbraw/zinc/56/93/70/845569370.db2.gz WGUWMKFVICIUSC-SDDRHHMPSA-N 2 0 354.451 -0.854 20 0 FBADRP C[C@H](NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)C(=O)N[C@@H](C)C(=O)OC(C)(C)C ZINC001221350635 845568777 /nfs/dbraw/zinc/56/87/77/845568777.db2.gz WGUWMKFVICIUSC-SRVKXCTJSA-N 2 0 354.451 -0.854 20 0 FBADRP C[C@H](NC(=O)[C@@H]([NH3+])CSCC[NH3+])C(=O)N[C@@H](C)C(=O)OC(C)(C)C ZINC001221350741 845568923 /nfs/dbraw/zinc/56/89/23/845568923.db2.gz XLAUVOYZCHWSTE-DCAQKATOSA-N 2 0 362.496 -0.643 20 0 FBADRP COC(=O)[C@H](Cc1ccc(Br)cn1)NC(=O)C[NH2+]CCC[NH3+] ZINC001221364256 845570606 /nfs/dbraw/zinc/57/06/06/845570606.db2.gz SXJYJNONTBPAOO-LBPRGKRZSA-N 2 0 373.251 -0.017 20 0 FBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H]1C[NH2+]CC[C@H]1F ZINC001221368057 845570674 /nfs/dbraw/zinc/57/06/74/845570674.db2.gz WJFVNBPNIPQOLA-RQJABVFESA-N 2 0 358.458 -0.064 20 0 FBADRP Cc1noc(C)c1S(=O)(=O)N(CC1([NH3+])CCCCC1)C(=O)[C@@H](N)C[NH3+] ZINC001221382779 845572124 /nfs/dbraw/zinc/57/21/24/845572124.db2.gz HNCMWNHPQYRMAI-LBPRGKRZSA-N 2 0 373.479 -0.244 20 0 FBADRP NC1=CC=C(C2CCN(C(=O)[C@@H]3CCS(=O)(=O)C34C[NH2+]C4)CC2)[NH2+]C1 ZINC001221390578 845572882 /nfs/dbraw/zinc/57/28/82/845572882.db2.gz GFYCVMWHEAUUAW-AWEZNQCLSA-N 2 0 366.487 -0.669 20 0 FBADRP NC1=CC=C(C2CCN(C(=O)[C@H]3CCS(=O)(=O)C34C[NH2+]C4)CC2)[NH2+]C1 ZINC001221390579 845572981 /nfs/dbraw/zinc/57/29/81/845572981.db2.gz GFYCVMWHEAUUAW-CQSZACIVSA-N 2 0 366.487 -0.669 20 0 FBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)CNC(=O)[C@@H](N)COC(C)(C)C ZINC001221391261 845573012 /nfs/dbraw/zinc/57/30/12/845573012.db2.gz LAOTWVRKMDWKSZ-LBPRGKRZSA-N 2 0 358.487 -0.691 20 0 FBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H]1COC(C)(C)N1C(=O)[C@H](C)[NH3+] ZINC001221391384 845573278 /nfs/dbraw/zinc/57/32/78/845573278.db2.gz MHYDHRJQHUGBRC-RYUDHWBXSA-N 3 0 356.471 -0.639 20 0 FBADRP CCN(CC)CCN(C(N)=[NH2+])C(=O)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001221391581 845573398 /nfs/dbraw/zinc/57/33/98/845573398.db2.gz YYKFWMIRVAIDLB-CYBMUJFWSA-N 2 0 373.523 -0.535 20 0 FBADRP CCN(CC)CCN(C(N)=[NH2+])C(=O)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001221391585 845572830 /nfs/dbraw/zinc/57/28/30/845572830.db2.gz YYKFWMIRVAIDLB-ZDUSSCGKSA-N 2 0 373.523 -0.535 20 0 FBADRP CC(=O)NCSC[C@H]([NH3+])C(=O)N1CCC(C2=CC=C(N)C[NH2+]2)CC1 ZINC001221392383 845573678 /nfs/dbraw/zinc/57/36/78/845573678.db2.gz VGKYFYGVWOYXAA-AWEZNQCLSA-N 2 0 353.492 -0.291 20 0 FBADRP CC(C)N(C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(C)(C)C[NH3+] ZINC001221394766 845573713 /nfs/dbraw/zinc/57/37/13/845573713.db2.gz GYVCATUCWNWFCK-STQMWFEESA-N 2 0 355.483 -0.585 20 0 FBADRP CC[NH+](CC)[C@H]1CC[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])CC1 ZINC001221397382 845572998 /nfs/dbraw/zinc/57/29/98/845572998.db2.gz NDOHSDSVFBFYLB-FQUUOJAGSA-N 2 0 355.483 -0.537 20 0 FBADRP Cn1ncc(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)c(Br)c1=O ZINC001221401759 845573660 /nfs/dbraw/zinc/57/36/60/845573660.db2.gz NFUPYUNCXKNBTA-AMIZOPFISA-N 2 0 356.224 -0.320 20 0 FBADRP Cn1ncc(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)c(Br)c1=O ZINC001221401955 845573056 /nfs/dbraw/zinc/57/30/56/845573056.db2.gz RWJYNXZZIPFXRY-SECBINFHSA-N 2 0 373.255 -0.768 20 0 FBADRP Cn1ncc(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)c(Br)c1=O ZINC001221401992 845573549 /nfs/dbraw/zinc/57/35/49/845573549.db2.gz RWJYNXZZIPFXRY-VIFPVBQESA-N 2 0 373.255 -0.768 20 0 FBADRP Cn1ncc(NC(=O)[C@@H]([NH3+])CSCC[NH3+])c(Br)c1=O ZINC001221401997 845573325 /nfs/dbraw/zinc/57/33/25/845573325.db2.gz RZEFPZUPXNFZJK-LURJTMIESA-N 2 0 350.242 -0.500 20 0 FBADRP C[NH+]1CCC(CO)(NC(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F)CC1 ZINC001221404955 845572973 /nfs/dbraw/zinc/57/29/73/845572973.db2.gz NWHKTWJXJOXCKY-NSHDSACASA-N 2 0 368.400 -0.265 20 0 FBADRP COc1cccc([C@H](C[NH3+])NC(=O)[C@@H]2CCS(=O)(=O)C23C[NH2+]C3)c1 ZINC001221407101 845573765 /nfs/dbraw/zinc/57/37/65/845573765.db2.gz XDSDRAKHKRMTQV-KBPBESRZSA-N 2 0 353.444 -0.412 20 0 FBADRP COc1cccc([C@H](C[NH3+])NC(=O)[C@H]2CCS(=O)(=O)C23C[NH2+]C3)c1 ZINC001221407102 845573416 /nfs/dbraw/zinc/57/34/16/845573416.db2.gz XDSDRAKHKRMTQV-KGLIPLIRSA-N 2 0 353.444 -0.412 20 0 FBADRP COc1cccc([C@@H](C[NH3+])NC(=O)[C@@H]2CCS(=O)(=O)C23C[NH2+]C3)c1 ZINC001221407103 845573976 /nfs/dbraw/zinc/57/39/76/845573976.db2.gz XDSDRAKHKRMTQV-UONOGXRCSA-N 2 0 353.444 -0.412 20 0 FBADRP COc1cccc([C@@H](C[NH3+])NC(=O)[C@H]2CCS(=O)(=O)C23C[NH2+]C3)c1 ZINC001221407104 845572938 /nfs/dbraw/zinc/57/29/38/845572938.db2.gz XDSDRAKHKRMTQV-ZIAGYGMSSA-N 2 0 353.444 -0.412 20 0 FBADRP O=C(N[C@@H](C1CCC1)C1C[NH2+]C1)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001221411102 845574037 /nfs/dbraw/zinc/57/40/37/845574037.db2.gz UGVLKTUOJVORCG-CABCVRRESA-N 2 0 355.504 -0.095 20 0 FBADRP O=C(N[C@@H](C1CCC1)C1C[NH2+]C1)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001221411105 845574048 /nfs/dbraw/zinc/57/40/48/845574048.db2.gz UGVLKTUOJVORCG-GJZGRUSLSA-N 2 0 355.504 -0.095 20 0 FBADRP O=C(N[C@H](C1CCC1)C1C[NH2+]C1)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001221411108 845573829 /nfs/dbraw/zinc/57/38/29/845573829.db2.gz UGVLKTUOJVORCG-HUUCEWRRSA-N 2 0 355.504 -0.095 20 0 FBADRP O=C(N[C@H](C1CCC1)C1C[NH2+]C1)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001221411111 845574590 /nfs/dbraw/zinc/57/45/90/845574590.db2.gz UGVLKTUOJVORCG-LSDHHAIUSA-N 2 0 355.504 -0.095 20 0 FBADRP CC(=O)NCCOCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001221445079 845576218 /nfs/dbraw/zinc/57/62/18/845576218.db2.gz ZDGSICNBLIPZOI-BRWVUGGUSA-N 2 0 352.479 -0.234 20 0 FBADRP CC(=O)NCCOCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001221445080 845576879 /nfs/dbraw/zinc/57/68/79/845576879.db2.gz ZDGSICNBLIPZOI-IXDOHACOSA-N 2 0 352.479 -0.234 20 0 FBADRP COCCOC[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001221776950 845648326 /nfs/dbraw/zinc/64/83/26/845648326.db2.gz LNRVGAQHOPGWFU-BRWVUGGUSA-N 2 0 357.495 -0.115 20 0 FBADRP COCCOC[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001221776951 845648254 /nfs/dbraw/zinc/64/82/54/845648254.db2.gz LNRVGAQHOPGWFU-IXDOHACOSA-N 2 0 357.495 -0.115 20 0 FBADRP C[NH+](C)CCCC(=O)N1C[C@H]2CC[N@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001221777147 845647967 /nfs/dbraw/zinc/64/79/67/845647967.db2.gz UQCRFRANIYOREO-ZIAGYGMSSA-N 2 0 351.451 -0.587 20 0 FBADRP C[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](CCCN3C(=O)CNC3=O)C[C@H]21 ZINC001221791315 845652249 /nfs/dbraw/zinc/65/22/49/845652249.db2.gz FXEPERNYMUOZIK-ZIAGYGMSSA-N 2 0 351.451 -0.587 20 0 FBADRP C[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](C[C@H](O)CN3CCCC3=O)C[C@H]21 ZINC001221791361 845652156 /nfs/dbraw/zinc/65/21/56/845652156.db2.gz IETNVACAJAWLCV-OWCLPIDISA-N 2 0 352.479 -0.546 20 0 FBADRP CCS(=O)(=O)NCCC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221791415 845652400 /nfs/dbraw/zinc/65/24/00/845652400.db2.gz KAVGXNFGEVBNKO-HUUCEWRRSA-N 2 0 360.524 -0.200 20 0 FBADRP CN(C)S(=O)(=O)CCC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221791529 845652443 /nfs/dbraw/zinc/65/24/43/845652443.db2.gz QGKDIWYWUPKYNC-HUUCEWRRSA-N 2 0 360.524 -0.248 20 0 FBADRP CC[NH+](CC)CC(=O)N1C[C@H]2CC[N@H+](C[C@@H](O)COCCOC)C[C@H]21 ZINC001221883673 845671294 /nfs/dbraw/zinc/67/12/94/845671294.db2.gz PYPNBIZQOBUZCG-BRWVUGGUSA-N 2 0 357.495 -0.115 20 0 FBADRP CC[NH+](CC)CC(=O)N1C[C@H]2CC[N@H+](C[C@H](O)COCCOC)C[C@H]21 ZINC001221883674 845670735 /nfs/dbraw/zinc/67/07/35/845670735.db2.gz PYPNBIZQOBUZCG-IXDOHACOSA-N 2 0 357.495 -0.115 20 0 FBADRP COC[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221894637 845673203 /nfs/dbraw/zinc/67/32/03/845673203.db2.gz BMEQDKWXOPIZQZ-BFYDXBDKSA-N 2 0 355.479 -0.363 20 0 FBADRP COC[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221894638 845672619 /nfs/dbraw/zinc/67/26/19/845672619.db2.gz BMEQDKWXOPIZQZ-HLLBOEOZSA-N 2 0 355.479 -0.363 20 0 FBADRP C[NH+]1CCC(OCC(=O)N2C[C@H]3CC[N@H+](CCOCCO)C[C@H]32)CC1 ZINC001221895137 845672784 /nfs/dbraw/zinc/67/27/84/845672784.db2.gz XERQUKNIIFQVRW-NVXWUHKLSA-N 2 0 355.479 -0.361 20 0 FBADRP CC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+](C[C@@H](O)COCCOC)C[C@H]21 ZINC001221920744 845678116 /nfs/dbraw/zinc/67/81/16/845678116.db2.gz UNOYDDCPQAIQHG-BRWVUGGUSA-N 2 0 357.495 -0.115 20 0 FBADRP CC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+](C[C@H](O)COCCOC)C[C@H]21 ZINC001221920745 845677687 /nfs/dbraw/zinc/67/76/87/845677687.db2.gz UNOYDDCPQAIQHG-IXDOHACOSA-N 2 0 357.495 -0.115 20 0 FBADRP CC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001221921976 845677320 /nfs/dbraw/zinc/67/73/20/845677320.db2.gz TYVSSRGUUUPZOM-ZIAGYGMSSA-N 2 0 351.451 -0.587 20 0 FBADRP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@H+](CCN3CCCC3=O)C[C@H]21 ZINC001221950449 845684484 /nfs/dbraw/zinc/68/44/84/845684484.db2.gz IOWDRNMGMRLJKG-HZPDHXFCSA-N 2 0 352.479 -0.280 20 0 FBADRP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@H+](CCN3CCNC3=O)C[C@H]21 ZINC001221950680 845684449 /nfs/dbraw/zinc/68/44/49/845684449.db2.gz SPMZKNSBCMAGPY-HUUCEWRRSA-N 2 0 353.467 -0.878 20 0 FBADRP CCC[N@H+](C)CC(=O)N1C[C@H]2CC[NH+](C[C@@H](O)COCCOC)C[C@H]21 ZINC001221972873 845685852 /nfs/dbraw/zinc/68/58/52/845685852.db2.gz NOBBBLGQSNPKNM-BRWVUGGUSA-N 2 0 357.495 -0.115 20 0 FBADRP CCC[N@H+](C)CC(=O)N1C[C@H]2CC[NH+](C[C@H](O)COCCOC)C[C@H]21 ZINC001221972874 845686268 /nfs/dbraw/zinc/68/62/68/845686268.db2.gz NOBBBLGQSNPKNM-IXDOHACOSA-N 2 0 357.495 -0.115 20 0 FBADRP CC(=O)NCCOCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001222013780 845694846 /nfs/dbraw/zinc/69/48/46/845694846.db2.gz LEZOTCUXWFYMHO-BRWVUGGUSA-N 2 0 352.479 -0.377 20 0 FBADRP CC(=O)NCCOCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001222013783 845694444 /nfs/dbraw/zinc/69/44/44/845694444.db2.gz LEZOTCUXWFYMHO-IXDOHACOSA-N 2 0 352.479 -0.377 20 0 FBADRP CC(=O)NCCOCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001222016479 845694553 /nfs/dbraw/zinc/69/45/53/845694553.db2.gz LWEIZSQXCQTAIU-IAGOWNOFSA-N 2 0 352.479 -0.232 20 0 FBADRP COCCOC[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001222016623 845694673 /nfs/dbraw/zinc/69/46/73/845694673.db2.gz SJUUJJQARVUZOC-BRWVUGGUSA-N 2 0 355.479 -0.361 20 0 FBADRP COCCOC[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001222016624 845694412 /nfs/dbraw/zinc/69/44/12/845694412.db2.gz SJUUJJQARVUZOC-IXDOHACOSA-N 2 0 355.479 -0.361 20 0 FBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@H]2CC[N@H+](CCOCCO)C[C@H]21 ZINC001222018114 845694221 /nfs/dbraw/zinc/69/42/21/845694221.db2.gz NVOFLFLJHWAIQU-BRWVUGGUSA-N 2 0 355.479 -0.504 20 0 FBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@H]2CC[N@H+](CCOCCO)C[C@H]21 ZINC001222018115 845695144 /nfs/dbraw/zinc/69/51/44/845695144.db2.gz NVOFLFLJHWAIQU-GVDBMIGSSA-N 2 0 355.479 -0.504 20 0 FBADRP COCCOC[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001222053673 845703873 /nfs/dbraw/zinc/70/38/73/845703873.db2.gz XLLJBLXABAORIY-BRWVUGGUSA-N 2 0 357.495 -0.117 20 0 FBADRP COCCOC[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001222053674 845703897 /nfs/dbraw/zinc/70/38/97/845703897.db2.gz XLLJBLXABAORIY-IXDOHACOSA-N 2 0 357.495 -0.117 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[NH+](CCNS(C)(=O)=O)[C@H]3C2)CC[N@@H+]1C ZINC001222708351 845730633 /nfs/dbraw/zinc/73/06/33/845730633.db2.gz UTRIEMRWQBIBKI-FPCVCCKLSA-N 2 0 372.535 -0.201 20 0 FBADRP C[NH+](C)[C@@H](C(=O)N1CC[C@H]2CCN(CC(=O)NC(N)=O)[C@H]2C1)C1CC1 ZINC001222892374 845737735 /nfs/dbraw/zinc/73/77/35/845737735.db2.gz MWXRVFPZIINIRW-OSAQELSMSA-N 2 0 351.451 -0.556 20 0 FBADRP C[NH+](C)[C@H](C(=O)N1CC[C@H]2CCN(CC(=O)NC(N)=O)[C@H]2C1)C1CC1 ZINC001222892375 845738262 /nfs/dbraw/zinc/73/82/62/845738262.db2.gz MWXRVFPZIINIRW-ZLDLUXBVSA-N 2 0 351.451 -0.556 20 0 FBADRP C[NH+](C)C1(C(=O)N2CC[C@H]3CCN(CC(=O)NC(N)=O)[C@H]3C2)CCC1 ZINC001222892397 845738392 /nfs/dbraw/zinc/73/83/92/845738392.db2.gz NEIBQPNCIWSMHH-OLZOCXBDSA-N 2 0 351.451 -0.412 20 0 FBADRP C[C@@H]1[C@H](C(=O)NCC2CC[NH+](CCNS(C)(=O)=O)CC2)CC[N@@H+]1C ZINC001223239786 845751652 /nfs/dbraw/zinc/75/16/52/845751652.db2.gz NVHCBHFFLBDEIT-UKRRQHHQSA-N 2 0 360.524 -0.296 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)NCC2CC[NH+](CC(=O)NC(N)=O)CC2)CC[N@@H+]1C ZINC001223249565 845751528 /nfs/dbraw/zinc/75/15/28/845751528.db2.gz QDQYTCFIVGXKDG-UONOGXRCSA-N 2 0 353.467 -0.260 20 0 FBADRP C[C@@H](C(=O)NC(N)=O)[NH+]1CCC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001223249909 845751102 /nfs/dbraw/zinc/75/11/02/845751102.db2.gz RFEFSQJRJQLTCC-MBNYWOFBSA-N 2 0 353.467 -0.262 20 0 FBADRP C[C@H](C(=O)NC(N)=O)[NH+]1CCC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001223249910 845750917 /nfs/dbraw/zinc/75/09/17/845750917.db2.gz RFEFSQJRJQLTCC-YRGRVCCFSA-N 2 0 353.467 -0.262 20 0 FBADRP C[NH+](C)CCCC(=O)N1CC[C@H]2CC[N@H+](CCNS(C)(=O)=O)[C@H]2C1 ZINC001223379633 845755851 /nfs/dbraw/zinc/75/58/51/845755851.db2.gz XPCSXNASCDGEND-CABCVRRESA-N 2 0 360.524 -0.200 20 0 FBADRP CCS(=O)(=O)NCC[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001223424918 845757054 /nfs/dbraw/zinc/75/70/54/845757054.db2.gz JIMGQEZOPOFIKB-CABCVRRESA-N 2 0 360.524 -0.200 20 0 FBADRP C[NH+](C)CCC(=O)N1CC[C@H]2CC[N@H+](CCN3C(=O)CNC3=O)[C@H]2C1 ZINC001223425312 845756939 /nfs/dbraw/zinc/75/69/39/845756939.db2.gz RULWYPSXRJMZJW-KGLIPLIRSA-N 2 0 351.451 -0.587 20 0 FBADRP CN(CC[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21)S(C)(=O)=O ZINC001223429954 845756602 /nfs/dbraw/zinc/75/66/02/845756602.db2.gz FFOHANQPRFDVPR-CABCVRRESA-N 2 0 360.524 -0.248 20 0 FBADRP COCCOC[C@@H](O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001223430636 845757332 /nfs/dbraw/zinc/75/73/32/845757332.db2.gz NQFZJDDZWBJTMV-IKGGRYGDSA-N 2 0 357.495 -0.115 20 0 FBADRP COCCOC[C@H](O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001223430637 845756834 /nfs/dbraw/zinc/75/68/34/845756834.db2.gz NQFZJDDZWBJTMV-ZACQAIPSSA-N 2 0 357.495 -0.115 20 0 FBADRP C[NH+](C)CCC(=O)N1CC[C@H]2CC[N@H+](CC(=O)N3CCOCC3)[C@H]2C1 ZINC001223431306 845757111 /nfs/dbraw/zinc/75/71/11/845757111.db2.gz WZCUXJXOVLXIOT-CVEARBPZSA-N 2 0 352.479 -0.280 20 0 FBADRP COC[C@@H](O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CCN3CCOCC3)C[C@@H]21 ZINC001223678714 845764563 /nfs/dbraw/zinc/76/45/63/845764563.db2.gz LFNXPDIIQUJMHV-IKGGRYGDSA-N 2 0 355.479 -0.361 20 0 FBADRP COC[C@H](O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CCN3CCOCC3)C[C@@H]21 ZINC001223678715 845764178 /nfs/dbraw/zinc/76/41/78/845764178.db2.gz LFNXPDIIQUJMHV-ZACQAIPSSA-N 2 0 355.479 -0.361 20 0 FBADRP O=C(CCN1CCOCC1)N1CC[C@H]2CC[N@@H+](CCOCCO)[C@H]2C1 ZINC001223678834 845764443 /nfs/dbraw/zinc/76/44/43/845764443.db2.gz PXVLDLKHSDOQMF-SJORKVTESA-N 2 0 355.479 -0.360 20 0 FBADRP NC(=O)CN1CC[C@@H]2CCN(C(=O)CCCCN3CCOCC3)C[C@@H]21 ZINC001223684954 845764372 /nfs/dbraw/zinc/76/43/72/845764372.db2.gz ZYPNBEPLJQMZND-CVEARBPZSA-N 2 0 352.479 -0.103 20 0 FBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](CCNS(C)(=O)=O)[C@H]2C1 ZINC001223846308 845769760 /nfs/dbraw/zinc/76/97/60/845769760.db2.gz CLHIZFKMHPCQIC-CABCVRRESA-N 2 0 360.524 -0.200 20 0 FBADRP CS(=O)(=O)NCC[N@@H+]1CC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC001223911750 845771227 /nfs/dbraw/zinc/77/12/27/845771227.db2.gz JUNDPSYQCOUYNJ-CABCVRRESA-N 2 0 370.519 -0.446 20 0 FBADRP CCN(C)C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)COCC[NH+](C)C)C[C@@H]21 ZINC001223916262 845771069 /nfs/dbraw/zinc/77/10/69/845771069.db2.gz DLJRKRGWBRFMDO-CVEARBPZSA-N 2 0 354.495 -0.034 20 0 FBADRP C[NH+](C)CCOCC(=O)N1CC[C@H]2CC[N@H+](CC(=O)NC3CC3)[C@H]2C1 ZINC001223916264 845771261 /nfs/dbraw/zinc/77/12/61/845771261.db2.gz DODZQCWGJKETMN-ZBFHGGJFSA-N 2 0 352.479 -0.234 20 0 FBADRP C[NH+](C)CCOCC(=O)N1CC[C@H]2CC[N@H+](CC(=O)N3CCC3)[C@H]2C1 ZINC001223916446 845771773 /nfs/dbraw/zinc/77/17/73/845771773.db2.gz IWLJFGFIRFQGQU-CVEARBPZSA-N 2 0 352.479 -0.280 20 0 FBADRP C[NH+](C)CCOCC(=O)N1CC[C@H]2CC[N@H+](CCn3cncn3)[C@H]2C1 ZINC001223916457 845771245 /nfs/dbraw/zinc/77/12/45/845771245.db2.gz JIRJXCPEEBITMV-CVEARBPZSA-N 2 0 350.467 -0.221 20 0 FBADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3CC[NH+](CCNS(C)(=O)=O)[C@H]3C2)C1 ZINC001224129554 845775320 /nfs/dbraw/zinc/77/53/20/845775320.db2.gz GWGMCUGESBYTIT-ILXRZTDVSA-N 2 0 358.508 -0.590 20 0 FBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3CC[NH+](CCNS(C)(=O)=O)[C@H]3C2)C1 ZINC001224129555 845775231 /nfs/dbraw/zinc/77/52/31/845775231.db2.gz GWGMCUGESBYTIT-KFWWJZLASA-N 2 0 358.508 -0.590 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)NCc2cc(C(N)=O)no2)C[C@H]1C[NH+](C)C ZINC001224669632 845789584 /nfs/dbraw/zinc/78/95/84/845789584.db2.gz BESHJKWBCQALNV-VXGBXAGGSA-N 2 0 352.439 -0.346 20 0 FBADRP CN(CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C)S(C)(=O)=O ZINC001225345585 845802015 /nfs/dbraw/zinc/80/20/15/845802015.db2.gz AVTNCDFQZYMVHN-KFWWJZLASA-N 2 0 360.524 -0.011 20 0 FBADRP CN(CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C)S(C)(=O)=O ZINC001225345588 845801960 /nfs/dbraw/zinc/80/19/60/845801960.db2.gz AVTNCDFQZYMVHN-RBSFLKMASA-N 2 0 360.524 -0.011 20 0 FBADRP NC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001226297386 845821953 /nfs/dbraw/zinc/82/19/53/845821953.db2.gz TWJCPRBFVLAOSH-BFHYXJOUSA-N 2 0 351.451 -0.460 20 0 FBADRP NC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001226297387 845822056 /nfs/dbraw/zinc/82/20/56/845822056.db2.gz TWJCPRBFVLAOSH-MGPQQGTHSA-N 2 0 351.451 -0.460 20 0 FBADRP CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001226316453 845822673 /nfs/dbraw/zinc/82/26/73/845822673.db2.gz RDEHNOPNWGHYFI-ZIAGYGMSSA-N 2 0 350.467 -0.179 20 0 FBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001226323696 845822629 /nfs/dbraw/zinc/82/26/29/845822629.db2.gz QJGFKFSKWYTNSL-AAVRWANBSA-N 2 0 353.467 -0.201 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC(N)=O)CC[N@@H+]1C ZINC001226332952 845823170 /nfs/dbraw/zinc/82/31/70/845823170.db2.gz CRJCXLYWHWGZNQ-REWJHTLYSA-N 2 0 353.467 -0.071 20 0 FBADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCNS(C)(=O)=O)CC[N@@H+]1C ZINC001226334754 845822935 /nfs/dbraw/zinc/82/29/35/845822935.db2.gz ZFGBAKYDYRBEEA-KBUPBQIOSA-N 2 0 360.524 -0.107 20 0 FBADRP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001226553663 845827659 /nfs/dbraw/zinc/82/76/59/845827659.db2.gz FABRDEVHNMZJRA-JHJVBQTASA-N 2 0 359.446 -0.122 20 0 FBADRP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001226553674 845827060 /nfs/dbraw/zinc/82/70/60/845827060.db2.gz FABRDEVHNMZJRA-YNEHKIRRSA-N 2 0 359.446 -0.122 20 0 FBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001226781978 845836250 /nfs/dbraw/zinc/83/62/50/845836250.db2.gz GQOPEGHJVDMDPM-CHWSQXEVSA-N 2 0 353.467 -0.057 20 0 FBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001226799566 845837357 /nfs/dbraw/zinc/83/73/57/845837357.db2.gz CIUUBDJQUANLQL-NFAWXSAZSA-N 2 0 353.467 -0.201 20 0 FBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001226799568 845836758 /nfs/dbraw/zinc/83/67/58/845836758.db2.gz CIUUBDJQUANLQL-UMVBOHGHSA-N 2 0 353.467 -0.201 20 0 FBADRP Cn1[nH]c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H](C2CC2)[NH+](C)C)nc1=O ZINC001226800634 845837486 /nfs/dbraw/zinc/83/74/86/845837486.db2.gz NQXVRTBRLPHWTK-NFAWXSAZSA-N 2 0 350.467 -0.034 20 0 FBADRP Cn1[nH]c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H](C2CC2)[NH+](C)C)nc1=O ZINC001226800637 845837617 /nfs/dbraw/zinc/83/76/17/845837617.db2.gz NQXVRTBRLPHWTK-UMVBOHGHSA-N 2 0 350.467 -0.034 20 0 FBADRP C[NH+](C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCNS(C)(=O)=O)C1CC1 ZINC001226801491 845836996 /nfs/dbraw/zinc/83/69/96/845836996.db2.gz YUOILOKOXSTYAG-KFWWJZLASA-N 2 0 360.524 -0.107 20 0 FBADRP C[NH+](C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCNS(C)(=O)=O)C1CC1 ZINC001226801493 845837325 /nfs/dbraw/zinc/83/73/25/845837325.db2.gz YUOILOKOXSTYAG-RBSFLKMASA-N 2 0 360.524 -0.107 20 0 FBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001226831506 845837088 /nfs/dbraw/zinc/83/70/88/845837088.db2.gz QUJVCJUPCJMVEN-ZIAGYGMSSA-N 2 0 353.467 -0.057 20 0 FBADRP CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CNC1=O)[NH+](C)C ZINC001227057193 845843477 /nfs/dbraw/zinc/84/34/77/845843477.db2.gz QAVFLHJBVZSGJQ-MGPQQGTHSA-N 2 0 353.467 -0.105 20 0 FBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001227092900 845843947 /nfs/dbraw/zinc/84/39/47/845843947.db2.gz WOPYWIQMFNOVKY-MCIONIFRSA-N 2 0 353.467 -0.057 20 0 FBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001227092903 845843690 /nfs/dbraw/zinc/84/36/90/845843690.db2.gz WOPYWIQMFNOVKY-MGPQQGTHSA-N 2 0 353.467 -0.057 20 0 FBADRP NC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001227275698 845849426 /nfs/dbraw/zinc/84/94/26/845849426.db2.gz JHAKCAZLYOTAQG-CHWSQXEVSA-N 2 0 351.451 -0.173 20 0 FBADRP COCCOC[C@H](O)C[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001227444181 845852950 /nfs/dbraw/zinc/85/29/50/845852950.db2.gz PLHGFIIIACNYHL-DJIMGWMZSA-N 2 0 357.495 -0.069 20 0 FBADRP COCCOC[C@@H](O)C[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001227444187 845852618 /nfs/dbraw/zinc/85/26/18/845852618.db2.gz PLHGFIIIACNYHL-HYVNUMGLSA-N 2 0 357.495 -0.069 20 0 FBADRP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CCN(C)S(C)(=O)=O)CC2)CC[N@@H+]1C ZINC001227444317 845852279 /nfs/dbraw/zinc/85/22/79/845852279.db2.gz PZDJYTQDNDXQJV-UKRRQHHQSA-N 2 0 360.524 -0.201 20 0 FBADRP CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001227613604 845855025 /nfs/dbraw/zinc/85/50/25/845855025.db2.gz JMBCELOPONZBNX-HIJUSWDOSA-N 2 0 350.463 -0.387 20 0 FBADRP CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001227613605 845855381 /nfs/dbraw/zinc/85/53/81/845855381.db2.gz JMBCELOPONZBNX-LIDHIPMTSA-N 2 0 350.463 -0.387 20 0 FBADRP Cn1ccnc1CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001227681430 845857042 /nfs/dbraw/zinc/85/70/42/845857042.db2.gz YFDXZGWLMVNSRO-ZIAGYGMSSA-N 2 0 371.507 -0.081 20 0 FBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001227957683 845866944 /nfs/dbraw/zinc/86/69/44/845866944.db2.gz MGWBEUFAVAHRDQ-MGPQQGTHSA-N 2 0 353.467 -0.057 20 0 FBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NCC[NH+]2CCC(O)CC2)C1 ZINC001227966995 845866733 /nfs/dbraw/zinc/86/67/33/845866733.db2.gz PZLVANKLQHVRNW-AWEZNQCLSA-N 2 0 355.483 -0.670 20 0 FBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NCC[NH+]2CCC(O)CC2)C1 ZINC001227967000 845866836 /nfs/dbraw/zinc/86/68/36/845866836.db2.gz PZLVANKLQHVRNW-CQSZACIVSA-N 2 0 355.483 -0.670 20 0 FBADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC(N)=O)CC[N@@H+]1C ZINC001228188417 845871485 /nfs/dbraw/zinc/87/14/85/845871485.db2.gz ALQMMFIRVXYZMB-IGQOVBAYSA-N 2 0 353.467 -0.071 20 0 FBADRP Cn1[nH]c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C2(C[NH+](C)C)CC2)nc1=O ZINC001228224757 845872158 /nfs/dbraw/zinc/87/21/58/845872158.db2.gz ODVKSASNWHZVSP-CHWSQXEVSA-N 2 0 350.467 -0.033 20 0 FBADRP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)C1(C[NH+](C)C)CC1)C(=O)NC(N)=O ZINC001228238710 845872383 /nfs/dbraw/zinc/87/23/83/845872383.db2.gz KEMJCOCUSGCWHC-JHJVBQTASA-N 2 0 353.467 -0.071 20 0 FBADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)C1(C[NH+](C)C)CC1)C(=O)NC(N)=O ZINC001228238712 845872624 /nfs/dbraw/zinc/87/26/24/845872624.db2.gz KEMJCOCUSGCWHC-YNEHKIRRSA-N 2 0 353.467 -0.071 20 0 FBADRP C[NH+](C)CC1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCNS(C)(=O)=O)CC1 ZINC001228239019 845872704 /nfs/dbraw/zinc/87/27/04/845872704.db2.gz NERKFIIEWSNSIF-ZIAGYGMSSA-N 2 0 360.524 -0.106 20 0 FBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001228239372 845872988 /nfs/dbraw/zinc/87/29/88/845872988.db2.gz QQYXRURXHJEOBA-CHWSQXEVSA-N 2 0 353.467 -0.199 20 0 FBADRP C[NH+](C)CCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001228269120 845874140 /nfs/dbraw/zinc/87/41/40/845874140.db2.gz AFRQGABKQZHZOS-ZIAGYGMSSA-N 2 0 353.467 -0.103 20 0 FBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001228335268 845876319 /nfs/dbraw/zinc/87/63/19/845876319.db2.gz WGXGUAQEJFRTQL-ZIAGYGMSSA-N 2 0 353.467 -0.199 20 0 FBADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)C1CC[NH+](C)CC1)C(=O)NC(N)=O ZINC001228341547 845876190 /nfs/dbraw/zinc/87/61/90/845876190.db2.gz HEMLEITXKHOOLL-IACUBPJLSA-N 2 0 353.467 -0.071 20 0 FBADRP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)C1CC[NH+](C)CC1)C(=O)NC(N)=O ZINC001228341548 845876129 /nfs/dbraw/zinc/87/61/29/845876129.db2.gz HEMLEITXKHOOLL-MRVWCRGKSA-N 2 0 353.467 -0.071 20 0 FBADRP C[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCNS(C)(=O)=O)CC1 ZINC001228342124 845876037 /nfs/dbraw/zinc/87/60/37/845876037.db2.gz SRCWZGJMITUSEA-HUUCEWRRSA-N 2 0 360.524 -0.106 20 0 FBADRP C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCN1C(=O)CNC1=O ZINC001228355270 845877588 /nfs/dbraw/zinc/87/75/88/845877588.db2.gz LAFDXENZPGATQL-ZIAGYGMSSA-N 2 0 353.467 -0.103 20 0 FBADRP C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001228365361 845877429 /nfs/dbraw/zinc/87/74/29/845877429.db2.gz CYFNEGFNBLTKTG-ZIAGYGMSSA-N 2 0 353.467 -0.057 20 0 FBADRP C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCCS1(=O)=O ZINC001228366661 845877420 /nfs/dbraw/zinc/87/74/20/845877420.db2.gz UVACOTKADCBALS-HUUCEWRRSA-N 2 0 360.524 -0.009 20 0 FBADRP C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)CN1CCCC1=O ZINC001228377492 845878614 /nfs/dbraw/zinc/87/86/14/845878614.db2.gz UOCLTWDLTFBUJI-ARFHVFGLSA-N 2 0 354.495 -0.062 20 0 FBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001228594536 845883354 /nfs/dbraw/zinc/88/33/54/845883354.db2.gz MKFKJZCLXNUBMK-BFHYXJOUSA-N 2 0 353.467 -0.057 20 0 FBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001228594539 845883820 /nfs/dbraw/zinc/88/38/20/845883820.db2.gz MKFKJZCLXNUBMK-MGPQQGTHSA-N 2 0 353.467 -0.057 20 0 FBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001228603700 845883607 /nfs/dbraw/zinc/88/36/07/845883607.db2.gz RVKQRSWFJGZXTK-BFHYXJOUSA-N 2 0 353.467 -0.199 20 0 FBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001228603701 845883229 /nfs/dbraw/zinc/88/32/29/845883229.db2.gz RVKQRSWFJGZXTK-MGPQQGTHSA-N 2 0 353.467 -0.199 20 0 FBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCNS(C)(=O)=O)C1 ZINC001228604027 845883730 /nfs/dbraw/zinc/88/37/30/845883730.db2.gz VYGGIZBJDSWBRZ-RBSFLKMASA-N 2 0 360.524 -0.106 20 0 FBADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCNS(C)(=O)=O)C1 ZINC001228604028 845883375 /nfs/dbraw/zinc/88/33/75/845883375.db2.gz VYGGIZBJDSWBRZ-RRFJBIMHSA-N 2 0 360.524 -0.106 20 0 FBADRP CC1(C)CC[N@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC(N)=O)C1 ZINC001228617810 845883654 /nfs/dbraw/zinc/88/36/54/845883654.db2.gz CLMITJRJAPPQOE-CHWSQXEVSA-N 2 0 353.467 -0.070 20 0 FBADRP C[NH+]1CCC(CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC(N)=O)CC1 ZINC001228932302 845892357 /nfs/dbraw/zinc/89/23/57/845892357.db2.gz NEQWTJIBCUYKMX-ZIAGYGMSSA-N 2 0 353.467 -0.070 20 0 FBADRP CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001229037552 845894672 /nfs/dbraw/zinc/89/46/72/845894672.db2.gz LGMMLWYIEXMDNP-HUUCEWRRSA-N 2 0 350.467 -0.179 20 0 FBADRP Cn1nnnc1CN[C@@H]1CCCC[C@H]1NC(=O)CCN1CCOCC1 ZINC001229141680 845896636 /nfs/dbraw/zinc/89/66/36/845896636.db2.gz HRFVGGVUODLTPZ-ZIAGYGMSSA-N 2 0 351.455 -0.551 20 0 FBADRP CC[NH+](CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001229237557 845900175 /nfs/dbraw/zinc/90/01/75/845900175.db2.gz GJGFSVTXWWFCCJ-ZIAGYGMSSA-N 2 0 353.467 -0.103 20 0 FBADRP CC1CC[NH+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC(N)=O)CC1 ZINC001229288248 845900103 /nfs/dbraw/zinc/90/01/03/845900103.db2.gz YTUQRVYGTVPBTF-ZIAGYGMSSA-N 2 0 353.467 -0.070 20 0 FBADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001229523276 845905921 /nfs/dbraw/zinc/90/59/21/845905921.db2.gz FKKIPPHLKDGBDR-ZIAGYGMSSA-N 2 0 353.467 -0.103 20 0 FBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCNS(C)(=O)=O)C1 ZINC001229691740 845909660 /nfs/dbraw/zinc/90/96/60/845909660.db2.gz ACMNVQYSAXANLD-RBSFLKMASA-N 2 0 360.524 -0.106 20 0 FBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCNS(C)(=O)=O)C1 ZINC001229691743 845909862 /nfs/dbraw/zinc/90/98/62/845909862.db2.gz ACMNVQYSAXANLD-RRFJBIMHSA-N 2 0 360.524 -0.106 20 0 FBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001229692270 845909247 /nfs/dbraw/zinc/90/92/47/845909247.db2.gz FYERXHHPFPDLIB-BFHYXJOUSA-N 2 0 353.467 -0.199 20 0 FBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001229692277 845909482 /nfs/dbraw/zinc/90/94/82/845909482.db2.gz FYERXHHPFPDLIB-MGPQQGTHSA-N 2 0 353.467 -0.199 20 0 FBADRP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)COCC[NH+](C)C)C(=O)NC(N)=O ZINC001229693099 845910942 /nfs/dbraw/zinc/91/09/42/845910942.db2.gz NHLZPZVIQBVNCC-JHJVBQTASA-N 2 0 357.455 -0.835 20 0 FBADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)COCC[NH+](C)C)C(=O)NC(N)=O ZINC001229693121 845910553 /nfs/dbraw/zinc/91/05/53/845910553.db2.gz NHLZPZVIQBVNCC-YNEHKIRRSA-N 2 0 357.455 -0.835 20 0 FBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)COCC[NH+](C)C ZINC001229709237 845910565 /nfs/dbraw/zinc/91/05/65/845910565.db2.gz FBOZQOQSRQEVPH-CHWSQXEVSA-N 2 0 357.455 -0.963 20 0 FBADRP Cn1[nH]c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)COCC[NH+](C)C)nc1=O ZINC001229709733 845910622 /nfs/dbraw/zinc/91/06/22/845910622.db2.gz JYOYDIKZXLOYJU-CHWSQXEVSA-N 2 0 354.455 -0.796 20 0 FBADRP C[NH+](C)CCOCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCC(=O)NC1=O ZINC001229711322 845910933 /nfs/dbraw/zinc/91/09/33/845910933.db2.gz ZQEQFISCXOXETK-MCIONIFRSA-N 2 0 354.451 -0.613 20 0 FBADRP C[NH+](C)CCOCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC(=O)NC1=O ZINC001229711324 845910502 /nfs/dbraw/zinc/91/05/02/845910502.db2.gz ZQEQFISCXOXETK-MGPQQGTHSA-N 2 0 354.451 -0.613 20 0 FBADRP C[NH+](C)CCOCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCNC1=O ZINC001229715866 845910854 /nfs/dbraw/zinc/91/08/54/845910854.db2.gz ARQSMNRBQSZGSS-HUUCEWRRSA-N 2 0 355.483 -0.393 20 0 FBADRP C[NH+](C)CCOCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001229715909 845910793 /nfs/dbraw/zinc/91/07/93/845910793.db2.gz BWEDPCKQMYCLLP-ZIAGYGMSSA-N 2 0 364.512 -0.869 20 0 FBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001229715945 845910866 /nfs/dbraw/zinc/91/08/66/845910866.db2.gz CWPFNIYLYWIVQW-CHWSQXEVSA-N 2 0 351.451 -0.445 20 0 FBADRP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)C12CC[NH+](CC1)C2)C(=O)NC(N)=O ZINC001229716452 845910556 /nfs/dbraw/zinc/91/05/56/845910556.db2.gz JJQUVGLDDRIZIR-JHJVBQTASA-N 2 0 351.451 -0.317 20 0 FBADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)C12CC[NH+](CC1)C2)C(=O)NC(N)=O ZINC001229716454 845910906 /nfs/dbraw/zinc/91/09/06/845910906.db2.gz JJQUVGLDDRIZIR-YNEHKIRRSA-N 2 0 351.451 -0.317 20 0 FBADRP CS(=O)(=O)NCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001229716945 845910693 /nfs/dbraw/zinc/91/06/93/845910693.db2.gz MQFOOZXODNBJBD-ZIAGYGMSSA-N 2 0 358.508 -0.352 20 0 FBADRP CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CNC1=O)[NH+](C)C ZINC001229746658 845911673 /nfs/dbraw/zinc/91/16/73/845911673.db2.gz QAVFLHJBVZSGJQ-MCIONIFRSA-N 2 0 353.467 -0.105 20 0 FBADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001229868232 845913633 /nfs/dbraw/zinc/91/36/33/845913633.db2.gz DVXHJISQRRUSAQ-ZIAGYGMSSA-N 2 0 353.467 -0.103 20 0 FBADRP NC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001229957765 845916378 /nfs/dbraw/zinc/91/63/78/845916378.db2.gz YDKIOMBOAOQFCS-XNJGSVPQSA-N 2 0 351.451 -0.316 20 0 FBADRP CN(CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1)S(C)(=O)=O ZINC001230137978 845921384 /nfs/dbraw/zinc/92/13/84/845921384.db2.gz AHOUZXHJUVPSBD-RBSFLKMASA-N 2 0 360.524 -0.154 20 0 FBADRP CN(CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1)S(C)(=O)=O ZINC001230137979 845921228 /nfs/dbraw/zinc/92/12/28/845921228.db2.gz AHOUZXHJUVPSBD-RRFJBIMHSA-N 2 0 360.524 -0.154 20 0 FBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001230138264 845920872 /nfs/dbraw/zinc/92/08/72/845920872.db2.gz MFCMMBPOUSBDEM-BFHYXJOUSA-N 2 0 353.467 -0.199 20 0 FBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001230138265 845921404 /nfs/dbraw/zinc/92/14/04/845921404.db2.gz MFCMMBPOUSBDEM-MGPQQGTHSA-N 2 0 353.467 -0.199 20 0 FBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001230141241 845922376 /nfs/dbraw/zinc/92/23/76/845922376.db2.gz BRRRILISNCLHEE-ZIAGYGMSSA-N 2 0 353.467 -0.055 20 0 FBADRP CCS(=O)(=O)NCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001230141477 845922317 /nfs/dbraw/zinc/92/23/17/845922317.db2.gz MOKYDSFKMHYJTM-RBSFLKMASA-N 2 0 360.524 -0.106 20 0 FBADRP CCS(=O)(=O)NCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001230141478 845922148 /nfs/dbraw/zinc/92/21/48/845922148.db2.gz MOKYDSFKMHYJTM-RRFJBIMHSA-N 2 0 360.524 -0.106 20 0 FBADRP CN(CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCCC1)S(C)(=O)=O ZINC001230141577 845922466 /nfs/dbraw/zinc/92/24/66/845922466.db2.gz PQLDYVSDOUMNGI-HUUCEWRRSA-N 2 0 360.524 -0.009 20 0 FBADRP CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001230147368 845922063 /nfs/dbraw/zinc/92/20/63/845922063.db2.gz DLVYMILWXLWUEE-BFHYXJOUSA-N 2 0 353.467 -0.057 20 0 FBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001230147369 845921818 /nfs/dbraw/zinc/92/18/18/845921818.db2.gz DLVYMILWXLWUEE-MGPQQGTHSA-N 2 0 353.467 -0.057 20 0 FBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1ccnc1C ZINC001230147667 845922052 /nfs/dbraw/zinc/92/20/52/845922052.db2.gz LMWCZFPDAHDTFO-CHWSQXEVSA-N 2 0 350.423 -0.336 20 0 FBADRP Cc1nccn1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001230147674 845922163 /nfs/dbraw/zinc/92/21/63/845922163.db2.gz LTYHFKJXNWCJPE-ZIAGYGMSSA-N 2 0 357.480 -0.242 20 0 FBADRP CCN1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCS(C)(=O)=O)C1 ZINC001230215510 845926023 /nfs/dbraw/zinc/92/60/23/845926023.db2.gz QGCVDFBISDRONT-KFWWJZLASA-N 2 0 361.508 -0.231 20 0 FBADRP CCN1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCS(C)(=O)=O)C1 ZINC001230215511 845925958 /nfs/dbraw/zinc/92/59/58/845925958.db2.gz QGCVDFBISDRONT-RBSFLKMASA-N 2 0 361.508 -0.231 20 0 FBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001230284759 845928646 /nfs/dbraw/zinc/92/86/46/845928646.db2.gz UCXKGXSQDCLVOT-ZIAGYGMSSA-N 2 0 353.467 -0.105 20 0 FBADRP CC[NH+](CC)CCCN1CC[NH+](Cc2cn(C)c(=O)n(C)c2=O)CC1 ZINC001231772612 845960456 /nfs/dbraw/zinc/96/04/56/845960456.db2.gz RKWMBNUPLVYHLE-UHFFFAOYSA-N 2 0 351.495 -0.067 20 0 FBADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C[C@H]1C[NH2+]CCO1)C2 ZINC001235272281 846026090 /nfs/dbraw/zinc/02/60/90/846026090.db2.gz JIJAHTMLBCFVIF-BNOWGMLFSA-N 2 0 351.369 -0.008 20 0 FBADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C[C@@H]1C[NH2+]CCO1)C2 ZINC001235272354 846026367 /nfs/dbraw/zinc/02/63/67/846026367.db2.gz JIJAHTMLBCFVIF-IACUBPJLSA-N 2 0 351.369 -0.008 20 0 FBADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C[C@H]1C[NH2+]CCO1)C2 ZINC001235272362 846026432 /nfs/dbraw/zinc/02/64/32/846026432.db2.gz JIJAHTMLBCFVIF-MRVWCRGKSA-N 2 0 351.369 -0.008 20 0 FBADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C[C@@H]1C[NH2+]CCO1)C2 ZINC001235272371 846026306 /nfs/dbraw/zinc/02/63/06/846026306.db2.gz JIJAHTMLBCFVIF-YUTCNCBUSA-N 2 0 351.369 -0.008 20 0 FBADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C[C@@H]1COCC[NH2+]1)C2 ZINC001235277383 846027223 /nfs/dbraw/zinc/02/72/23/846027223.db2.gz VLBPUFOSMCQEJR-BNOWGMLFSA-N 2 0 351.369 -0.008 20 0 FBADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C[C@H]1COCC[NH2+]1)C2 ZINC001235277394 846027449 /nfs/dbraw/zinc/02/74/49/846027449.db2.gz VLBPUFOSMCQEJR-IACUBPJLSA-N 2 0 351.369 -0.008 20 0 FBADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C[C@@H]1COCC[NH2+]1)C2 ZINC001235277398 846027319 /nfs/dbraw/zinc/02/73/19/846027319.db2.gz VLBPUFOSMCQEJR-MRVWCRGKSA-N 2 0 351.369 -0.008 20 0 FBADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C[C@H]1COCC[NH2+]1)C2 ZINC001235277400 846027025 /nfs/dbraw/zinc/02/70/25/846027025.db2.gz VLBPUFOSMCQEJR-YUTCNCBUSA-N 2 0 351.369 -0.008 20 0 FBADRP CN1CC[C@]2(CN(S(C)(=O)=O)CC23CC[NH+](CCCC[NH3+])CC3)C1=O ZINC001235527833 846029383 /nfs/dbraw/zinc/02/93/83/846029383.db2.gz XDFFMDSMDPTFPE-KRWDZBQOSA-N 2 0 372.535 -0.069 20 0 FBADRP CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CC[NH+](CCCC[NH3+])CC3)C1=O ZINC001235527836 846029413 /nfs/dbraw/zinc/02/94/13/846029413.db2.gz XDFFMDSMDPTFPE-QGZVFWFLSA-N 2 0 372.535 -0.069 20 0 FBADRP CC1(C)[NH2+]C[C@@H](CN2C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCOCC3)C2)O1 ZINC001235528178 846029321 /nfs/dbraw/zinc/02/93/21/846029321.db2.gz ZAUFPRFXIVAULX-YHUYYLMFSA-N 2 0 353.463 -0.093 20 0 FBADRP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2CN(C[C@@H]3C[NH2+]C(C)(C)O3)CC[C@@H]2C1 ZINC001235547589 846029231 /nfs/dbraw/zinc/02/92/31/846029231.db2.gz QPUKUFKHCCHVSS-OWCLPIDISA-N 2 0 354.495 -0.178 20 0 FBADRP [NH3+]CCCC[N@@H+]1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001235549735 846030546 /nfs/dbraw/zinc/03/05/46/846030546.db2.gz IHFFWJARWAREBA-RBSFLKMASA-N 2 0 359.492 -0.681 20 0 FBADRP [NH3+]CCCC[N@@H+]1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001235549737 846030879 /nfs/dbraw/zinc/03/08/79/846030879.db2.gz IHFFWJARWAREBA-RRFJBIMHSA-N 2 0 359.492 -0.681 20 0 FBADRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2C[C@@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1O ZINC001235604564 846030349 /nfs/dbraw/zinc/03/03/49/846030349.db2.gz FWVIMHQBCIUVLM-NEXGVSGLSA-N 2 0 355.479 -0.066 20 0 FBADRP CS(=O)(=O)Nc1ccc(CN2CC[NH2+]CCNCC[NH2+]CC2)cc1 ZINC001235869249 846031397 /nfs/dbraw/zinc/03/13/97/846031397.db2.gz CCTIFEQNGZDAJP-UHFFFAOYSA-N 2 0 355.508 -0.358 20 0 FBADRP COC(=O)COc1ccccc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235869577 846031605 /nfs/dbraw/zinc/03/16/05/846031605.db2.gz GUKNGCDSEWPAGM-UHFFFAOYSA-N 2 0 350.463 -0.177 20 0 FBADRP COC(=O)COc1ccc(CN2CC[NH2+]CCNCC[NH2+]CC2)cc1 ZINC001235869726 846031970 /nfs/dbraw/zinc/03/19/70/846031970.db2.gz DQPHZAQEVNPQNN-UHFFFAOYSA-N 2 0 350.463 -0.177 20 0 FBADRP c1nc(N2CCOCC2)sc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235870253 846031617 /nfs/dbraw/zinc/03/16/17/846031617.db2.gz INLCZSLLGLJYMK-UHFFFAOYSA-N 2 0 354.524 -0.436 20 0 FBADRP CS(=O)(=O)Nc1ccccc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235871732 846031923 /nfs/dbraw/zinc/03/19/23/846031923.db2.gz YJZRPPNWOIKMSM-UHFFFAOYSA-N 2 0 355.508 -0.358 20 0 FBADRP Nc1ncc(Br)nc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235871960 846031704 /nfs/dbraw/zinc/03/17/04/846031704.db2.gz VGFDPCGRYGSTKM-UHFFFAOYSA-N 2 0 358.288 -0.594 20 0 FBADRP CS(=O)(=O)Nc1cccc(CN2CC[NH2+]CCNCC[NH2+]CC2)c1 ZINC001235872010 846033115 /nfs/dbraw/zinc/03/31/15/846033115.db2.gz XZYVZKZWKNZKRE-UHFFFAOYSA-N 2 0 355.508 -0.358 20 0 FBADRP CN1CCN(c2ncc(CN3CC[NH2+]CCNCC[NH2+]CC3)s2)CC1 ZINC001235872063 846033467 /nfs/dbraw/zinc/03/34/67/846033467.db2.gz WTYDMECRVFDOHI-UHFFFAOYSA-N 3 0 367.567 -0.521 20 0 FBADRP CS(=O)(=O)c1ccc(CN2CC[NH2+]CCNCC[NH2+]CC2)c(F)c1 ZINC001235873301 846032787 /nfs/dbraw/zinc/03/27/87/846032787.db2.gz FDBQNVMZDJDTBL-UHFFFAOYSA-N 2 0 358.483 -0.186 20 0 FBADRP CS(=O)(=O)c1cc(CN2CC[NH2+]CCNCC[NH2+]CC2)ccc1F ZINC001235874666 846032919 /nfs/dbraw/zinc/03/29/19/846032919.db2.gz UTGRUQPCZHRJKC-UHFFFAOYSA-N 2 0 358.483 -0.186 20 0 FBADRP CC(C)C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1CCCC[NH3+])C(=O)NCC(N)=O ZINC001235881004 846032648 /nfs/dbraw/zinc/03/26/48/846032648.db2.gz CLYGCUKQRHHCBF-KBPBESRZSA-N 2 0 355.483 -0.678 20 0 FBADRP CN1CCN(c2cc(S(C)(=O)=O)ccc2CN(CC[NH3+])CC[NH3+])CC1 ZINC001235881041 846032631 /nfs/dbraw/zinc/03/26/31/846032631.db2.gz TVCOLQXQAPNPKO-UHFFFAOYSA-N 2 0 369.535 -0.439 20 0 FBADRP C[NH+](C)CCN1CCN(C[C@@H]2O[C@H]3OC(C)(C)O[C@H]3[C@@H]2O)CCC1=O ZINC001235961466 846033054 /nfs/dbraw/zinc/03/30/54/846033054.db2.gz BEQZIXZUPCURFY-UKMLZYKCSA-N 2 0 357.451 -0.680 20 0 FBADRP CC1(C)O[C@@H]2O[C@@H](CN3CCN(CC[NH+]4CCCC4)CC3)[C@@H](O)[C@@H]2O1 ZINC001235961559 846032981 /nfs/dbraw/zinc/03/29/81/846032981.db2.gz HJTYNBHTUYPRNE-YVSFHVDLSA-N 2 0 355.479 -0.063 20 0 FBADRP CCOC(=O)[C@]12C[N@H+](Cc3cn(C)c(=O)n(C)c3=O)C[C@H]1C[NH2+]CC2 ZINC001236040724 846033151 /nfs/dbraw/zinc/03/31/51/846033151.db2.gz MXPHAESAJBVGEJ-CXAGYDPISA-N 2 0 350.419 -0.941 20 0 FBADRP [NH3+]CCCC[NH+]1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001236262739 846032680 /nfs/dbraw/zinc/03/26/80/846032680.db2.gz AUABIPORNILCOV-GJZGRUSLSA-N 2 0 359.465 -0.059 20 0 FBADRP O=C([C@@H]1C[C@H](N2CCN(CC3C[NH2+]C3)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001236263151 846032908 /nfs/dbraw/zinc/03/29/08/846032908.db2.gz ITUNXJBTBXVZCY-GJZGRUSLSA-N 2 0 357.449 -0.579 20 0 FBADRP CC[NH2+]CCN1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001236263455 846033010 /nfs/dbraw/zinc/03/30/10/846033010.db2.gz KMGDBEXIPJAJMZ-GJZGRUSLSA-N 2 0 359.465 -0.188 20 0 FBADRP O=C([C@@H]1C[C@H](N2CCN(C[C@H]3CC[NH2+]3)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001236263740 846032933 /nfs/dbraw/zinc/03/29/33/846032933.db2.gz NAFLKHRHGATYOB-ILXRZTDVSA-N 2 0 357.449 -0.436 20 0 FBADRP O=C([C@@H]1C[C@H](N2CCN(C[C@@H]3CC[NH2+]3)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001236263751 846032621 /nfs/dbraw/zinc/03/26/21/846032621.db2.gz NAFLKHRHGATYOB-KKUMJFAQSA-N 2 0 357.449 -0.436 20 0 FBADRP CC[C@@H]([NH3+])CN1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001236265237 846033366 /nfs/dbraw/zinc/03/33/66/846033366.db2.gz WRSQKCAMJRRWFX-ILXRZTDVSA-N 2 0 359.465 -0.061 20 0 FBADRP CC[C@H]([NH3+])CN1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001236265238 846032611 /nfs/dbraw/zinc/03/26/11/846032611.db2.gz WRSQKCAMJRRWFX-KKUMJFAQSA-N 2 0 359.465 -0.061 20 0 FBADRP C[NH2+]CCCN1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001236265574 846032797 /nfs/dbraw/zinc/03/27/97/846032797.db2.gz YQUZVZMFBWJDAC-GJZGRUSLSA-N 2 0 359.465 -0.188 20 0 FBADRP Cn1ncc(Br)c1CN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236307139 846034297 /nfs/dbraw/zinc/03/42/97/846034297.db2.gz CSHUDDSHWQKGRW-UHFFFAOYSA-N 2 0 361.288 -0.202 20 0 FBADRP COc1ccc(OC)c(CN(CCC[NH3+])CC(=O)NCCC[NH3+])c1N ZINC001236308165 846034488 /nfs/dbraw/zinc/03/44/88/846034488.db2.gz HHDGEQRCUINCKN-UHFFFAOYSA-N 2 0 353.467 -0.098 20 0 FBADRP CS(=O)(=O)c1cccc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])c1 ZINC001236308271 846034481 /nfs/dbraw/zinc/03/44/81/846034481.db2.gz IJKPTBGUBNSQRH-UHFFFAOYSA-N 2 0 356.492 -0.294 20 0 FBADRP CS(=O)(=O)c1ccc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])cc1 ZINC001236308278 846034088 /nfs/dbraw/zinc/03/40/88/846034088.db2.gz IKERDEYTQPDUIC-UHFFFAOYSA-N 2 0 356.492 -0.294 20 0 FBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1cnc(N2CCOCC2)s1 ZINC001236309256 846034426 /nfs/dbraw/zinc/03/44/26/846034426.db2.gz LBJONLPRUODQJW-UHFFFAOYSA-N 2 0 370.523 -0.405 20 0 FBADRP CCOC(=O)c1c(CN(CCC[NH3+])CC(=O)NCCC[NH3+])cnn1C ZINC001236310212 846034253 /nfs/dbraw/zinc/03/42/53/846034253.db2.gz VMEQHUWSQYCMNN-UHFFFAOYSA-N 2 0 354.455 -0.787 20 0 FBADRP NC(=O)COc1ccc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])cc1 ZINC001236310254 846034380 /nfs/dbraw/zinc/03/43/80/846034380.db2.gz VXOMDJSOJMIQBF-UHFFFAOYSA-N 2 0 351.451 -0.834 20 0 FBADRP Nc1ncc(Br)nc1CN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236310557 846033981 /nfs/dbraw/zinc/03/39/81/846033981.db2.gz GUAJOJMIBRPKOG-UHFFFAOYSA-N 2 0 374.287 -0.563 20 0 FBADRP Cn1cc(Br)c(CN(CCC[NH3+])CC(=O)NCCC[NH3+])n1 ZINC001236310562 846034291 /nfs/dbraw/zinc/03/42/91/846034291.db2.gz GXUCZSISHBHVKV-UHFFFAOYSA-N 2 0 361.288 -0.202 20 0 FBADRP CS(=O)(=O)c1ccc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])cn1 ZINC001236310625 846034028 /nfs/dbraw/zinc/03/40/28/846034028.db2.gz KKLSURGRPCXNHN-UHFFFAOYSA-N 2 0 357.480 -0.899 20 0 FBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1cnc2ccc(Cl)nn12 ZINC001236310635 846034218 /nfs/dbraw/zinc/03/42/18/846034218.db2.gz 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ZINC001236311798 837156381 /nfs/dbraw/zinc/15/63/81/837156381.db2.gz VWKPPVSRNOAGLM-UHFFFAOYSA-N 2 0 359.272 -0.145 20 0 FBADRP CNc1nc(SC)ncc1CN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236311948 846033926 /nfs/dbraw/zinc/03/39/26/846033926.db2.gz XWFCTAKTFBJCEP-UHFFFAOYSA-N 2 0 355.512 -0.144 20 0 FBADRP CCOC(=O)c1ccnc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])c1 ZINC001236311949 846034393 /nfs/dbraw/zinc/03/43/93/846034393.db2.gz LXZWULHSVSSGBL-UHFFFAOYSA-N 2 0 351.451 -0.126 20 0 FBADRP CCOC(=O)c1ccc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])nc1 ZINC001236311956 846034418 /nfs/dbraw/zinc/03/44/18/846034418.db2.gz ODMDZXMDXOCLFC-UHFFFAOYSA-N 2 0 351.451 -0.126 20 0 FBADRP CS(=O)(=O)Nc1ccc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])cc1 ZINC001236312138 846034224 /nfs/dbraw/zinc/03/42/24/846034224.db2.gz OOSKFJDHCJWCNT-UHFFFAOYSA-N 2 0 371.507 -0.326 20 0 FBADRP CS(=O)(=O)c1cc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])ccc1F ZINC001236312242 846034411 /nfs/dbraw/zinc/03/44/11/846034411.db2.gz SKCCSVSBWPNEAI-UHFFFAOYSA-N 2 0 374.482 -0.155 20 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20 0 FBADRP [NH3+]CCCOCCOCCOCCCNS(=O)(=O)[C@@H]1CC[NH2+]C1 ZINC001238438609 846063315 /nfs/dbraw/zinc/06/33/15/846063315.db2.gz RJLHFQLABPPCOZ-CQSZACIVSA-N 2 0 353.485 -0.944 20 0 FBADRP C[NH+](C)CC(=O)N[C@H]1CC[C@H](NS(=O)(=O)CC2CC[NH2+]CC2)CC1 ZINC001238828782 846068188 /nfs/dbraw/zinc/06/81/88/846068188.db2.gz UOWZSUDDUNIWQQ-SHTZXODSSA-N 2 0 360.524 -0.106 20 0 FBADRP CCC(CC)[C@@H](NS(=O)(=O)CC[NH3+])[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001238840151 846069061 /nfs/dbraw/zinc/06/90/61/846069061.db2.gz OFRFVPOXAVLWHR-RYMFRWLXSA-N 2 0 365.496 -0.833 20 0 FBADRP [NH3+]CCC[NH2+]CCCNS(=O)(=O)c1ccc(N2CCOCC2)nc1 ZINC001238878383 846068916 /nfs/dbraw/zinc/06/89/16/846068916.db2.gz DXZKGPQQUDJQFZ-UHFFFAOYSA-N 2 0 357.480 -0.475 20 0 FBADRP [NH3+]CCC[NH2+]CCCNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1 ZINC001238878780 846069139 /nfs/dbraw/zinc/06/91/39/846069139.db2.gz LTMNRBHUSHULJF-UHFFFAOYSA-N 2 0 355.420 -0.352 20 0 FBADRP [NH3+]CCCC[NH2+]CCCNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC001238879976 846068495 /nfs/dbraw/zinc/06/84/95/846068495.db2.gz RVRCIBQXCQPRDY-UHFFFAOYSA-N 2 0 353.452 -0.136 20 0 FBADRP [NH3+]CCCC[NH2+]CCCNS(=O)(=O)c1ccc(N2CCOCC2)nc1 ZINC001238880149 846068703 /nfs/dbraw/zinc/06/87/03/846068703.db2.gz WGKMEIOQIDHBQO-UHFFFAOYSA-N 2 0 371.507 -0.085 20 0 FBADRP CCOC(=O)[C@@]12CN(S(=O)(=O)C3CC[NH2+]CC3)C[C@@H]1C[NH2+]CCC2 ZINC001238994283 846070821 /nfs/dbraw/zinc/07/08/21/846070821.db2.gz CGPWQCCVBSRPDS-BBRMVZONSA-N 2 0 359.492 -0.067 20 0 FBADRP O=S(=O)(CC1CC[NH2+]CC1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001239039376 846073249 /nfs/dbraw/zinc/07/32/49/846073249.db2.gz ANSPEQDXGWWUIN-UHFFFAOYSA-N 2 0 354.480 -0.498 20 0 FBADRP O=S(=O)([C@@H]1CC[NH2+]C1)N1CCN(C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001239045364 846073354 /nfs/dbraw/zinc/07/33/54/846073354.db2.gz DOQILZCRCCJEHA-CYBMUJFWSA-N 2 0 357.480 -0.848 20 0 FBADRP O=S(=O)([C@H]1CC[NH2+]C1)N1CCN(C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001239045368 846073293 /nfs/dbraw/zinc/07/32/93/846073293.db2.gz DOQILZCRCCJEHA-ZDUSSCGKSA-N 2 0 357.480 -0.848 20 0 FBADRP O=S(=O)(C1CC[NH2+]CC1)N1CCN(C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001239047194 846073139 /nfs/dbraw/zinc/07/31/39/846073139.db2.gz QBRRPYCZUOWQDU-UHFFFAOYSA-N 2 0 371.507 -0.458 20 0 FBADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(S(=O)(=O)CC[NH3+])C2 ZINC001239057254 846072766 /nfs/dbraw/zinc/07/27/66/846072766.db2.gz HUBSQMXZBKEPPC-GHMZBOCLSA-N 2 0 359.370 -0.708 20 0 FBADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(S(=O)(=O)CC[NH3+])C2 ZINC001239057266 846073211 /nfs/dbraw/zinc/07/32/11/846073211.db2.gz HUBSQMXZBKEPPC-MNOVXSKESA-N 2 0 359.370 -0.708 20 0 FBADRP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(S(=O)(=O)CC[NH3+])C2 ZINC001239057270 846073399 /nfs/dbraw/zinc/07/33/99/846073399.db2.gz HUBSQMXZBKEPPC-QWRGUYRKSA-N 2 0 359.370 -0.708 20 0 FBADRP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(S(=O)(=O)CC[NH3+])C2 ZINC001239057273 846072742 /nfs/dbraw/zinc/07/27/42/846072742.db2.gz HUBSQMXZBKEPPC-WDEREUQCSA-N 2 0 359.370 -0.708 20 0 FBADRP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1CN(S(=O)(=O)C1CC[NH2+]CC1)C2 ZINC001239060695 846073066 /nfs/dbraw/zinc/07/30/66/846073066.db2.gz CBCDTJVBMMMFHS-UJDVCPFMSA-N 2 0 357.476 -0.601 20 0 FBADRP O=C(C1CCN(S(=O)(=O)CC2CC[NH2+]CC2)CC1)N1CC[NH2+]CC1 ZINC001239061777 846073342 /nfs/dbraw/zinc/07/33/42/846073342.db2.gz YBBJJNVTMROHTA-UHFFFAOYSA-N 2 0 358.508 -0.540 20 0 FBADRP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1CN(S(=O)(=O)CC1CC[NH2+]CC1)C2 ZINC001239062264 846073081 /nfs/dbraw/zinc/07/30/81/846073081.db2.gz MADSZBLUIZKMFR-DLTWYDFYSA-N 2 0 371.503 -0.354 20 0 FBADRP CCOC(=O)[C@@]12CN(S(=O)(=O)C3CC[NH2+]CC3)C[C@@H]1CC[NH2+]CC2 ZINC001239062775 846072837 /nfs/dbraw/zinc/07/28/37/846072837.db2.gz JONUXDFONQGDFV-BBRMVZONSA-N 2 0 359.492 -0.067 20 0 FBADRP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(S(=O)(=O)CC[NH3+])C2 ZINC001239062823 846072974 /nfs/dbraw/zinc/07/29/74/846072974.db2.gz RDJWHQQFGWJQLG-XJKSGUPXSA-N 2 0 359.492 -0.080 20 0 FBADRP Cn1nnc2c1CCN(S(=O)(=O)CC[NH3+])[C@H]2COCC[NH+]1CCCC1 ZINC001239074271 846073317 /nfs/dbraw/zinc/07/33/17/846073317.db2.gz BPMKTYNGIYEMAM-AWEZNQCLSA-N 2 0 372.495 -0.885 20 0 FBADRP Cn1nnc2c1CCN(S(=O)(=O)CC[NH3+])[C@@H]2COCC[NH+]1CCCC1 ZINC001239074272 846072950 /nfs/dbraw/zinc/07/29/50/846072950.db2.gz BPMKTYNGIYEMAM-CQSZACIVSA-N 2 0 372.495 -0.885 20 0 FBADRP CNC(=O)C[N@@H+]1CCCC12CCN(S(=O)(=O)CC1CC[NH2+]CC1)CC2 ZINC001239076970 846073828 /nfs/dbraw/zinc/07/38/28/846073828.db2.gz VSDFGVARMNSDEO-UHFFFAOYSA-N 2 0 372.535 -0.008 20 0 FBADRP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(S(=O)(=O)CC[NH3+])CCC2 ZINC001239077540 846074456 /nfs/dbraw/zinc/07/44/56/846074456.db2.gz IOUDIQHHKCHYCJ-UHFFFAOYSA-N 2 0 357.480 -0.422 20 0 FBADRP [NH3+]CCS(=O)(=O)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001239078129 846075818 /nfs/dbraw/zinc/07/58/18/846075818.db2.gz YFCSPLLRQJZWIC-PMPSAXMXSA-N 2 0 368.507 -0.259 20 0 FBADRP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3S(=O)(=O)CC[NH3+])CC1 ZINC001239078547 846075808 /nfs/dbraw/zinc/07/58/08/846075808.db2.gz YSOLNDLEITXSGA-HUUCEWRRSA-N 2 0 358.508 -0.318 20 0 FBADRP CC[NH+](CC)Cc1cc(=O)n2c(n1)CN(S(=O)(=O)CC[NH3+])CCC2 ZINC001239080590 846075317 /nfs/dbraw/zinc/07/53/17/846075317.db2.gz DIGBJTMUWVQODV-UHFFFAOYSA-N 2 0 357.480 -0.421 20 0 FBADRP CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(S(=O)(=O)CC[NH3+])C3)O2)CC1 ZINC001239080661 846075464 /nfs/dbraw/zinc/07/54/64/846075464.db2.gz HMIAGKOUJUXKER-HZPDHXFCSA-N 2 0 360.524 -0.464 20 0 FBADRP [NH3+]CCS(=O)(=O)N1CCCn2nnc(COCC[NH+]3CCCC3)c2C1 ZINC001239080931 846075722 /nfs/dbraw/zinc/07/57/22/846075722.db2.gz IBQILPUMQMSQLI-UHFFFAOYSA-N 2 0 372.495 -0.615 20 0 FBADRP C[C@@H]1c2ncc(CN3CC[NH+](C)CC3)n2CCN1S(=O)(=O)CC[NH3+] ZINC001239080974 846075324 /nfs/dbraw/zinc/07/53/24/846075324.db2.gz GCXSYSNZGCPANA-CYBMUJFWSA-N 2 0 356.496 -0.704 20 0 FBADRP C[C@H]1c2ncc(CN3CC[NH+](C)CC3)n2CCN1S(=O)(=O)CC[NH3+] ZINC001239080985 846075442 /nfs/dbraw/zinc/07/54/42/846075442.db2.gz GCXSYSNZGCPANA-ZDUSSCGKSA-N 2 0 356.496 -0.704 20 0 FBADRP CC(C)[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2CN(S(=O)(=O)CC[NH3+])CC[C@@H]21 ZINC001239081093 846075214 /nfs/dbraw/zinc/07/52/14/846075214.db2.gz JNFFKZHFKFCJLY-ILXRZTDVSA-N 2 0 356.496 -0.260 20 0 FBADRP [NH3+]CCS(=O)(=O)N1CCCn2c(=O)cc(C[NH+]3CCCC3)nc2C1 ZINC001239083635 846076789 /nfs/dbraw/zinc/07/67/89/846076789.db2.gz ZUPAZPDHOWSESW-UHFFFAOYSA-N 2 0 355.464 -0.667 20 0 FBADRP [NH3+]CCS(=O)(=O)N1CCCn2cnc(C[NH2+]C3CCOCC3)c2C1 ZINC001239083767 846076547 /nfs/dbraw/zinc/07/65/47/846076547.db2.gz HXOUFXSLMSGLHU-UHFFFAOYSA-N 2 0 357.480 -0.354 20 0 FBADRP CCOc1ccc(NC(=O)NC)cc1S(=O)(=O)N(CC[NH3+])CC[NH3+] ZINC001239096529 846077806 /nfs/dbraw/zinc/07/78/06/846077806.db2.gz JOQVTFOUKGOVGQ-UHFFFAOYSA-N 2 0 359.452 -0.255 20 0 FBADRP [NH3+]CCN(CC[NH3+])S(=O)(=O)c1ccc(NC(=O)N2CCOCC2)cc1 ZINC001239097499 846078741 /nfs/dbraw/zinc/07/87/41/846078741.db2.gz VNLYLJMNVJQGBA-UHFFFAOYSA-N 2 0 371.463 -0.541 20 0 FBADRP NC(=O)C1CC[NH+](C2CCN(S(=O)(=O)CC3CC[NH2+]CC3)CC2)CC1 ZINC001239109835 846078385 /nfs/dbraw/zinc/07/83/85/846078385.db2.gz AOCDYKCDDGNSEW-UHFFFAOYSA-N 2 0 372.535 -0.023 20 0 FBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(S(=O)(=O)C3CC[NH2+]CC3)C[C@H]1C2 ZINC001239110151 846078406 /nfs/dbraw/zinc/07/84/06/846078406.db2.gz JVQVNNRFNVJQHF-UJDVCPFMSA-N 2 0 357.476 -0.601 20 0 FBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(S(=O)(=O)CC3CC[NH2+]CC3)C[C@H]1C2 ZINC001239110552 846078453 /nfs/dbraw/zinc/07/84/53/846078453.db2.gz OTENGCOHTDLTMG-DLTWYDFYSA-N 2 0 371.503 -0.354 20 0 FBADRP CCOC(=O)[C@]12CN(S(=O)(=O)CC3CC[NH2+]CC3)C[C@H]1C[NH2+]CC2 ZINC001239111704 846079699 /nfs/dbraw/zinc/07/96/99/846079699.db2.gz UBZCWEWBNDIYAF-GDBMZVCRSA-N 2 0 359.492 -0.210 20 0 FBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])S(=O)(=O)c1ccc(Cl)cn1 ZINC001239130325 846080102 /nfs/dbraw/zinc/08/01/02/846080102.db2.gz ADTKXLSAFVZFSD-UHFFFAOYSA-N 2 0 363.871 -0.461 20 0 FBADRP COc1ccc(S(=O)(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+])cc1 ZINC001239130343 846080337 /nfs/dbraw/zinc/08/03/37/846080337.db2.gz AIJIOXAEDQBXGP-UHFFFAOYSA-N 2 0 358.464 -0.500 20 0 FBADRP COc1ccc(CS(=O)(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+])cc1 ZINC001239130354 846080492 /nfs/dbraw/zinc/08/04/92/846080492.db2.gz AMMCZRZYJDFLEP-UHFFFAOYSA-N 2 0 372.491 -0.359 20 0 FBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])S(=O)(=O)c1ccc2n[nH]cc2c1 ZINC001239130364 846080450 /nfs/dbraw/zinc/08/04/50/846080450.db2.gz ARNJUGYXMZVMGT-UHFFFAOYSA-N 2 0 368.463 -0.633 20 0 FBADRP Cc1c(F)cccc1S(=O)(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001239130388 846080540 /nfs/dbraw/zinc/08/05/40/846080540.db2.gz BAVHPMRSTYXBAS-UHFFFAOYSA-N 2 0 360.455 -0.061 20 0 FBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])S(=O)(=O)c1ccc(F)c(F)c1 ZINC001239130470 846080410 /nfs/dbraw/zinc/08/04/10/846080410.db2.gz BQEVUUQHNJTXGY-UHFFFAOYSA-N 2 0 364.418 -0.231 20 0 FBADRP Cc1ccccc1CS(=O)(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001239130511 846080630 /nfs/dbraw/zinc/08/06/30/846080630.db2.gz CCZHKKXXQCAKIE-UHFFFAOYSA-N 2 0 356.492 -0.059 20 0 FBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])S(=O)(=O)c1ccc(F)cc1F ZINC001239130512 846080239 /nfs/dbraw/zinc/08/02/39/846080239.db2.gz CEKATSFKSGXORK-UHFFFAOYSA-N 2 0 364.418 -0.231 20 0 FBADRP COc1ccc(S(=O)(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+])c(C)c1 ZINC001239130527 846080294 /nfs/dbraw/zinc/08/02/94/846080294.db2.gz CHUIPHVIBWKIPV-UHFFFAOYSA-N 2 0 372.491 -0.192 20 0 FBADRP Cc1cc(F)ccc1S(=O)(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001239130566 846080512 /nfs/dbraw/zinc/08/05/12/846080512.db2.gz DIGVZKKROLFBKF-UHFFFAOYSA-N 2 0 360.455 -0.061 20 0 FBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])S(=O)(=O)c1ccc2c(c1)OCO2 ZINC001239130567 846080140 /nfs/dbraw/zinc/08/01/40/846080140.db2.gz DKEJRBMXPOIHJG-UHFFFAOYSA-N 2 0 372.447 -0.780 20 0 FBADRP COc1ccc(C)cc1S(=O)(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001239130573 846080175 /nfs/dbraw/zinc/08/01/75/846080175.db2.gz DMUQWNROTJEHBU-UHFFFAOYSA-N 2 0 372.491 -0.192 20 0 FBADRP C[NH+]1CCN(C2CC[NH+](C3CCN(S(=O)(=O)CC[NH3+])CC3)CC2)CC1 ZINC001239130725 846080607 /nfs/dbraw/zinc/08/06/07/846080607.db2.gz FBIAKPSNFMBSLD-UHFFFAOYSA-N 3 0 373.567 -0.549 20 0 FBADRP C[Si](C)(C)CCS(=O)(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001239130780 837284131 /nfs/dbraw/zinc/28/41/31/837284131.db2.gz FQUZBALKLJXQID-UHFFFAOYSA-N 2 0 352.577 -0.230 20 0 FBADRP COc1cccc(CS(=O)(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+])c1 ZINC001239130797 846080091 /nfs/dbraw/zinc/08/00/91/846080091.db2.gz FYOMYBGFAGHJIK-UHFFFAOYSA-N 2 0 372.491 -0.359 20 0 FBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])S(=O)(=O)c1ccc2c(c1)CCO2 ZINC001239130820 846080662 /nfs/dbraw/zinc/08/06/62/846080662.db2.gz GLGHYYNYCNGLSP-UHFFFAOYSA-N 2 0 370.475 -0.574 20 0 FBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])S(=O)(=O)c1ccc2c(c1)CCC2 ZINC001239130846 846080183 /nfs/dbraw/zinc/08/01/83/846080183.db2.gz HFRQUIOBAOATFO-UHFFFAOYSA-N 2 0 368.503 -0.020 20 0 FBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])S(=O)(=O)c1cc(F)ccc1F ZINC001239130889 846080688 /nfs/dbraw/zinc/08/06/88/846080688.db2.gz HTQRJTHAFVOJFL-UHFFFAOYSA-N 2 0 364.418 -0.231 20 0 FBADRP Cc1cccc(S(=O)(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+])c1F ZINC001239130932 846080348 /nfs/dbraw/zinc/08/03/48/846080348.db2.gz IMQYFPFQMQCHLW-UHFFFAOYSA-N 2 0 360.455 -0.061 20 0 FBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])S(=O)(=O)c1cccc2nonc21 ZINC001239130976 846080130 /nfs/dbraw/zinc/08/01/30/846080130.db2.gz IRFZIWQANMFKAF-UHFFFAOYSA-N 2 0 370.435 -0.973 20 0 FBADRP CC(=O)c1cccc(S(=O)(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+])c1 ZINC001239131028 846080467 /nfs/dbraw/zinc/08/04/67/846080467.db2.gz JMBDPGHKNWKKRE-UHFFFAOYSA-N 2 0 370.475 -0.306 20 0 FBADRP Cc1ccc(CS(=O)(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+])cc1 ZINC001239131045 846080116 /nfs/dbraw/zinc/08/01/16/846080116.db2.gz JPGHCPHLYIMQEB-UHFFFAOYSA-N 2 0 356.492 -0.059 20 0 FBADRP COc1cccc(S(=O)(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+])c1 ZINC001239131216 846080368 /nfs/dbraw/zinc/08/03/68/846080368.db2.gz KENIUOJWWKCSLG-UHFFFAOYSA-N 2 0 358.464 -0.500 20 0 FBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])S(=O)(=O)c1cnccc1Cl ZINC001239131224 846080532 /nfs/dbraw/zinc/08/05/32/846080532.db2.gz KHFZHTLWKDRPGM-UHFFFAOYSA-N 2 0 363.871 -0.461 20 0 FBADRP Cc1ccc(S(=O)(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+])c(F)c1 ZINC001239131255 846080441 /nfs/dbraw/zinc/08/04/41/846080441.db2.gz LAJIMBQVVUWRKQ-UHFFFAOYSA-N 2 0 360.455 -0.061 20 0 FBADRP COc1cc(C)ccc1S(=O)(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001239131275 846080220 /nfs/dbraw/zinc/08/02/20/846080220.db2.gz LHAFJOQRFFOMPV-UHFFFAOYSA-N 2 0 372.491 -0.192 20 0 FBADRP Cc1cccc(CS(=O)(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+])c1 ZINC001239131354 846080641 /nfs/dbraw/zinc/08/06/41/846080641.db2.gz MUSZOZVILMDVMV-UHFFFAOYSA-N 2 0 356.492 -0.059 20 0 FBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])S(=O)(=O)c1ncc(F)cc1F ZINC001239131359 846080073 /nfs/dbraw/zinc/08/00/73/846080073.db2.gz MZUOIGFARYFRAK-UHFFFAOYSA-N 2 0 365.406 -0.836 20 0 FBADRP Cc1cc(S(=O)(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+])ccc1F ZINC001239131362 846080552 /nfs/dbraw/zinc/08/05/52/846080552.db2.gz NAOKVHKVIRTZCR-UHFFFAOYSA-N 2 0 360.455 -0.061 20 0 FBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])S(=O)(=O)CCc1ccc(F)cc1 ZINC001239131375 846080704 /nfs/dbraw/zinc/08/07/04/846080704.db2.gz NLYRSUXMZFLVPR-UHFFFAOYSA-N 2 0 374.482 -0.186 20 0 FBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])S(=O)(=O)C(Cl)(Cl)Cl ZINC001239131418 846080561 /nfs/dbraw/zinc/08/05/61/846080561.db2.gz OVOLFGRVAPJKMO-UHFFFAOYSA-N 2 0 369.702 -0.240 20 0 FBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])S(=O)(=O)CCc1ccccc1 ZINC001239131516 846080671 /nfs/dbraw/zinc/08/06/71/846080671.db2.gz PKNPRGCAEKXYTL-UHFFFAOYSA-N 2 0 356.492 -0.325 20 0 FBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])S(=O)(=O)Cc1ccc(F)cc1 ZINC001239131559 846080153 /nfs/dbraw/zinc/08/01/53/846080153.db2.gz QZLNFSCMXLDYQR-UHFFFAOYSA-N 2 0 360.455 -0.229 20 0 FBADRP COc1ccccc1S(=O)(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001239131562 846080649 /nfs/dbraw/zinc/08/06/49/846080649.db2.gz RADPOKUWRLCJKK-UHFFFAOYSA-N 2 0 358.464 -0.500 20 0 FBADRP Cc1ccc(S(=O)(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+])cc1F ZINC001239131607 846080423 /nfs/dbraw/zinc/08/04/23/846080423.db2.gz RZWFSIRSIUSYCX-UHFFFAOYSA-N 2 0 360.455 -0.061 20 0 FBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])S(=O)(=O)c1cccc(Cl)n1 ZINC001239131667 846080484 /nfs/dbraw/zinc/08/04/84/846080484.db2.gz SXRJTHRZUMOXEG-UHFFFAOYSA-N 2 0 363.871 -0.461 20 0 FBADRP Cc1ccc(F)cc1S(=O)(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001239131690 846080053 /nfs/dbraw/zinc/08/00/53/846080053.db2.gz UAWRVWMANZJGKI-UHFFFAOYSA-N 2 0 360.455 -0.061 20 0 FBADRP CC(=O)c1ccc(S(=O)(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+])cc1 ZINC001239131691 846080165 /nfs/dbraw/zinc/08/01/65/846080165.db2.gz UBFMYVUBYJYYPW-UHFFFAOYSA-N 2 0 370.475 -0.306 20 0 FBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])S(=O)(=O)c1cccnc1Cl ZINC001239131823 846080402 /nfs/dbraw/zinc/08/04/02/846080402.db2.gz VLKINMSQXJQXCP-UHFFFAOYSA-N 2 0 363.871 -0.461 20 0 FBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])S(=O)(=O)CCc1cccc(F)c1 ZINC001239131845 846080305 /nfs/dbraw/zinc/08/03/05/846080305.db2.gz VYHWEEUURNSDEZ-UHFFFAOYSA-N 2 0 374.482 -0.186 20 0 FBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])S(=O)(=O)Cc1ccccc1F ZINC001239131859 846080194 /nfs/dbraw/zinc/08/01/94/846080194.db2.gz WGNHOEWQWNMWAS-UHFFFAOYSA-N 2 0 360.455 -0.229 20 0 FBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])S(=O)(=O)CCc1ccccc1F ZINC001239131867 846080389 /nfs/dbraw/zinc/08/03/89/846080389.db2.gz WLACSKOOTUNENY-UHFFFAOYSA-N 2 0 374.482 -0.186 20 0 FBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])S(=O)(=O)c1cc(F)cc(F)c1 ZINC001239131906 846080698 /nfs/dbraw/zinc/08/06/98/846080698.db2.gz XDMAKMXAEDYXEF-UHFFFAOYSA-N 2 0 364.418 -0.231 20 0 FBADRP Cc1ccc(F)c(S(=O)(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+])c1 ZINC001239131912 846080210 /nfs/dbraw/zinc/08/02/10/846080210.db2.gz XFKRNWZSQAXULN-UHFFFAOYSA-N 2 0 360.455 -0.061 20 0 FBADRP COc1ccc(S(=O)(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+])cc1C ZINC001239131930 846080383 /nfs/dbraw/zinc/08/03/83/846080383.db2.gz XHQQXQUKXOOMQP-UHFFFAOYSA-N 2 0 372.491 -0.192 20 0 FBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])S(=O)(=O)c1ccc(Cl)nc1 ZINC001239131963 846080327 /nfs/dbraw/zinc/08/03/27/846080327.db2.gz XVBSDDCYCPSPLN-UHFFFAOYSA-N 2 0 363.871 -0.461 20 0 FBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])S(=O)(=O)c1c(F)cccc1F ZINC001239132001 846080313 /nfs/dbraw/zinc/08/03/13/846080313.db2.gz YEABEBWSAJKETK-UHFFFAOYSA-N 2 0 364.418 -0.231 20 0 FBADRP O=S(=O)([C@H]1CC[NH2+]C1)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001239140270 846083029 /nfs/dbraw/zinc/08/30/29/846083029.db2.gz FTAHDTGPPCWKFJ-KRWDZBQOSA-N 2 0 374.551 -0.298 20 0 FBADRP O=S(=O)([C@@H]1CC[NH2+]C1)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001239140271 846083073 /nfs/dbraw/zinc/08/30/73/846083073.db2.gz FTAHDTGPPCWKFJ-QGZVFWFLSA-N 2 0 374.551 -0.298 20 0 FBADRP O=S(=O)([C@H]1CC[NH2+]C1)N(CCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001239142869 846083116 /nfs/dbraw/zinc/08/31/16/846083116.db2.gz XJIXGWCIPKHEFW-INIZCTEOSA-N 2 0 360.524 -0.688 20 0 FBADRP O=S(=O)([C@@H]1CC[NH2+]C1)N(CCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001239142870 846084352 /nfs/dbraw/zinc/08/43/52/846084352.db2.gz XJIXGWCIPKHEFW-MRXNPFEDSA-N 2 0 360.524 -0.688 20 0 FBADRP O=S(=O)(C1CC[NH2+]CC1)N(CCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001239142956 846084041 /nfs/dbraw/zinc/08/40/41/846084041.db2.gz ZXBLIFRZNMFICN-UHFFFAOYSA-N 2 0 374.551 -0.298 20 0 FBADRP CCOC(=O)[C@@H]1CN(S(=O)(=O)CC2CC[NH2+]CC2)CCC12C[NH2+]C2 ZINC001239180963 846084257 /nfs/dbraw/zinc/08/42/57/846084257.db2.gz KMNJSHFFCMYVBQ-AWEZNQCLSA-N 2 0 359.492 -0.210 20 0 FBADRP CCOC(=O)[C@H]1CN(S(=O)(=O)CC2CC[NH2+]CC2)CCC12C[NH2+]C2 ZINC001239180964 846084309 /nfs/dbraw/zinc/08/43/09/846084309.db2.gz KMNJSHFFCMYVBQ-CQSZACIVSA-N 2 0 359.492 -0.210 20 0 FBADRP CCOC(=O)CC[C@H](NC(=O)NCCC[NH2+]CCC[NH3+])C(=O)OCC ZINC001239252293 846084287 /nfs/dbraw/zinc/08/42/87/846084287.db2.gz CBZJZRJDVOCOCJ-ZDUSSCGKSA-N 2 0 360.455 -0.111 20 0 FBADRP COC(=O)[C@H](CC(C)C)NC(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001239299021 846084390 /nfs/dbraw/zinc/08/43/90/846084390.db2.gz JGYNLMZKUDAUAJ-ZDUSSCGKSA-N 2 0 359.471 -0.601 20 0 FBADRP CC[C@H](C)[C@H](NC(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+])C(=O)OC ZINC001239300393 846083799 /nfs/dbraw/zinc/08/37/99/846083799.db2.gz WKTYYNPCNOSVQF-JSGCOSHPSA-N 2 0 359.471 -0.601 20 0 FBADRP [NH3+]CCNC(=S)Nc1ncc(Br)nc1N1CC[NH2+]CC1 ZINC001239341248 846084297 /nfs/dbraw/zinc/08/42/97/846084297.db2.gz IHYXJDJPDDHXIP-UHFFFAOYSA-N 2 0 360.285 -0.106 20 0 FBADRP CCC(CC)[C@@H](NC(=S)NCC[NH3+])[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001239388957 846083832 /nfs/dbraw/zinc/08/38/32/846083832.db2.gz ABOHPIOWHGCQAH-RYMFRWLXSA-N 2 0 360.524 -0.289 20 0 FBADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=S)NCC[NH3+])C2 ZINC001239430500 846084056 /nfs/dbraw/zinc/08/40/56/846084056.db2.gz BUIAIXQFLUEFCQ-NEPJUHHUSA-N 2 0 354.398 -0.163 20 0 FBADRP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=S)NCC[NH3+])C2 ZINC001239430530 846084407 /nfs/dbraw/zinc/08/44/07/846084407.db2.gz BUIAIXQFLUEFCQ-NWDGAFQWSA-N 2 0 354.398 -0.163 20 0 FBADRP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=S)NCC[NH3+])C2 ZINC001239430532 846083706 /nfs/dbraw/zinc/08/37/06/846083706.db2.gz BUIAIXQFLUEFCQ-RYUDHWBXSA-N 2 0 354.398 -0.163 20 0 FBADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=S)NCC[NH3+])C2 ZINC001239430534 846083908 /nfs/dbraw/zinc/08/39/08/846083908.db2.gz BUIAIXQFLUEFCQ-VXGBXAGGSA-N 2 0 354.398 -0.163 20 0 FBADRP CC[NH+](CC)CCCNC(=S)N(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001239450834 846084363 /nfs/dbraw/zinc/08/43/63/846084363.db2.gz HKHQRWWVQIUCOT-UHFFFAOYSA-N 3 0 360.572 -0.291 20 0 FBADRP C[S@@](=O)CCCCNC(=S)N(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001239451751 846083876 /nfs/dbraw/zinc/08/38/76/846083876.db2.gz LXKWYQMLRUNPGG-HSZRJFAPSA-N 2 0 365.569 -0.865 20 0 FBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])C(=S)NCC[NH+]1CCCCC1 ZINC001239453072 846083980 /nfs/dbraw/zinc/08/39/80/846083980.db2.gz SKCZHUMCPFLLHR-UHFFFAOYSA-N 2 0 358.556 -0.537 20 0 FBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])C(=S)NC(=O)c1ccccc1 ZINC001239453449 846084175 /nfs/dbraw/zinc/08/41/75/846084175.db2.gz VUJIRMGTHACXBM-UHFFFAOYSA-N 2 0 351.476 -0.183 20 0 FBADRP O[C@]1(CNc2ncc(Br)nc2N2CC[NH2+]CC2)CC[NH2+]C1 ZINC001245958556 846091480 /nfs/dbraw/zinc/09/14/80/846091480.db2.gz UVALUFZSKMOIMF-CYBMUJFWSA-N 2 0 357.256 -0.215 20 0 FBADRP O[C@@]1(CNc2ncc(Br)nc2N2CC[NH2+]CC2)CC[NH2+]C1 ZINC001245958561 846091531 /nfs/dbraw/zinc/09/15/31/846091531.db2.gz UVALUFZSKMOIMF-ZDUSSCGKSA-N 2 0 357.256 -0.215 20 0 FBADRP CCOC(=O)[C@H]1NC[C@@H]2[C@H]([NH2+]C[C@H](O)CC3(O)CC[NH2+]CC3)CC[C@@H]21 ZINC001245979013 846092829 /nfs/dbraw/zinc/09/28/29/846092829.db2.gz RSKQTLHPNUDNLJ-CWVYHPPDSA-N 2 0 355.479 -0.629 20 0 FBADRP CCOC(=O)[C@H]1NC[C@@H]2[C@H]([NH2+]C[C@@H](O)CC3(O)CC[NH2+]CC3)CC[C@@H]21 ZINC001245979014 846092144 /nfs/dbraw/zinc/09/21/44/846092144.db2.gz RSKQTLHPNUDNLJ-GVRJEKJASA-N 2 0 355.479 -0.629 20 0 FBADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]CCC(=O)N1CC[NH2+]CC1 ZINC001245984361 846092636 /nfs/dbraw/zinc/09/26/36/846092636.db2.gz PURUGHLIVSZRQF-JKSUJKDBSA-N 3 0 356.417 -0.393 20 0 FBADRP [NH3+]CCOCCOCCOCC[NH2+]C[C@@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC001245990457 846092654 /nfs/dbraw/zinc/09/26/54/846092654.db2.gz CUSGQQHTWZDAME-ZWKOTPCHSA-N 3 0 355.479 -0.485 20 0 FBADRP CCCOC[C@@H](O)C[NH2+]CCOCCOCCOCCOCC[NH3+] ZINC001245991220 846092193 /nfs/dbraw/zinc/09/21/93/846092193.db2.gz ULDTUYXCRWUFGY-INIZCTEOSA-N 2 0 352.472 -0.611 20 0 FBADRP CCCOC[C@H](O)C[NH2+]CCOCCOCCOCCOCC[NH3+] ZINC001245991284 846092983 /nfs/dbraw/zinc/09/29/83/846092983.db2.gz ULDTUYXCRWUFGY-MRXNPFEDSA-N 2 0 352.472 -0.611 20 0 FBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1NC[C@@H](O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1 ZINC001245996475 846092909 /nfs/dbraw/zinc/09/29/09/846092909.db2.gz RIGVGANWMHACQC-QKPAOTATSA-N 2 0 357.401 -0.064 20 0 FBADRP COC(=O)[C@@H]1C[NH2+]CC[C@@H]1NC[C@@H](O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1 ZINC001245999564 846092811 /nfs/dbraw/zinc/09/28/11/846092811.db2.gz ALIYLJDDPLIMHA-FXUDXRNXSA-N 2 0 357.401 -0.064 20 0 FBADRP CCOC(=O)C[C@H]([NH2+]C[C@H](O)CC1(O)CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC001246005268 846092806 /nfs/dbraw/zinc/09/28/06/846092806.db2.gz UPUNNYRZXQXAJM-CVEARBPZSA-N 3 0 357.495 -0.237 20 0 FBADRP CCOC(=O)C[C@H]([NH2+]C[C@@H](O)CC1(O)CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC001246005293 846092675 /nfs/dbraw/zinc/09/26/75/846092675.db2.gz UPUNNYRZXQXAJM-HOTGVXAUSA-N 3 0 357.495 -0.237 20 0 FBADRP CCOC(=O)C[C@@H]([NH2+]C[C@H](O)CC1(O)CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC001246005298 846092854 /nfs/dbraw/zinc/09/28/54/846092854.db2.gz UPUNNYRZXQXAJM-HZPDHXFCSA-N 3 0 357.495 -0.237 20 0 FBADRP CCOC(=O)C[C@@H]([NH2+]C[C@@H](O)CC1(O)CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC001246005308 846092206 /nfs/dbraw/zinc/09/22/06/846092206.db2.gz UPUNNYRZXQXAJM-JKSUJKDBSA-N 3 0 357.495 -0.237 20 0 FBADRP CCC(CC)[C@@H](NC[C@]1(O)CC[NH2+]C1)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001246010151 846092369 /nfs/dbraw/zinc/09/23/69/846092369.db2.gz XRDHQFOODIXYTJ-AIVZJVSBSA-N 2 0 357.495 -0.398 20 0 FBADRP CCC(CC)[C@@H](NC[C@@]1(O)CC[NH2+]C1)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001246010157 846092555 /nfs/dbraw/zinc/09/25/55/846092555.db2.gz XRDHQFOODIXYTJ-DGYIVEFISA-N 2 0 357.495 -0.398 20 0 FBADRP COC(=O)[C@@H](NC[C@@H](O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1)[C@@H]1CC[NH2+]C1 ZINC001246013992 846092581 /nfs/dbraw/zinc/09/25/81/846092581.db2.gz KINKLXICMPKWHJ-CAPXZKIUSA-N 2 0 357.401 -0.064 20 0 FBADRP COC(=O)[C@H](NC[C@@H](O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1)[C@H]1CC[NH2+]C1 ZINC001246014201 846092134 /nfs/dbraw/zinc/09/21/34/846092134.db2.gz KINKLXICMPKWHJ-DANNLKNASA-N 2 0 357.401 -0.064 20 0 FBADRP COC(=O)[C@@H](NC[C@@H](O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1)[C@H]1CC[NH2+]C1 ZINC001246014202 846092242 /nfs/dbraw/zinc/09/22/42/846092242.db2.gz KINKLXICMPKWHJ-KSYCFECVSA-N 2 0 357.401 -0.064 20 0 FBADRP COC(=O)[C@H](NC[C@@H](O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1)[C@@H]1CC[NH2+]C1 ZINC001246014204 846092933 /nfs/dbraw/zinc/09/29/33/846092933.db2.gz KINKLXICMPKWHJ-MSQAHXEGSA-N 2 0 357.401 -0.064 20 0 FBADRP CNC(=O)[C@H](CCCC[NH3+])[NH2+]C[C@H](O)COc1ccc(CCO)cc1 ZINC001246022094 846092746 /nfs/dbraw/zinc/09/27/46/846092746.db2.gz VCYUFCIFQXUHON-RDJZCZTQSA-N 2 0 353.463 -0.206 20 0 FBADRP CNC(=O)[C@H](CCCC[NH3+])[NH2+]C[C@@H](O)COc1ccc(CCO)cc1 ZINC001246022098 846092534 /nfs/dbraw/zinc/09/25/34/846092534.db2.gz VCYUFCIFQXUHON-WBVHZDCISA-N 2 0 353.463 -0.206 20 0 FBADRP COC(=O)c1ccc([C@@H](N)C[NH2+]C[C@H](O)CC2(O)CC[NH2+]CC2)cc1 ZINC001246022953 846092680 /nfs/dbraw/zinc/09/26/80/846092680.db2.gz YSQAGFNARHPRMU-CVEARBPZSA-N 2 0 351.447 -0.072 20 0 FBADRP COC(=O)c1ccc([C@@H](N)C[NH2+]C[C@@H](O)CC2(O)CC[NH2+]CC2)cc1 ZINC001246022955 846092297 /nfs/dbraw/zinc/09/22/97/846092297.db2.gz YSQAGFNARHPRMU-HOTGVXAUSA-N 2 0 351.447 -0.072 20 0 FBADRP COC(=O)c1ccc([C@H](N)C[NH2+]C[C@H](O)CC2(O)CC[NH2+]CC2)cc1 ZINC001246022956 846092860 /nfs/dbraw/zinc/09/28/60/846092860.db2.gz YSQAGFNARHPRMU-HZPDHXFCSA-N 2 0 351.447 -0.072 20 0 FBADRP COC(=O)c1ccc([C@H](N)C[NH2+]C[C@@H](O)CC2(O)CC[NH2+]CC2)cc1 ZINC001246022957 846092391 /nfs/dbraw/zinc/09/23/91/846092391.db2.gz YSQAGFNARHPRMU-JKSUJKDBSA-N 2 0 351.447 -0.072 20 0 FBADRP [NH3+]CCCC[C@H]([NH2+]C[C@H](O)CC1(O)CC[NH2+]CC1)C(=O)N1CCCC1 ZINC001246023019 846092823 /nfs/dbraw/zinc/09/28/23/846092823.db2.gz ZJTDTTJGHKZUGC-CVEARBPZSA-N 3 0 356.511 -0.439 20 0 FBADRP [NH3+]CCCC[C@H]([NH2+]C[C@@H](O)CC1(O)CC[NH2+]CC1)C(=O)N1CCCC1 ZINC001246023028 846093604 /nfs/dbraw/zinc/09/36/04/846093604.db2.gz ZJTDTTJGHKZUGC-HOTGVXAUSA-N 3 0 356.511 -0.439 20 0 FBADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001246027522 846093526 /nfs/dbraw/zinc/09/35/26/846093526.db2.gz XQEJLTMOOXZXET-UXLLHSPISA-N 2 0 354.401 -0.641 20 0 FBADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001246027536 846093609 /nfs/dbraw/zinc/09/36/09/846093609.db2.gz XQEJLTMOOXZXET-ZMSDIMECSA-N 2 0 354.401 -0.641 20 0 FBADRP O[C@H](CN1Cc2ncnn2C2(CC[NH2+]CC2)C1)CC1(O)CC[NH2+]CC1 ZINC001246027598 846093544 /nfs/dbraw/zinc/09/35/44/846093544.db2.gz BDFCHIMKKMRRCS-AWEZNQCLSA-N 2 0 350.467 -0.962 20 0 FBADRP O[C@@H](CN1Cc2ncnn2C2(CC[NH2+]CC2)C1)CC1(O)CC[NH2+]CC1 ZINC001246027638 846093375 /nfs/dbraw/zinc/09/33/75/846093375.db2.gz BDFCHIMKKMRRCS-CQSZACIVSA-N 2 0 350.467 -0.962 20 0 FBADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C[C@]1(O)CC[NH2+]C1)C2 ZINC001246033277 846093663 /nfs/dbraw/zinc/09/36/63/846093663.db2.gz NAYHWHRSIRFUTG-BFHYXJOUSA-N 2 0 351.369 -0.272 20 0 FBADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C[C@@]1(O)CC[NH2+]C1)C2 ZINC001246033323 846093722 /nfs/dbraw/zinc/09/37/22/846093722.db2.gz NAYHWHRSIRFUTG-MCIONIFRSA-N 2 0 351.369 -0.272 20 0 FBADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C[C@@]1(O)CC[NH2+]C1)C2 ZINC001246033326 846093513 /nfs/dbraw/zinc/09/35/13/846093513.db2.gz NAYHWHRSIRFUTG-MGPQQGTHSA-N 2 0 351.369 -0.272 20 0 FBADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C[C@]1(O)CC[NH2+]C1)C2 ZINC001246033331 846093794 /nfs/dbraw/zinc/09/37/94/846093794.db2.gz NAYHWHRSIRFUTG-MJBXVCDLSA-N 2 0 351.369 -0.272 20 0 FBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](C[C@@H](O)CN3CCOCC3)C[C@H]1C2 ZINC001246044975 846093732 /nfs/dbraw/zinc/09/37/32/846093732.db2.gz IMHSOUQYCNXKSI-JFBPSJKJSA-N 2 0 353.463 -0.990 20 0 FBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](C[C@H](O)CN3CCOCC3)C[C@H]1C2 ZINC001246044980 846093448 /nfs/dbraw/zinc/09/34/48/846093448.db2.gz IMHSOUQYCNXKSI-QFXBJFAPSA-N 2 0 353.463 -0.990 20 0 FBADRP CCOC(=O)[C@]12C[N@H+](C[C@H](O)CC3(O)CC[NH2+]CC3)C[C@H]1C[NH2+]CC2 ZINC001246048280 846093971 /nfs/dbraw/zinc/09/39/71/846093971.db2.gz WHLKVCJSQBWYIZ-IIDMSEBBSA-N 3 0 355.479 -0.674 20 0 FBADRP CCOC(=O)[C@]12C[N@H+](C[C@@H](O)CC3(O)CC[NH2+]CC3)C[C@H]1C[NH2+]CC2 ZINC001246048282 846093695 /nfs/dbraw/zinc/09/36/95/846093695.db2.gz WHLKVCJSQBWYIZ-RVKKMQEKSA-N 3 0 355.479 -0.674 20 0 FBADRP Cc1ccccc1OC[C@@H](O)CN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246049745 846093925 /nfs/dbraw/zinc/09/39/25/846093925.db2.gz ARTAJKSYBNOMSH-INIZCTEOSA-N 2 0 352.479 -0.149 20 0 FBADRP Cc1ccccc1OC[C@H](O)CN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246049746 846093832 /nfs/dbraw/zinc/09/38/32/846093832.db2.gz ARTAJKSYBNOMSH-MRXNPFEDSA-N 2 0 352.479 -0.149 20 0 FBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])C[C@H](O)COCc1ccccc1 ZINC001246050296 846093780 /nfs/dbraw/zinc/09/37/80/846093780.db2.gz DJXOCAAUILXRJT-KRWDZBQOSA-N 3 0 352.479 -0.320 20 0 FBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])C[C@@H](O)COCc1ccccc1 ZINC001246050301 846093560 /nfs/dbraw/zinc/09/35/60/846093560.db2.gz DJXOCAAUILXRJT-QGZVFWFLSA-N 3 0 352.479 -0.320 20 0 FBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])C[C@@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC001246052209 846093799 /nfs/dbraw/zinc/09/37/99/846093799.db2.gz JCOKMJZLVMZKBT-DLBZAZTESA-N 3 0 351.495 -0.967 20 0 FBADRP Cc1ccc(OC[C@@H](O)CN(CCC[NH3+])CC(=O)NCCC[NH3+])cc1 ZINC001246052700 846093963 /nfs/dbraw/zinc/09/39/63/846093963.db2.gz LNRGSSIQMDCMLC-INIZCTEOSA-N 2 0 352.479 -0.149 20 0 FBADRP Cc1ccc(OC[C@H](O)CN(CCC[NH3+])CC(=O)NCCC[NH3+])cc1 ZINC001246052701 846093685 /nfs/dbraw/zinc/09/36/85/846093685.db2.gz LNRGSSIQMDCMLC-MRXNPFEDSA-N 2 0 352.479 -0.149 20 0 FBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])C[C@H](O)COc1cccc(F)c1 ZINC001246054525 846093657 /nfs/dbraw/zinc/09/36/57/846093657.db2.gz OQSACAYUODOJLH-HNNXBMFYSA-N 2 0 356.442 -0.319 20 0 FBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])C[C@@H](O)COc1cccc(F)c1 ZINC001246054529 846093461 /nfs/dbraw/zinc/09/34/61/846093461.db2.gz OQSACAYUODOJLH-OAHLLOKOSA-N 2 0 356.442 -0.319 20 0 FBADRP O[C@H](COc1ccc(F)cc1F)CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001246055141 846093356 /nfs/dbraw/zinc/09/33/56/846093356.db2.gz KSRHDLWIYNYQFB-HNNXBMFYSA-N 2 0 358.433 -0.211 20 0 FBADRP O[C@@H](COc1ccc(F)cc1F)CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001246055142 846093866 /nfs/dbraw/zinc/09/38/66/846093866.db2.gz KSRHDLWIYNYQFB-OAHLLOKOSA-N 2 0 358.433 -0.211 20 0 FBADRP O[C@@H](COCC(F)(F)C(F)F)CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001246055173 846093937 /nfs/dbraw/zinc/09/39/37/846093937.db2.gz LRESUGGXIUKRCZ-GFCCVEGCSA-N 2 0 360.396 -0.651 20 0 FBADRP O[C@H](COCC(F)(F)C(F)F)CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001246055174 846093741 /nfs/dbraw/zinc/09/37/41/846093741.db2.gz LRESUGGXIUKRCZ-LBPRGKRZSA-N 2 0 360.396 -0.651 20 0 FBADRP COc1cccc(OC[C@@H](O)CN2CC[NH2+]CCNCC[NH2+]CC2)c1 ZINC001246055177 846093426 /nfs/dbraw/zinc/09/34/26/846093426.db2.gz LTQZWBPVPSLKAA-INIZCTEOSA-N 2 0 352.479 -0.481 20 0 FBADRP COc1cccc(OC[C@H](O)CN2CC[NH2+]CCNCC[NH2+]CC2)c1 ZINC001246055178 846093399 /nfs/dbraw/zinc/09/33/99/846093399.db2.gz LTQZWBPVPSLKAA-MRXNPFEDSA-N 2 0 352.479 -0.481 20 0 FBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])C[C@H](O)COc1ccc(F)cc1 ZINC001246055912 846093632 /nfs/dbraw/zinc/09/36/32/846093632.db2.gz UCSUTZCKSVUHRU-HNNXBMFYSA-N 2 0 356.442 -0.319 20 0 FBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])C[C@@H](O)COc1ccc(F)cc1 ZINC001246055917 846093692 /nfs/dbraw/zinc/09/36/92/846093692.db2.gz UCSUTZCKSVUHRU-OAHLLOKOSA-N 2 0 356.442 -0.319 20 0 FBADRP CCOC(=O)C1CCC(O)(C[NH+]2CCNCC[NH2+]CCNCC2)CC1 ZINC001246056356 846093433 /nfs/dbraw/zinc/09/34/33/846093433.db2.gz OSMCPXKSHPYVGN-UHFFFAOYSA-N 2 0 356.511 -0.445 20 0 FBADRP COc1ccc(OC[C@@H](O)CN2CC[NH2+]CCNCC[NH2+]CC2)cc1 ZINC001246058465 846093763 /nfs/dbraw/zinc/09/37/63/846093763.db2.gz VQTXCOQTTGVLPQ-INIZCTEOSA-N 2 0 352.479 -0.481 20 0 FBADRP COc1ccc(OC[C@H](O)CN2CC[NH2+]CCNCC[NH2+]CC2)cc1 ZINC001246058466 846093409 /nfs/dbraw/zinc/09/34/09/846093409.db2.gz VQTXCOQTTGVLPQ-MRXNPFEDSA-N 2 0 352.479 -0.481 20 0 FBADRP COc1ccccc1OC[C@@H](O)CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001246059044 846093539 /nfs/dbraw/zinc/09/35/39/846093539.db2.gz YGPAZGCCALYZRJ-INIZCTEOSA-N 2 0 352.479 -0.481 20 0 FBADRP COc1ccccc1OC[C@H](O)CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001246059045 846093877 /nfs/dbraw/zinc/09/38/77/846093877.db2.gz YGPAZGCCALYZRJ-MRXNPFEDSA-N 2 0 352.479 -0.481 20 0 FBADRP CCOC(=O)[C@@H]1C[N@H+](C[C@H](O)CC2(O)CC[NH2+]CC2)CCC12C[NH2+]C2 ZINC001246061694 846093674 /nfs/dbraw/zinc/09/36/74/846093674.db2.gz USFKAZYKRVJCAW-CABCVRRESA-N 3 0 355.479 -0.674 20 0 FBADRP CCOC(=O)[C@@H]1C[N@H+](C[C@@H](O)CC2(O)CC[NH2+]CC2)CCC12C[NH2+]C2 ZINC001246061695 846093615 /nfs/dbraw/zinc/09/36/15/846093615.db2.gz USFKAZYKRVJCAW-GJZGRUSLSA-N 3 0 355.479 -0.674 20 0 FBADRP CCOC(=O)[C@H]1C[N@H+](C[C@H](O)CC2(O)CC[NH2+]CC2)CCC12C[NH2+]C2 ZINC001246061697 846094674 /nfs/dbraw/zinc/09/46/74/846094674.db2.gz USFKAZYKRVJCAW-HUUCEWRRSA-N 3 0 355.479 -0.674 20 0 FBADRP CCOC(=O)[C@H]1C[N@H+](C[C@@H](O)CC2(O)CC[NH2+]CC2)CCC12C[NH2+]C2 ZINC001246061700 846094549 /nfs/dbraw/zinc/09/45/49/846094549.db2.gz USFKAZYKRVJCAW-LSDHHAIUSA-N 3 0 355.479 -0.674 20 0 FBADRP COC(=O)CCS(=O)(=O)CC[C@@H](C)[NH2+]C[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001246084544 846094598 /nfs/dbraw/zinc/09/45/98/846094598.db2.gz UAXVEJZCLPTRLH-MBNYWOFBSA-N 2 0 354.444 -0.605 20 0 FBADRP COC(=O)CCS(=O)(=O)CC[C@H](C)[NH2+]C[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001246084550 846094971 /nfs/dbraw/zinc/09/49/71/846094971.db2.gz UAXVEJZCLPTRLH-SGMGOOAPSA-N 2 0 354.444 -0.605 20 0 FBADRP COC(=O)C1(C[NH2+][C@H]2CN[C@H](C(=O)N3CCSC3)C2)CC[NH2+]CC1 ZINC001246092412 846094756 /nfs/dbraw/zinc/09/47/56/846094756.db2.gz CBOYRCIXZRDLFR-OLZOCXBDSA-N 2 0 356.492 -0.618 20 0 FBADRP COC(=O)C1(C[NH2+][C@@H]2CN[C@H](C(=O)N3CCSC3)C2)CC[NH2+]CC1 ZINC001246092413 846094788 /nfs/dbraw/zinc/09/47/88/846094788.db2.gz CBOYRCIXZRDLFR-STQMWFEESA-N 2 0 356.492 -0.618 20 0 FBADRP CCOC1(OCC)CC[NH2+]C[C@@H]1N[C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246122631 846094587 /nfs/dbraw/zinc/09/45/87/846094587.db2.gz YIRLYUMYSVMFSW-ILXRZTDVSA-N 2 0 372.535 -0.029 20 0 FBADRP CCOC1(OCC)CC[NH2+]C[C@@H]1N[C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246122636 846094719 /nfs/dbraw/zinc/09/47/19/846094719.db2.gz YIRLYUMYSVMFSW-KKUMJFAQSA-N 2 0 372.535 -0.029 20 0 FBADRP CCOC1(OCC)CC[NH2+]C[C@H]1N[C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246122637 846094641 /nfs/dbraw/zinc/09/46/41/846094641.db2.gz YIRLYUMYSVMFSW-QLFBSQMISA-N 2 0 372.535 -0.029 20 0 FBADRP CCOC1(OCC)CC[NH2+]C[C@H]1N[C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246122639 846094482 /nfs/dbraw/zinc/09/44/82/846094482.db2.gz YIRLYUMYSVMFSW-SOUVJXGZSA-N 2 0 372.535 -0.029 20 0 FBADRP O=C([C@@H]1C[C@@H](NCc2nnn3c2C[NH2+]CCC3)C[NH2+]1)N1CCSC1 ZINC001246128769 846094571 /nfs/dbraw/zinc/09/45/71/846094571.db2.gz FHCCRMRHEYGSIL-NEPJUHHUSA-N 2 0 351.480 -0.876 20 0 FBADRP O=C([C@@H]1C[C@H](NCc2nnn3c2C[NH2+]CCC3)C[NH2+]1)N1CCSC1 ZINC001246128785 846094606 /nfs/dbraw/zinc/09/46/06/846094606.db2.gz FHCCRMRHEYGSIL-RYUDHWBXSA-N 2 0 351.480 -0.876 20 0 FBADRP O=C([C@@H]1C[C@@H](NCc2nnc3n2CCC[NH2+]C3)C[NH2+]1)N1CCSC1 ZINC001246129193 846094580 /nfs/dbraw/zinc/09/45/80/846094580.db2.gz CQLHSUBBKJGZCG-NEPJUHHUSA-N 2 0 351.480 -0.876 20 0 FBADRP O=C([C@@H]1C[C@H](NCc2nnc3n2CCC[NH2+]C3)C[NH2+]1)N1CCSC1 ZINC001246129196 846094532 /nfs/dbraw/zinc/09/45/32/846094532.db2.gz CQLHSUBBKJGZCG-RYUDHWBXSA-N 2 0 351.480 -0.876 20 0 FBADRP O=C([C@@H]1C[C@H]([NH2+]C[C@@H]2COC3(C2)CC[NH2+]CC3)CN1)N1CCSC1 ZINC001246129341 846094615 /nfs/dbraw/zinc/09/46/15/846094615.db2.gz VXZKODMYSNFUHT-ILXRZTDVSA-N 2 0 354.520 -0.002 20 0 FBADRP O=C([C@@H]1C[C@@H]([NH2+]C[C@@H]2COC3(C2)CC[NH2+]CC3)CN1)N1CCSC1 ZINC001246129342 846094603 /nfs/dbraw/zinc/09/46/03/846094603.db2.gz VXZKODMYSNFUHT-KFWWJZLASA-N 2 0 354.520 -0.002 20 0 FBADRP O=C([C@@H]1C[C@H]([NH2+]C[C@H]2COC3(C2)CC[NH2+]CC3)CN1)N1CCSC1 ZINC001246129343 846094523 /nfs/dbraw/zinc/09/45/23/846094523.db2.gz VXZKODMYSNFUHT-KKUMJFAQSA-N 2 0 354.520 -0.002 20 0 FBADRP O=C([C@@H]1C[C@@H]([NH2+]C[C@H]2COC3(C2)CC[NH2+]CC3)CN1)N1CCSC1 ZINC001246129344 846094876 /nfs/dbraw/zinc/09/48/76/846094876.db2.gz VXZKODMYSNFUHT-ZNMIVQPWSA-N 2 0 354.520 -0.002 20 0 FBADRP CCOC(=O)C[C@]1(N[C@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)CC[NH2+]C1 ZINC001246133910 846096056 /nfs/dbraw/zinc/09/60/56/846096056.db2.gz WQKGMFAZPVQAQI-DVOMOZLQSA-N 2 0 356.492 -0.475 20 0 FBADRP CCOC(=O)C[C@]1(N[C@@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)CC[NH2+]C1 ZINC001246133917 846095828 /nfs/dbraw/zinc/09/58/28/846095828.db2.gz WQKGMFAZPVQAQI-HEHGZKQESA-N 2 0 356.492 -0.475 20 0 FBADRP CCOC(=O)C[C@@]1(N[C@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)CC[NH2+]C1 ZINC001246133919 846095929 /nfs/dbraw/zinc/09/59/29/846095929.db2.gz WQKGMFAZPVQAQI-WWGRRREGSA-N 2 0 356.492 -0.475 20 0 FBADRP CCOC(=O)C[C@@]1(N[C@@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)CC[NH2+]C1 ZINC001246133922 846096089 /nfs/dbraw/zinc/09/60/89/846096089.db2.gz WQKGMFAZPVQAQI-XEZPLFJOSA-N 2 0 356.492 -0.475 20 0 FBADRP O=C([C@@H]1C[C@H](NC[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C[NH2+]1)N1CCSC1 ZINC001246138843 846096011 /nfs/dbraw/zinc/09/60/11/846096011.db2.gz CDSMUNLHVWOBTA-ILXRZTDVSA-N 3 0 353.536 -0.286 20 0 FBADRP O=C([C@@H]1C[C@@H](NC[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C[NH2+]1)N1CCSC1 ZINC001246138844 846095583 /nfs/dbraw/zinc/09/55/83/846095583.db2.gz CDSMUNLHVWOBTA-KFWWJZLASA-N 3 0 353.536 -0.286 20 0 FBADRP O=C([C@@H]1C[C@H](NC[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C[NH2+]1)N1CCSC1 ZINC001246138845 846095495 /nfs/dbraw/zinc/09/54/95/846095495.db2.gz CDSMUNLHVWOBTA-KKUMJFAQSA-N 3 0 353.536 -0.286 20 0 FBADRP O=C([C@@H]1C[C@@H](NC[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C[NH2+]1)N1CCSC1 ZINC001246138846 846095735 /nfs/dbraw/zinc/09/57/35/846095735.db2.gz CDSMUNLHVWOBTA-ZNMIVQPWSA-N 3 0 353.536 -0.286 20 0 FBADRP O=C([C@@H]1C[C@H]([NH2+]C[C@@H]2CO[C@@]3(C2)C[NH2+]CCOC3)CN1)N1CCSC1 ZINC001246140837 846095718 /nfs/dbraw/zinc/09/57/18/846095718.db2.gz CFWOEOLXEVZUPT-AESZEHBQSA-N 2 0 370.519 -0.766 20 0 FBADRP O=C([C@@H]1C[C@H]([NH2+]C[C@H]2CO[C@@]3(C2)C[NH2+]CCOC3)CN1)N1CCSC1 ZINC001246141040 846096147 /nfs/dbraw/zinc/09/61/47/846096147.db2.gz CFWOEOLXEVZUPT-JKQORVJESA-N 2 0 370.519 -0.766 20 0 FBADRP O=C([C@@H]1C[C@H]([NH2+]C[C@H]2CO[C@]3(C2)C[NH2+]CCOC3)CN1)N1CCSC1 ZINC001246141042 846096141 /nfs/dbraw/zinc/09/61/41/846096141.db2.gz CFWOEOLXEVZUPT-QBYUYEEZSA-N 2 0 370.519 -0.766 20 0 FBADRP O=C([C@@H]1C[C@H]([NH2+]C[C@@H]2CO[C@]3(C2)C[NH2+]CCOC3)CN1)N1CCSC1 ZINC001246141044 846096099 /nfs/dbraw/zinc/09/60/99/846096099.db2.gz CFWOEOLXEVZUPT-WBTNSWJXSA-N 2 0 370.519 -0.766 20 0 FBADRP COC(=O)C1C[C@@H]2CC(N[C@@H]3CCS(=O)(=O)C34C[NH2+]C4)C[C@H](C1)[NH2+]2 ZINC001246145372 846095694 /nfs/dbraw/zinc/09/56/94/846095694.db2.gz MQMXVSNUUYDQFF-OONHEIRLSA-N 2 0 357.476 -0.823 20 0 FBADRP COC(=O)C1C[C@@H]2CC(N[C@H]3CCS(=O)(=O)C34C[NH2+]C4)C[C@H](C1)[NH2+]2 ZINC001246145373 846096124 /nfs/dbraw/zinc/09/61/24/846096124.db2.gz MQMXVSNUUYDQFF-XGVQBZMBSA-N 2 0 357.476 -0.823 20 0 FBADRP O=C([C@@H]1C[C@@H](NC[C@@]23CCCO[C@@H]2CC[NH2+]C3)C[NH2+]1)N1CCSC1 ZINC001246153522 846095875 /nfs/dbraw/zinc/09/58/75/846095875.db2.gz SKZYPFZLDPLURA-DLTWYDFYSA-N 2 0 354.520 -0.002 20 0 FBADRP O=C([C@@H]1C[C@H](NC[C@@]23CCCO[C@@H]2CC[NH2+]C3)C[NH2+]1)N1CCSC1 ZINC001246153523 846095815 /nfs/dbraw/zinc/09/58/15/846095815.db2.gz SKZYPFZLDPLURA-MPTYRVRUSA-N 2 0 354.520 -0.002 20 0 FBADRP O=C([C@@H]1C[C@H]([NH2+]C[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)CN1)N1CCSC1 ZINC001246155839 846095894 /nfs/dbraw/zinc/09/58/94/846095894.db2.gz GMMZLHKSJDMNNR-AESZEHBQSA-N 2 0 354.520 -0.002 20 0 FBADRP O=C([C@@H]1C[C@H]([NH2+]C[C@H]2CO[C@]3(C2)CCC[NH2+]C3)CN1)N1CCSC1 ZINC001246155840 846095594 /nfs/dbraw/zinc/09/55/94/846095594.db2.gz GMMZLHKSJDMNNR-JKQORVJESA-N 2 0 354.520 -0.002 20 0 FBADRP O=C([C@@H]1C[C@H]([NH2+]C[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)CN1)N1CCSC1 ZINC001246155841 846095953 /nfs/dbraw/zinc/09/59/53/846095953.db2.gz GMMZLHKSJDMNNR-QBYUYEEZSA-N 2 0 354.520 -0.002 20 0 FBADRP O=C([C@@H]1C[C@H]([NH2+]C[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)CN1)N1CCSC1 ZINC001246155842 846095783 /nfs/dbraw/zinc/09/57/83/846095783.db2.gz GMMZLHKSJDMNNR-WBTNSWJXSA-N 2 0 354.520 -0.002 20 0 FBADRP COc1ccc(C[C@@H](C)[NH3+])cc1S(=O)(=O)N[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246189690 846095651 /nfs/dbraw/zinc/09/56/51/846095651.db2.gz DKZLUMHAAAKAMF-OCCSQVGLSA-N 2 0 368.503 -0.043 20 0 FBADRP COc1ccc(C[C@@H](C)[NH3+])cc1S(=O)(=O)N[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246189694 846095626 /nfs/dbraw/zinc/09/56/26/846095626.db2.gz DKZLUMHAAAKAMF-TZMCWYRMSA-N 2 0 368.503 -0.043 20 0 FBADRP COC(=O)[C@@H]1C[C@H]([NH2+]CCCOCCOCCOCCC[NH3+])CCN1 ZINC001246201715 846095514 /nfs/dbraw/zinc/09/55/14/846095514.db2.gz IZQHERLOWLTRQP-CVEARBPZSA-N 2 0 361.483 -0.342 20 0 FBADRP COC(=O)[C@@H]1C[C@@H]([NH2+]CCCOCCOCCOCCC[NH3+])CCN1 ZINC001246201727 846096165 /nfs/dbraw/zinc/09/61/65/846096165.db2.gz IZQHERLOWLTRQP-HOTGVXAUSA-N 2 0 361.483 -0.342 20 0 FBADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]CCCOCCOCCOCCC[NH3+])CN1 ZINC001246202357 846095916 /nfs/dbraw/zinc/09/59/16/846095916.db2.gz ODXTUOSKMIAKNZ-CVEARBPZSA-N 2 0 361.483 -0.342 20 0 FBADRP COC(=O)[C@@H]1CC[C@H]([NH2+]CCCOCCOCCOCCC[NH3+])CN1 ZINC001246202358 846095869 /nfs/dbraw/zinc/09/58/69/846095869.db2.gz ODXTUOSKMIAKNZ-HOTGVXAUSA-N 2 0 361.483 -0.342 20 0 FBADRP CCOC(=O)[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246203488 846096000 /nfs/dbraw/zinc/09/60/00/846096000.db2.gz WPWSJGXBMPMVDM-CRWXNKLISA-N 2 0 356.492 -0.619 20 0 FBADRP CCOC(=O)[C@@H]1C[NH2+]CC[C@H]1N[C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246203498 846095907 /nfs/dbraw/zinc/09/59/07/846095907.db2.gz WPWSJGXBMPMVDM-DGAVXFQQSA-N 2 0 356.492 -0.619 20 0 FBADRP CCOC(=O)[C@@H]1C[NH2+]CC[C@@H]1N[C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246203499 846096080 /nfs/dbraw/zinc/09/60/80/846096080.db2.gz WPWSJGXBMPMVDM-MQYQWHSLSA-N 2 0 356.492 -0.619 20 0 FBADRP CCOC(=O)[C@@H]1C[NH2+]CC[C@H]1N[C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246203500 846095794 /nfs/dbraw/zinc/09/57/94/846095794.db2.gz WPWSJGXBMPMVDM-SYQHCUMBSA-N 2 0 356.492 -0.619 20 0 FBADRP [NH3+]CCOCCOCCOCCOCC[NH2+]C1C[C@@H]2COC[C@H](C1)N2 ZINC001246212139 846095674 /nfs/dbraw/zinc/09/56/74/846095674.db2.gz CPVFIODPGGFVAR-ALOPSCKCSA-N 2 0 361.483 -0.880 20 0 FBADRP COC(=O)CCS(=O)(=O)CC[C@@H](C)[NH2+]C1CN(C2CC[NH2+]CC2)C1 ZINC001246213958 846096110 /nfs/dbraw/zinc/09/61/10/846096110.db2.gz GVNZXIPOQGXMAB-CYBMUJFWSA-N 2 0 361.508 -0.231 20 0 FBADRP COC(=O)CCS(=O)(=O)CC[C@H](C)[NH2+]C1CN(C2CC[NH2+]CC2)C1 ZINC001246213960 846095537 /nfs/dbraw/zinc/09/55/37/846095537.db2.gz GVNZXIPOQGXMAB-ZDUSSCGKSA-N 2 0 361.508 -0.231 20 0 FBADRP [NH3+]CCOCCOCCOCCOCC[NH2+][C@H]1CCOC2(C[NH2+]C2)C1 ZINC001246214395 846096073 /nfs/dbraw/zinc/09/60/73/846096073.db2.gz DMNIQIHAWCJUAP-INIZCTEOSA-N 3 0 361.483 -0.878 20 0 FBADRP [NH3+]CCOCCOCCOCCOCC[NH2+][C@@H]1CCOC2(C[NH2+]C2)C1 ZINC001246214400 846095884 /nfs/dbraw/zinc/09/58/84/846095884.db2.gz DMNIQIHAWCJUAP-MRXNPFEDSA-N 3 0 361.483 -0.878 20 0 FBADRP [NH3+]CCOCCOCCOCCOCC[NH2+][C@@H]1CSC2(C[NH2+]C2)C1 ZINC001246216840 846095528 /nfs/dbraw/zinc/09/55/28/846095528.db2.gz OPYCYNRBWIHFNX-HNNXBMFYSA-N 3 0 363.524 -0.551 20 0 FBADRP [NH3+]CCOCCOCCOCCOCC[NH2+][C@H]1CSC2(C[NH2+]C2)C1 ZINC001246216914 846096158 /nfs/dbraw/zinc/09/61/58/846096158.db2.gz OPYCYNRBWIHFNX-OAHLLOKOSA-N 3 0 363.524 -0.551 20 0 FBADRP O=C([C@@H]1C[C@@H]([NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)CN1)N1CCSC1 ZINC001246250006 846096030 /nfs/dbraw/zinc/09/60/30/846096030.db2.gz SLRNLEYMJBCRRV-ILXRZTDVSA-N 2 0 354.520 -0.002 20 0 FBADRP O=C([C@@H]1C[C@@H]([NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)CN1)N1CCSC1 ZINC001246250008 846096982 /nfs/dbraw/zinc/09/69/82/846096982.db2.gz SLRNLEYMJBCRRV-KFWWJZLASA-N 2 0 354.520 -0.002 20 0 FBADRP O=C([C@@H]1C[C@H]([NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)CN1)N1CCSC1 ZINC001246250009 846097107 /nfs/dbraw/zinc/09/71/07/846097107.db2.gz SLRNLEYMJBCRRV-KKUMJFAQSA-N 2 0 354.520 -0.002 20 0 FBADRP O=C([C@@H]1C[C@H]([NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)CN1)N1CCSC1 ZINC001246250011 846097139 /nfs/dbraw/zinc/09/71/39/846097139.db2.gz SLRNLEYMJBCRRV-ZNMIVQPWSA-N 2 0 354.520 -0.002 20 0 FBADRP O=C([C@@H]1C[C@@H](NCc2ncn3c2C[NH2+]CCC3)C[NH2+]1)N1CCSC1 ZINC001246251285 846096780 /nfs/dbraw/zinc/09/67/80/846096780.db2.gz YQUYCWNFDAPSLU-OLZOCXBDSA-N 2 0 350.492 -0.271 20 0 FBADRP O=C([C@@H]1C[C@H](NCc2ncn3c2C[NH2+]CCC3)C[NH2+]1)N1CCSC1 ZINC001246251316 846096826 /nfs/dbraw/zinc/09/68/26/846096826.db2.gz YQUYCWNFDAPSLU-STQMWFEESA-N 2 0 350.492 -0.271 20 0 FBADRP C[NH2+]CC[C@H](C)[NH2+]CCOCCOCCOCCOCCOCC[NH3+] ZINC001246271074 846097119 /nfs/dbraw/zinc/09/71/19/846097119.db2.gz DONIPHBAOKEXPJ-KRWDZBQOSA-N 3 0 365.515 -0.384 20 0 FBADRP C[NH2+]CC[C@@H](C)[NH2+]CCOCCOCCOCCOCCOCC[NH3+] ZINC001246271077 846096709 /nfs/dbraw/zinc/09/67/09/846096709.db2.gz DONIPHBAOKEXPJ-QGZVFWFLSA-N 3 0 365.515 -0.384 20 0 FBADRP C[C@H]1C[C@@H](NCCOCCOCCOCCOCCOCC[NH3+])C[NH2+]1 ZINC001246275500 846097073 /nfs/dbraw/zinc/09/70/73/846097073.db2.gz VUVOHVMCVSPTKT-DLBZAZTESA-N 2 0 363.499 -0.632 20 0 FBADRP C[C@@H]1C[C@@H](NCCOCCOCCOCCOCCOCC[NH3+])C[NH2+]1 ZINC001246275501 846096946 /nfs/dbraw/zinc/09/69/46/846096946.db2.gz VUVOHVMCVSPTKT-IAGOWNOFSA-N 2 0 363.499 -0.632 20 0 FBADRP C[C@H]1C[C@H](NCCOCCOCCOCCOCCOCC[NH3+])C[NH2+]1 ZINC001246275502 846096763 /nfs/dbraw/zinc/09/67/63/846096763.db2.gz VUVOHVMCVSPTKT-IRXDYDNUSA-N 2 0 363.499 -0.632 20 0 FBADRP C[C@@H]1C[C@H](NCCOCCOCCOCCOCCOCC[NH3+])C[NH2+]1 ZINC001246275503 846096930 /nfs/dbraw/zinc/09/69/30/846096930.db2.gz VUVOHVMCVSPTKT-SJORKVTESA-N 2 0 363.499 -0.632 20 0 FBADRP [NH3+]CCOCCOCCOCCOCCOCC[NH2+]C1CC[NH2+]CC1 ZINC001246275513 846097047 /nfs/dbraw/zinc/09/70/47/846097047.db2.gz WANIYBGSESNLBS-UHFFFAOYSA-N 3 0 363.499 -0.630 20 0 FBADRP [NH3+]CCOCCOCCOCCOCCOCCN[C@H]1CCC[NH2+]C1 ZINC001246276096 846096804 /nfs/dbraw/zinc/09/68/04/846096804.db2.gz ZSIKYVNSGADULX-KRWDZBQOSA-N 2 0 363.499 -0.630 20 0 FBADRP [NH3+]CCOCCOCCOCCOCCOCCN[C@@H]1CCC[NH2+]C1 ZINC001246276098 846096850 /nfs/dbraw/zinc/09/68/50/846096850.db2.gz ZSIKYVNSGADULX-QGZVFWFLSA-N 2 0 363.499 -0.630 20 0 FBADRP OCCOCCOCCOCCOCCOCC[NH2+]C1CC[NH2+]CC1 ZINC001246277654 846097057 /nfs/dbraw/zinc/09/70/57/846097057.db2.gz RDVAKEVMDJUZBJ-UHFFFAOYSA-N 2 0 364.483 -0.597 20 0 FBADRP CCOC(=O)C1=C(N[C@@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)CC[NH2+]C1 ZINC001246283287 846097021 /nfs/dbraw/zinc/09/70/21/846097021.db2.gz HFIJCSWNNCTYSN-FZMZJTMJSA-N 2 0 354.476 -0.350 20 0 FBADRP CCOC(=O)C1=C(N[C@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)CC[NH2+]C1 ZINC001246283289 846097145 /nfs/dbraw/zinc/09/71/45/846097145.db2.gz HFIJCSWNNCTYSN-RISCZKNCSA-N 2 0 354.476 -0.350 20 0 FBADRP CC(C)(C)OC(=O)[C@@H]1C[C@@H]([NH2+]CCOCCOCCOCC[NH3+])CN1 ZINC001246292837 846097126 /nfs/dbraw/zinc/09/71/26/846097126.db2.gz YBGAZLHFCAVSAO-CABCVRRESA-N 2 0 361.483 -0.343 20 0 FBADRP CC(C)(C)OC(=O)[C@@H]1C[C@H]([NH2+]CCOCCOCCOCC[NH3+])CN1 ZINC001246292838 846096648 /nfs/dbraw/zinc/09/66/48/846096648.db2.gz YBGAZLHFCAVSAO-GJZGRUSLSA-N 2 0 361.483 -0.343 20 0 FBADRP O=S(=O)(c1ccccn1)N1CCC([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246312033 846096692 /nfs/dbraw/zinc/09/66/92/846096692.db2.gz CCPUFTUGQRAHMN-HNNXBMFYSA-N 2 0 365.503 -0.082 20 0 FBADRP O=S(=O)(c1ccccn1)N1CCC([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246312038 846096798 /nfs/dbraw/zinc/09/67/98/846096798.db2.gz CCPUFTUGQRAHMN-OAHLLOKOSA-N 2 0 365.503 -0.082 20 0 FBADRP CCOC(=O)C1(C[NH2+][C@@H]2CN[C@H](C(=O)N3CCSC3)C2)CC[NH2+]CC1 ZINC001246314494 846096871 /nfs/dbraw/zinc/09/68/71/846096871.db2.gz BTNOYLRUAZRCPL-KBPBESRZSA-N 2 0 370.519 -0.228 20 0 FBADRP CCOC(=O)C1(C[NH2+][C@H]2CN[C@H](C(=O)N3CCSC3)C2)CC[NH2+]CC1 ZINC001246314497 846096741 /nfs/dbraw/zinc/09/67/41/846096741.db2.gz BTNOYLRUAZRCPL-KGLIPLIRSA-N 2 0 370.519 -0.228 20 0 FBADRP COC(=O)[C@H](N[C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1)C1CC[NH2+]CC1 ZINC001246325550 846096483 /nfs/dbraw/zinc/09/64/83/846096483.db2.gz BZJMOQCHEJNMQO-HZSPNIEDSA-N 2 0 356.492 -0.619 20 0 FBADRP COC(=O)[C@@H](N[C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1)C1CC[NH2+]CC1 ZINC001246325551 846096963 /nfs/dbraw/zinc/09/69/63/846096963.db2.gz BZJMOQCHEJNMQO-IHRRRGAJSA-N 2 0 356.492 -0.619 20 0 FBADRP COC(=O)[C@H](N[C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1)C1CC[NH2+]CC1 ZINC001246325552 846097152 /nfs/dbraw/zinc/09/71/52/846097152.db2.gz BZJMOQCHEJNMQO-MELADBBJSA-N 2 0 356.492 -0.619 20 0 FBADRP COC(=O)[C@@H](N[C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1)C1CC[NH2+]CC1 ZINC001246325553 846097930 /nfs/dbraw/zinc/09/79/30/846097930.db2.gz BZJMOQCHEJNMQO-RDBSUJKOSA-N 2 0 356.492 -0.619 20 0 FBADRP CCOC(=O)CC1(N[C@@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)CC[NH2+]CC1 ZINC001246327347 846097702 /nfs/dbraw/zinc/09/77/02/846097702.db2.gz SNKWRYCRQAZFIM-KBPBESRZSA-N 2 0 370.519 -0.085 20 0 FBADRP CCOC(=O)CC1(N[C@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)CC[NH2+]CC1 ZINC001246327348 846098165 /nfs/dbraw/zinc/09/81/65/846098165.db2.gz SNKWRYCRQAZFIM-KGLIPLIRSA-N 2 0 370.519 -0.085 20 0 FBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])[C@@H]2CCC[NH2+]C2)c2nonc21 ZINC001246341471 846098120 /nfs/dbraw/zinc/09/81/20/846098120.db2.gz LQLQRFLURHKAOU-LLVKDONJSA-N 2 0 368.463 -0.010 20 0 FBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])[C@H]2CCC[NH2+]C2)c2nonc21 ZINC001246341478 846097919 /nfs/dbraw/zinc/09/79/19/846097919.db2.gz LQLQRFLURHKAOU-NSHDSACASA-N 2 0 368.463 -0.010 20 0 FBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C2CC[NH2+]CC2)c2nonc21 ZINC001246342555 846097486 /nfs/dbraw/zinc/09/74/86/846097486.db2.gz QEHQYNZGWHWUSK-UHFFFAOYSA-N 2 0 368.463 -0.010 20 0 FBADRP [NH3+]CCC(=O)CCC(=O)CCC(=O)CC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246357797 846098231 /nfs/dbraw/zinc/09/82/31/846098231.db2.gz ANTHPMIMDIJSNF-AWEZNQCLSA-N 3 0 352.479 -0.323 20 0 FBADRP [NH3+]CCC(=O)CCC(=O)CCC(=O)CC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246357803 846097841 /nfs/dbraw/zinc/09/78/41/846097841.db2.gz ANTHPMIMDIJSNF-CQSZACIVSA-N 3 0 352.479 -0.323 20 0 FBADRP COC(=O)[C@@H]1C[C@H]([NH2+]CCC(=O)CCC(=O)CCC(=O)CC[NH3+])CN1 ZINC001246362536 846097742 /nfs/dbraw/zinc/09/77/42/846097742.db2.gz NGHRTJABTJYXBB-LRDDRELGSA-N 2 0 355.435 -0.514 20 0 FBADRP COC(=O)[C@@H]1C[C@@H]([NH2+]CCC(=O)CCC(=O)CCC(=O)CC[NH3+])CN1 ZINC001246362537 846098039 /nfs/dbraw/zinc/09/80/39/846098039.db2.gz NGHRTJABTJYXBB-WBMJQRKESA-N 2 0 355.435 -0.514 20 0 FBADRP COC(=O)CC1(N[C@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)CC[NH2+]CC1 ZINC001246367733 846098144 /nfs/dbraw/zinc/09/81/44/846098144.db2.gz UPOYZFPWCOJCIE-OLZOCXBDSA-N 2 0 356.492 -0.475 20 0 FBADRP COC(=O)CC1(N[C@@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)CC[NH2+]CC1 ZINC001246367743 846098064 /nfs/dbraw/zinc/09/80/64/846098064.db2.gz UPOYZFPWCOJCIE-STQMWFEESA-N 2 0 356.492 -0.475 20 0 FBADRP O=C([C@@H]1C[C@H](N[C@H]2CCN(C3CC[NH2+]CC3)C2)C[NH2+]1)N1CCSC1 ZINC001246369569 846098156 /nfs/dbraw/zinc/09/81/56/846098156.db2.gz GEALVWDEVLDGAX-DZKIICNBSA-N 2 0 353.536 -0.334 20 0 FBADRP O=C([C@@H]1C[C@@H](N[C@@H]2CCN(C3CC[NH2+]CC3)C2)C[NH2+]1)N1CCSC1 ZINC001246369579 846098208 /nfs/dbraw/zinc/09/82/08/846098208.db2.gz GEALVWDEVLDGAX-FMKPAKJESA-N 2 0 353.536 -0.334 20 0 FBADRP O=C([C@@H]1C[C@@H](N[C@H]2CCN(C3CC[NH2+]CC3)C2)C[NH2+]1)N1CCSC1 ZINC001246369582 846097575 /nfs/dbraw/zinc/09/75/75/846097575.db2.gz GEALVWDEVLDGAX-LZWOXQAQSA-N 2 0 353.536 -0.334 20 0 FBADRP O=C([C@@H]1C[C@H](N[C@@H]2CCN(C3CC[NH2+]CC3)C2)C[NH2+]1)N1CCSC1 ZINC001246369587 846097867 /nfs/dbraw/zinc/09/78/67/846097867.db2.gz GEALVWDEVLDGAX-YCPHGPKFSA-N 2 0 353.536 -0.334 20 0 FBADRP O=C([C@@H]1C[C@H]([NH2+]C2CCN([C@H]3CC[NH2+]C3)CC2)CN1)N1CCSC1 ZINC001246375469 846097674 /nfs/dbraw/zinc/09/76/74/846097674.db2.gz IOYVOVMXVBZWOS-JYJNAYRXSA-N 3 0 353.536 -0.334 20 0 FBADRP O=C([C@@H]1C[C@@H]([NH2+]C2CCN([C@@H]3CC[NH2+]C3)CC2)CN1)N1CCSC1 ZINC001246375470 846098085 /nfs/dbraw/zinc/09/80/85/846098085.db2.gz IOYVOVMXVBZWOS-OAGGEKHMSA-N 3 0 353.536 -0.334 20 0 FBADRP O=C([C@@H]1C[C@@H]([NH2+]C2CCN([C@H]3CC[NH2+]C3)CC2)CN1)N1CCSC1 ZINC001246375471 846098131 /nfs/dbraw/zinc/09/81/31/846098131.db2.gz IOYVOVMXVBZWOS-PMPSAXMXSA-N 3 0 353.536 -0.334 20 0 FBADRP O=C([C@@H]1C[C@H]([NH2+]C2CCN([C@@H]3CC[NH2+]C3)CC2)CN1)N1CCSC1 ZINC001246375472 846098187 /nfs/dbraw/zinc/09/81/87/846098187.db2.gz IOYVOVMXVBZWOS-XHSDSOJGSA-N 3 0 353.536 -0.334 20 0 FBADRP CC(C)(C)OC(=O)[C@@H](N)CCN[C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246391645 846097955 /nfs/dbraw/zinc/09/79/55/846097955.db2.gz SMVXXTLGRSFOKY-AGIUHOORSA-N 2 0 358.508 -0.102 20 0 FBADRP CC(C)(C)OC(=O)[C@@H](N)CCN[C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246391646 846097937 /nfs/dbraw/zinc/09/79/37/846097937.db2.gz SMVXXTLGRSFOKY-AVGNSLFASA-N 2 0 358.508 -0.102 20 0 FBADRP COC(=O)CCS(=O)(=O)CC[C@@H](C)[NH2+]CCCC[C@H]([NH3+])C(N)=O ZINC001246418050 846098054 /nfs/dbraw/zinc/09/80/54/846098054.db2.gz QERCDANVBJGIEX-NEPJUHHUSA-N 2 0 351.469 -0.685 20 0 FBADRP COC(=O)CCS(=O)(=O)CC[C@H](C)[NH2+]CCCC[C@H]([NH3+])C(N)=O ZINC001246418059 846097517 /nfs/dbraw/zinc/09/75/17/846097517.db2.gz QERCDANVBJGIEX-RYUDHWBXSA-N 2 0 351.469 -0.685 20 0 FBADRP O=S1(=O)CCN(c2cc(C[NH2+][C@H]3CCNC4(C[NH2+]C4)C3)ccn2)CC1 ZINC001246432927 846098996 /nfs/dbraw/zinc/09/89/96/846098996.db2.gz FURJFWZFBPQJTA-HNNXBMFYSA-N 2 0 365.503 -0.500 20 0 FBADRP O=S1(=O)CCN(c2cc(C[NH2+][C@@H]3CCNC4(C[NH2+]C4)C3)ccn2)CC1 ZINC001246432928 846099066 /nfs/dbraw/zinc/09/90/66/846099066.db2.gz FURJFWZFBPQJTA-OAHLLOKOSA-N 2 0 365.503 -0.500 20 0 FBADRP O=S1(=O)CCN(c2ccnc(C[NH2+][C@H]3CCNC4(C[NH2+]C4)C3)c2)CC1 ZINC001246437034 846098980 /nfs/dbraw/zinc/09/89/80/846098980.db2.gz MKSDXKGEKHJUAJ-AWEZNQCLSA-N 2 0 365.503 -0.500 20 0 FBADRP O=S1(=O)CCN(c2ccnc(C[NH2+][C@@H]3CCNC4(C[NH2+]C4)C3)c2)CC1 ZINC001246437035 846098905 /nfs/dbraw/zinc/09/89/05/846098905.db2.gz MKSDXKGEKHJUAJ-CQSZACIVSA-N 2 0 365.503 -0.500 20 0 FBADRP CCOC(=O)C1(N[C@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)CC[NH2+]CC1 ZINC001246465274 846099083 /nfs/dbraw/zinc/09/90/83/846099083.db2.gz LTJICPOWYOMKOG-OLZOCXBDSA-N 2 0 356.492 -0.475 20 0 FBADRP CCOC(=O)C1(N[C@@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)CC[NH2+]CC1 ZINC001246465275 846099072 /nfs/dbraw/zinc/09/90/72/846099072.db2.gz LTJICPOWYOMKOG-STQMWFEESA-N 2 0 356.492 -0.475 20 0 FBADRP CNC(=O)[C@H](CCCC[NH3+])[NH2+][C@H]1CC[C@@H](C(=O)OC)[C@H](C(=O)OC)C1 ZINC001246510091 846099980 /nfs/dbraw/zinc/09/99/80/846099980.db2.gz CMMLITICAYPWOH-DGAVXFQQSA-N 2 0 357.451 -0.050 20 0 FBADRP CNC(=O)[C@H](CCCC[NH3+])[NH2+][C@@H]1CC[C@@H](C(=O)OC)[C@H](C(=O)OC)C1 ZINC001246510107 846100342 /nfs/dbraw/zinc/10/03/42/846100342.db2.gz CMMLITICAYPWOH-SYQHCUMBSA-N 2 0 357.451 -0.050 20 0 FBADRP CNC(=O)[C@H](CCCC[NH3+])[NH2+][C@H](C)CCS(=O)(=O)CCC(=O)OC ZINC001246512478 846100274 /nfs/dbraw/zinc/10/02/74/846100274.db2.gz NWMQZPUDLNMPKR-OLZOCXBDSA-N 2 0 365.496 -0.424 20 0 FBADRP CNC(=O)[C@H](CCCC[NH3+])[NH2+][C@@H](C)CCS(=O)(=O)CCC(=O)OC ZINC001246512480 846100108 /nfs/dbraw/zinc/10/01/08/846100108.db2.gz NWMQZPUDLNMPKR-STQMWFEESA-N 2 0 365.496 -0.424 20 0 FBADRP COC(=O)[C@H](CCCC[NH2+][C@@H]1CC[C@H](C)NC1)NC(=O)CNC(C)=O ZINC001246517247 846100511 /nfs/dbraw/zinc/10/05/11/846100511.db2.gz AVQQXFQEUUPEBO-CFVMTHIKSA-N 2 0 356.467 -0.319 20 0 FBADRP COC(=O)[C@H](CCCC[NH2+][C@H]1CC[C@H](C)NC1)NC(=O)CNC(C)=O ZINC001246517255 846100256 /nfs/dbraw/zinc/10/02/56/846100256.db2.gz AVQQXFQEUUPEBO-QEJZJMRPSA-N 2 0 356.467 -0.319 20 0 FBADRP COC(=O)[C@H](CCCC[NH2+][C@H]1CC[C@@H](C)NC1)NC(=O)CNC(C)=O ZINC001246517257 846100442 /nfs/dbraw/zinc/10/04/42/846100442.db2.gz AVQQXFQEUUPEBO-SNPRPXQTSA-N 2 0 356.467 -0.319 20 0 FBADRP COC(=O)[C@H](CCCC[NH2+][C@@H]1CC[C@@H](C)NC1)NC(=O)CNC(C)=O ZINC001246517258 846099829 /nfs/dbraw/zinc/09/98/29/846099829.db2.gz AVQQXFQEUUPEBO-YUELXQCFSA-N 2 0 356.467 -0.319 20 0 FBADRP COC(=O)CCS(=O)(=O)CC[C@H](C)[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246546176 846099691 /nfs/dbraw/zinc/09/96/91/846099691.db2.gz YOQAQVRATHGNLU-DZGCQCFKSA-N 2 0 350.481 -0.081 20 0 FBADRP COC(=O)CCS(=O)(=O)CC[C@@H](C)[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246546207 846099809 /nfs/dbraw/zinc/09/98/09/846099809.db2.gz YOQAQVRATHGNLU-HIFRSBDPSA-N 2 0 350.481 -0.081 20 0 FBADRP COC(=O)CCS(=O)(=O)CC[C@@H](C)[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246546208 846100407 /nfs/dbraw/zinc/10/04/07/846100407.db2.gz YOQAQVRATHGNLU-UKRRQHHQSA-N 2 0 350.481 -0.081 20 0 FBADRP COC(=O)CCS(=O)(=O)CC[C@H](C)[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246546209 846099723 /nfs/dbraw/zinc/09/97/23/846099723.db2.gz YOQAQVRATHGNLU-ZFWWWQNUSA-N 2 0 350.481 -0.081 20 0 FBADRP COC(=O)CCS(=O)(=O)CC[C@H](C)N1CCCC[C@@](O)(C[NH3+])C1 ZINC001246557987 846100460 /nfs/dbraw/zinc/10/04/60/846100460.db2.gz JYHLNVLZMBWTBV-DZGCQCFKSA-N 2 0 350.481 -0.081 20 0 FBADRP COC(=O)CCS(=O)(=O)CC[C@@H](C)N1CCCC[C@](O)(C[NH3+])C1 ZINC001246557989 846099635 /nfs/dbraw/zinc/09/96/35/846099635.db2.gz JYHLNVLZMBWTBV-HIFRSBDPSA-N 2 0 350.481 -0.081 20 0 FBADRP COC(=O)CCS(=O)(=O)CC[C@@H](C)N1CCCC[C@@](O)(C[NH3+])C1 ZINC001246557990 846099771 /nfs/dbraw/zinc/09/97/71/846099771.db2.gz JYHLNVLZMBWTBV-UKRRQHHQSA-N 2 0 350.481 -0.081 20 0 FBADRP COC(=O)CCS(=O)(=O)CC[C@H](C)N1CCCC[C@](O)(C[NH3+])C1 ZINC001246557992 846100350 /nfs/dbraw/zinc/10/03/50/846100350.db2.gz JYHLNVLZMBWTBV-ZFWWWQNUSA-N 2 0 350.481 -0.081 20 0 FBADRP O=S(=O)(N[C@H]1CCNC2(C[NH2+]C2)C1)c1ccc(N2CC[NH2+]CC2)cc1 ZINC001246590159 846100087 /nfs/dbraw/zinc/10/00/87/846100087.db2.gz IVJMFUAGQPDNAQ-AWEZNQCLSA-N 2 0 365.503 -0.532 20 0 FBADRP O=S(=O)(N[C@@H]1CCNC2(C[NH2+]C2)C1)c1ccc(N2CC[NH2+]CC2)cc1 ZINC001246590161 846100316 /nfs/dbraw/zinc/10/03/16/846100316.db2.gz IVJMFUAGQPDNAQ-CQSZACIVSA-N 2 0 365.503 -0.532 20 0 FBADRP COC(=O)CCS(=O)(=O)CC[C@H](C)[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246599669 846100151 /nfs/dbraw/zinc/10/01/51/846100151.db2.gz DFQWOZRKCIBXDX-AWEZNQCLSA-N 2 0 361.508 -0.230 20 0 FBADRP COC(=O)CCS(=O)(=O)CC[C@@H](C)[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246599675 846100477 /nfs/dbraw/zinc/10/04/77/846100477.db2.gz DFQWOZRKCIBXDX-CQSZACIVSA-N 2 0 361.508 -0.230 20 0 FBADRP O=C([C@@H]1C[C@@H](N2CCOCC3(CC[NH2+]CC3)C2)C[NH2+]1)N1CCSC1 ZINC001246614229 846101357 /nfs/dbraw/zinc/10/13/57/846101357.db2.gz NENRXFINXDYQJT-CABCVRRESA-N 2 0 354.520 -0.048 20 0 FBADRP O=C([C@@H]1C[C@H](N2CCOCC3(CC[NH2+]CC3)C2)C[NH2+]1)N1CCSC1 ZINC001246614234 846101012 /nfs/dbraw/zinc/10/10/12/846101012.db2.gz NENRXFINXDYQJT-GJZGRUSLSA-N 2 0 354.520 -0.048 20 0 FBADRP COC(=O)C1C[C@@H]2CC(N3CC(=O)NC4(CC[NH2+]CC4)C3)C[C@H](C1)[NH2+]2 ZINC001246624079 846101540 /nfs/dbraw/zinc/10/15/40/846101540.db2.gz FELMWXVLAZABMF-HFDVOGEKSA-N 3 0 350.463 -0.387 20 0 FBADRP CC(C)(C)OC(=O)[C@@H]1C[C@@H](N2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)CN1 ZINC001246626636 846101041 /nfs/dbraw/zinc/10/10/41/846101041.db2.gz KGBKFILKVQREPS-FHSNZYRGSA-N 2 0 350.463 -0.530 20 0 FBADRP CC(C)(C)OC(=O)[C@@H]1C[C@H](N2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)CN1 ZINC001246626639 846101436 /nfs/dbraw/zinc/10/14/36/846101436.db2.gz KGBKFILKVQREPS-LXIYXOSZSA-N 2 0 350.463 -0.530 20 0 FBADRP CC(C)(C)OC(=O)[C@@H]1C[C@@H](N2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)CN1 ZINC001246626643 846101027 /nfs/dbraw/zinc/10/10/27/846101027.db2.gz KGBKFILKVQREPS-VBHSOAQHSA-N 2 0 350.463 -0.530 20 0 FBADRP CC(C)(C)OC(=O)[C@@H]1C[C@H](N2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)CN1 ZINC001246626646 846101308 /nfs/dbraw/zinc/10/13/08/846101308.db2.gz KGBKFILKVQREPS-ZJNRKIDTSA-N 2 0 350.463 -0.530 20 0 FBADRP COC(=O)C1C[C@@H]2CC(N3CCO[C@@]4(C3)C[NH2+]CCOC4)C[C@H](C1)[NH2+]2 ZINC001246632504 846101394 /nfs/dbraw/zinc/10/13/94/846101394.db2.gz VYYCFLKTUPXZKJ-FOGFMGOISA-N 2 0 353.463 -0.251 20 0 FBADRP COC(=O)C1C[C@@H]2CC(N3CCO[C@]4(C3)C[NH2+]CCOC4)C[C@H](C1)[NH2+]2 ZINC001246632505 846101274 /nfs/dbraw/zinc/10/12/74/846101274.db2.gz VYYCFLKTUPXZKJ-ZAFVQBNWSA-N 2 0 353.463 -0.251 20 0 FBADRP O=C([C@@H]1C[C@@H](N2CC[NH2+]C[C@]3(CCCCN3)C2)C[NH2+]1)N1CCSC1 ZINC001246635298 846101387 /nfs/dbraw/zinc/10/13/87/846101387.db2.gz SVBVTZYKEYGIOY-HLLBOEOZSA-N 2 0 353.536 -0.333 20 0 FBADRP O=C([C@@H]1C[C@@H](N2CC[NH2+]C[C@@]3(CCCCN3)C2)C[NH2+]1)N1CCSC1 ZINC001246635300 846101216 /nfs/dbraw/zinc/10/12/16/846101216.db2.gz SVBVTZYKEYGIOY-VYDXJSESSA-N 2 0 353.536 -0.333 20 0 FBADRP O=C([C@@H]1C[C@H](N2CC[NH2+]C[C@]3(CCCCN3)C2)C[NH2+]1)N1CCSC1 ZINC001246635302 846101322 /nfs/dbraw/zinc/10/13/22/846101322.db2.gz SVBVTZYKEYGIOY-YQQAZPJKSA-N 2 0 353.536 -0.333 20 0 FBADRP O=C([C@@H]1C[C@H](N2CC[NH2+]C[C@@]3(CCCCN3)C2)C[NH2+]1)N1CCSC1 ZINC001246635304 846101139 /nfs/dbraw/zinc/10/11/39/846101139.db2.gz SVBVTZYKEYGIOY-ZOBUZTSGSA-N 2 0 353.536 -0.333 20 0 FBADRP O=C([C@@H]1C[C@@H](N2CCOC[C@@]3(CCC[NH2+]C3)C2)C[NH2+]1)N1CCSC1 ZINC001246637244 846101414 /nfs/dbraw/zinc/10/14/14/846101414.db2.gz MSMNZLGCFMEPOH-HLLBOEOZSA-N 2 0 354.520 -0.048 20 0 FBADRP O=C([C@@H]1C[C@@H](N2CCOC[C@]3(CCC[NH2+]C3)C2)C[NH2+]1)N1CCSC1 ZINC001246637245 846101399 /nfs/dbraw/zinc/10/13/99/846101399.db2.gz MSMNZLGCFMEPOH-VYDXJSESSA-N 2 0 354.520 -0.048 20 0 FBADRP O=C([C@@H]1C[C@H](N2CCOC[C@@]3(CCC[NH2+]C3)C2)C[NH2+]1)N1CCSC1 ZINC001246637246 846101431 /nfs/dbraw/zinc/10/14/31/846101431.db2.gz MSMNZLGCFMEPOH-YQQAZPJKSA-N 2 0 354.520 -0.048 20 0 FBADRP O=C([C@@H]1C[C@H](N2CCOC[C@]3(CCC[NH2+]C3)C2)C[NH2+]1)N1CCSC1 ZINC001246637247 846101588 /nfs/dbraw/zinc/10/15/88/846101588.db2.gz MSMNZLGCFMEPOH-ZOBUZTSGSA-N 2 0 354.520 -0.048 20 0 FBADRP O=C([C@@H]1C[C@H](N2CC[NH2+]C[C@]3(CCCC(=O)N3)C2)C[NH2+]1)N1CCSC1 ZINC001246651581 846100937 /nfs/dbraw/zinc/10/09/37/846100937.db2.gz MYRGETNRJQLGSN-GRDNDAEWSA-N 2 0 367.519 -0.806 20 0 FBADRP O=C([C@@H]1C[C@@H](N2CC[NH2+]C[C@]3(CCCC(=O)N3)C2)C[NH2+]1)N1CCSC1 ZINC001246651582 846101021 /nfs/dbraw/zinc/10/10/21/846101021.db2.gz MYRGETNRJQLGSN-JKIFEVAISA-N 2 0 367.519 -0.806 20 0 FBADRP O=C([C@@H]1C[C@@H](N2CC[NH2+]C[C@@]3(CCCC(=O)N3)C2)C[NH2+]1)N1CCSC1 ZINC001246651583 846101420 /nfs/dbraw/zinc/10/14/20/846101420.db2.gz MYRGETNRJQLGSN-KEYYUXOJSA-N 2 0 367.519 -0.806 20 0 FBADRP O=C([C@@H]1C[C@H](N2CC[NH2+]C[C@@]3(CCCC(=O)N3)C2)C[NH2+]1)N1CCSC1 ZINC001246651959 846101285 /nfs/dbraw/zinc/10/12/85/846101285.db2.gz MYRGETNRJQLGSN-ZQIUZPCESA-N 2 0 367.519 -0.806 20 0 FBADRP O=C([C@@H]1C[C@@H](N2CCCO[C@]3(C[NH2+]CCOC3)C2)C[NH2+]1)N1CCSC1 ZINC001246662990 846101385 /nfs/dbraw/zinc/10/13/85/846101385.db2.gz CAYGYMBGSCJJHO-HLLBOEOZSA-N 2 0 370.519 -0.669 20 0 FBADRP O=C([C@@H]1C[C@@H](N2CCCO[C@@]3(C[NH2+]CCOC3)C2)C[NH2+]1)N1CCSC1 ZINC001246662994 846101184 /nfs/dbraw/zinc/10/11/84/846101184.db2.gz CAYGYMBGSCJJHO-VYDXJSESSA-N 2 0 370.519 -0.669 20 0 FBADRP O=C([C@@H]1C[C@H](N2CCCO[C@]3(C[NH2+]CCOC3)C2)C[NH2+]1)N1CCSC1 ZINC001246663000 846101228 /nfs/dbraw/zinc/10/12/28/846101228.db2.gz CAYGYMBGSCJJHO-YQQAZPJKSA-N 2 0 370.519 -0.669 20 0 FBADRP O=C([C@@H]1C[C@H](N2CCCO[C@@]3(C[NH2+]CCOC3)C2)C[NH2+]1)N1CCSC1 ZINC001246663003 846101447 /nfs/dbraw/zinc/10/14/47/846101447.db2.gz CAYGYMBGSCJJHO-ZOBUZTSGSA-N 2 0 370.519 -0.669 20 0 FBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1[C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246665159 846101168 /nfs/dbraw/zinc/10/11/68/846101168.db2.gz ARXHJBQIGRYBKV-AIEDFZFUSA-N 2 0 368.503 -0.525 20 0 FBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1[C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246665188 846101518 /nfs/dbraw/zinc/10/15/18/846101518.db2.gz ARXHJBQIGRYBKV-YYFQZIEXSA-N 2 0 368.503 -0.525 20 0 FBADRP COC(=O)[C@@H]1C[C@H](N2CCN(C3=NOC4(C3)CC[NH2+]CC4)CC2)CN1 ZINC001246667639 846101376 /nfs/dbraw/zinc/10/13/76/846101376.db2.gz LUIIQSOVDMXIDT-KBPBESRZSA-N 2 0 351.451 -0.637 20 0 FBADRP COC(=O)[C@@H]1C[C@@H](N2CCN(C3=NOC4(C3)CC[NH2+]CC4)CC2)CN1 ZINC001246667649 846101484 /nfs/dbraw/zinc/10/14/84/846101484.db2.gz LUIIQSOVDMXIDT-KGLIPLIRSA-N 2 0 351.451 -0.637 20 0 FBADRP COC(=O)[C@H]1C[C@H](N2CCN(C3=NOC4(C3)CC[NH2+]CC4)CC2)CN1 ZINC001246667652 846101348 /nfs/dbraw/zinc/10/13/48/846101348.db2.gz LUIIQSOVDMXIDT-UONOGXRCSA-N 2 0 351.451 -0.637 20 0 FBADRP COC(=O)[C@H]1C[C@@H](N2CCN(C3=NOC4(C3)CC[NH2+]CC4)CC2)CN1 ZINC001246667654 846101151 /nfs/dbraw/zinc/10/11/51/846101151.db2.gz LUIIQSOVDMXIDT-ZIAGYGMSSA-N 2 0 351.451 -0.637 20 0 FBADRP CCOC(=O)[C@@H]1CC[C@@H]([NH+]2CCC(C(=O)N3CC[NH2+]CC3)CC2)CN1 ZINC001246670533 846101068 /nfs/dbraw/zinc/10/10/68/846101068.db2.gz DRCNWASMMLKIKF-CVEARBPZSA-N 2 0 352.479 -0.186 20 0 FBADRP CCOC(=O)[C@@H]1CC[C@H]([NH+]2CCC(C(=O)N3CC[NH2+]CC3)CC2)CN1 ZINC001246670535 846101128 /nfs/dbraw/zinc/10/11/28/846101128.db2.gz DRCNWASMMLKIKF-HOTGVXAUSA-N 2 0 352.479 -0.186 20 0 FBADRP COC(=O)[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3[C@H]4C[NH2+]C[C@H]4C[C@]3(C(=O)OC)C2)CCN1 ZINC001246671886 846101453 /nfs/dbraw/zinc/10/14/53/846101453.db2.gz JOUNOEMIGHFIEV-BOIDDXRWSA-N 2 0 351.447 -0.390 20 0 FBADRP COC(=O)[C@@H]1C[C@H]([N@@H+]2C[C@@H]3[C@H]4C[NH2+]C[C@H]4C[C@]3(C(=O)OC)C2)CCN1 ZINC001246671887 846101246 /nfs/dbraw/zinc/10/12/46/846101246.db2.gz JOUNOEMIGHFIEV-YQBONMRBSA-N 2 0 351.447 -0.390 20 0 FBADRP COC(=O)[C@@H]1CC[C@H]([N@@H+]2C[C@@H]3[C@H]4C[NH2+]C[C@H]4C[C@]3(C(=O)OC)C2)CN1 ZINC001246671888 846101113 /nfs/dbraw/zinc/10/11/13/846101113.db2.gz JPABMMVRDJSYRS-BOIDDXRWSA-N 2 0 351.447 -0.390 20 0 FBADRP COC(=O)[C@@H]1CC[C@@H]([N@@H+]2C[C@@H]3[C@H]4C[NH2+]C[C@H]4C[C@]3(C(=O)OC)C2)CN1 ZINC001246671889 846101496 /nfs/dbraw/zinc/10/14/96/846101496.db2.gz JPABMMVRDJSYRS-YQBONMRBSA-N 2 0 351.447 -0.390 20 0 FBADRP CCOC(=O)[C@@H]1C[C@H]([NH+]2CCC(C(=O)N3CC[NH2+]CC3)CC2)CCN1 ZINC001246678712 846101259 /nfs/dbraw/zinc/10/12/59/846101259.db2.gz XYDBUSOMCUVSQE-CVEARBPZSA-N 2 0 352.479 -0.186 20 0 FBADRP CCOC(=O)[C@@H]1C[C@@H]([NH+]2CCC(C(=O)N3CC[NH2+]CC3)CC2)CCN1 ZINC001246678713 846101054 /nfs/dbraw/zinc/10/10/54/846101054.db2.gz XYDBUSOMCUVSQE-HOTGVXAUSA-N 2 0 352.479 -0.186 20 0 FBADRP CC[C@]1(C(=O)OC)C[C@@H]([NH+]2CCC(C(=O)N3CC[NH2+]CC3)CC2)CN1 ZINC001246678718 846101195 /nfs/dbraw/zinc/10/11/95/846101195.db2.gz YCEFVROOFILSCX-CRAIPNDOSA-N 2 0 352.479 -0.186 20 0 FBADRP CC[C@]1(C(=O)OC)C[C@H]([NH+]2CCC(C(=O)N3CC[NH2+]CC3)CC2)CN1 ZINC001246678719 846101292 /nfs/dbraw/zinc/10/12/92/846101292.db2.gz YCEFVROOFILSCX-MAUKXSAKSA-N 2 0 352.479 -0.186 20 0 FBADRP CC[C@@]1(C(=O)OC)C[C@@H]([NH+]2CCC(C(=O)N3CC[NH2+]CC3)CC2)CN1 ZINC001246678720 846101463 /nfs/dbraw/zinc/10/14/63/846101463.db2.gz YCEFVROOFILSCX-QAPCUYQASA-N 2 0 352.479 -0.186 20 0 FBADRP CC[C@@]1(C(=O)OC)C[C@H]([NH+]2CCC(C(=O)N3CC[NH2+]CC3)CC2)CN1 ZINC001246678721 846102759 /nfs/dbraw/zinc/10/27/59/846102759.db2.gz YCEFVROOFILSCX-YJBOKZPZSA-N 2 0 352.479 -0.186 20 0 FBADRP O=C([C@@H]1C[C@H](N2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)C[NH2+]1)N1CCSC1 ZINC001246685479 846102203 /nfs/dbraw/zinc/10/22/03/846102203.db2.gz OPILKACXDXCJLI-KSXIZUIISA-N 2 0 352.504 -0.297 20 0 FBADRP O=C([C@@H]1C[C@H](N2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)C[NH2+]1)N1CCSC1 ZINC001246685486 846102704 /nfs/dbraw/zinc/10/27/04/846102704.db2.gz OPILKACXDXCJLI-LBKYZSNHSA-N 2 0 352.504 -0.297 20 0 FBADRP O=C([C@@H]1C[C@@H](N2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)C[NH2+]1)N1CCSC1 ZINC001246685490 846102809 /nfs/dbraw/zinc/10/28/09/846102809.db2.gz OPILKACXDXCJLI-SOXILONMSA-N 2 0 352.504 -0.297 20 0 FBADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246685492 846102583 /nfs/dbraw/zinc/10/25/83/846102583.db2.gz FFAZWEGNNCSJEY-LLVKDONJSA-N 2 0 355.464 -0.824 20 0 FBADRP O=C([C@@H]1C[C@@H](N2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)C[NH2+]1)N1CCSC1 ZINC001246685493 846102309 /nfs/dbraw/zinc/10/23/09/846102309.db2.gz OPILKACXDXCJLI-WVCIDPQESA-N 2 0 352.504 -0.297 20 0 FBADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246685495 846102268 /nfs/dbraw/zinc/10/22/68/846102268.db2.gz FFAZWEGNNCSJEY-NSHDSACASA-N 2 0 355.464 -0.824 20 0 FBADRP CS(=O)(=O)N(Cc1ncn2c1C[NH2+]CCC2)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246693432 846102395 /nfs/dbraw/zinc/10/23/95/846102395.db2.gz KCZHOTFBNWSISF-CYBMUJFWSA-N 2 0 368.507 -0.768 20 0 FBADRP CS(=O)(=O)N(Cc1ncn2c1C[NH2+]CCC2)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246693433 846102407 /nfs/dbraw/zinc/10/24/07/846102407.db2.gz KCZHOTFBNWSISF-ZDUSSCGKSA-N 2 0 368.507 -0.768 20 0 FBADRP CNC(=O)CO[C@@H]1COC2(C1)CC[NH+]([C@@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246695197 846102360 /nfs/dbraw/zinc/10/23/60/846102360.db2.gz OFANEGAVGCVKFQ-CABCVRRESA-N 2 0 352.479 -0.534 20 0 FBADRP CNC(=O)CO[C@@H]1COC2(C1)CC[NH+]([C@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246695198 846102610 /nfs/dbraw/zinc/10/26/10/846102610.db2.gz OFANEGAVGCVKFQ-GJZGRUSLSA-N 2 0 352.479 -0.534 20 0 FBADRP CNC(=O)CO[C@H]1COC2(C1)CC[NH+]([C@@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246695199 846102305 /nfs/dbraw/zinc/10/23/05/846102305.db2.gz OFANEGAVGCVKFQ-HUUCEWRRSA-N 2 0 352.479 -0.534 20 0 FBADRP CNC(=O)CO[C@H]1COC2(C1)CC[NH+]([C@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246695201 846102461 /nfs/dbraw/zinc/10/24/61/846102461.db2.gz OFANEGAVGCVKFQ-LSDHHAIUSA-N 2 0 352.479 -0.534 20 0 FBADRP O=C(N[C@@H]1C[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)[C@@H]2COC[C@H]12)c1cscn1 ZINC001246697546 846102428 /nfs/dbraw/zinc/10/24/28/846102428.db2.gz IGJPFIPTXDGZJJ-KYEXWDHISA-N 2 0 363.487 -0.334 20 0 FBADRP O=C(N[C@@H]1C[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)[C@@H]2COC[C@H]12)c1cscn1 ZINC001246697551 846102253 /nfs/dbraw/zinc/10/22/53/846102253.db2.gz IGJPFIPTXDGZJJ-RGCMKSIDSA-N 2 0 363.487 -0.334 20 0 FBADRP CN(C)C(=O)CO[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246703269 846102298 /nfs/dbraw/zinc/10/22/98/846102298.db2.gz RIAHQIKGRNVPCX-JYYAWHABSA-N 2 0 352.479 -0.583 20 0 FBADRP CN(C)C(=O)CO[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246703273 846102653 /nfs/dbraw/zinc/10/26/53/846102653.db2.gz RIAHQIKGRNVPCX-LJIGWXMPSA-N 2 0 352.479 -0.583 20 0 FBADRP CS(=O)(=O)N([C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246709617 846103710 /nfs/dbraw/zinc/10/37/10/846103710.db2.gz XHWYQQPBKIJNIN-XQLPTFJDSA-N 2 0 358.508 -0.891 20 0 FBADRP CS(=O)(=O)N([C@@H]1CCNC2(C[NH2+]C2)C1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12 ZINC001246709620 846103936 /nfs/dbraw/zinc/10/39/36/846103936.db2.gz XHWYQQPBKIJNIN-YJNKXOJESA-N 2 0 358.508 -0.891 20 0 FBADRP CNC(=O)CO[C@@H]1CO[C@]2(C1)CCC[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246710141 846104030 /nfs/dbraw/zinc/10/40/30/846104030.db2.gz MADJTTVIWLNAKX-MPGHIAIKSA-N 2 0 352.479 -0.534 20 0 FBADRP CNC(=O)CO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246710143 846104152 /nfs/dbraw/zinc/10/41/52/846104152.db2.gz MADJTTVIWLNAKX-RLFYNMQTSA-N 2 0 352.479 -0.534 20 0 FBADRP CNC(=O)CO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246710145 846103351 /nfs/dbraw/zinc/10/33/51/846103351.db2.gz MADJTTVIWLNAKX-RVKKMQEKSA-N 2 0 352.479 -0.534 20 0 FBADRP CNC(=O)CO[C@@H]1CO[C@]2(C1)CCC[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246710147 846104195 /nfs/dbraw/zinc/10/41/95/846104195.db2.gz MADJTTVIWLNAKX-VKJFTORMSA-N 2 0 352.479 -0.534 20 0 FBADRP CN(C)C(=O)NC[C@H]1OC[C@@H]2CC[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]21 ZINC001246712346 846103831 /nfs/dbraw/zinc/10/38/31/846103831.db2.gz BXOCDSFZXOSGJK-XUWVNRHRSA-N 2 0 351.495 -0.312 20 0 FBADRP CN(C)C(=O)NC[C@H]1OC[C@@H]2CC[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]21 ZINC001246712347 846103361 /nfs/dbraw/zinc/10/33/61/846103361.db2.gz BXOCDSFZXOSGJK-YHUYYLMFSA-N 2 0 351.495 -0.312 20 0 FBADRP O=C([C@H]1C[C@@H]2[C@@H](CC[N@@H+]2[C@@H]2CCNC3(C[NH2+]C3)C2)O1)N1CCOCC1 ZINC001246722661 846103894 /nfs/dbraw/zinc/10/38/94/846103894.db2.gz JBNRCQPOHYUOSR-KLHDSHLOSA-N 2 0 350.463 -0.829 20 0 FBADRP O=C([C@H]1C[C@@H]2[C@@H](CC[N@@H+]2[C@H]2CCNC3(C[NH2+]C3)C2)O1)N1CCOCC1 ZINC001246722667 846103529 /nfs/dbraw/zinc/10/35/29/846103529.db2.gz JBNRCQPOHYUOSR-ZJIFWQFVSA-N 2 0 350.463 -0.829 20 0 FBADRP O=C([C@H]1C[C@H]2OCC[C@H]2[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1)N1CCCO1 ZINC001246723540 846104284 /nfs/dbraw/zinc/10/42/84/846104284.db2.gz RFVPDDNWWPZHGE-CAOSSQGBSA-N 2 0 350.463 -0.276 20 0 FBADRP O=C([C@H]1C[C@H]2OCC[C@H]2[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1)N1CCCO1 ZINC001246723546 846104301 /nfs/dbraw/zinc/10/43/01/846104301.db2.gz RFVPDDNWWPZHGE-ZJIFWQFVSA-N 2 0 350.463 -0.276 20 0 FBADRP CN(C)C(=O)COC[C@]12COC[C@H]1C[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246725069 846104085 /nfs/dbraw/zinc/10/40/85/846104085.db2.gz OAQMJJGTOZXIDU-INMHGKMJSA-N 2 0 352.479 -0.866 20 0 FBADRP CN(C)C(=O)COC[C@]12COC[C@H]1C[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246725076 846103584 /nfs/dbraw/zinc/10/35/84/846103584.db2.gz OAQMJJGTOZXIDU-VYDXJSESSA-N 2 0 352.479 -0.866 20 0 FBADRP O=C([C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2[C@@H]2CCNC3(C[NH2+]C3)C2)O1)N1CCCO1 ZINC001246728483 846104295 /nfs/dbraw/zinc/10/42/95/846104295.db2.gz KQROWWNMTRDNAN-KLHDSHLOSA-N 2 0 350.463 -0.134 20 0 FBADRP O=C([C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2[C@H]2CCNC3(C[NH2+]C3)C2)O1)N1CCCO1 ZINC001246728484 846104180 /nfs/dbraw/zinc/10/41/80/846104180.db2.gz KQROWWNMTRDNAN-ZJIFWQFVSA-N 2 0 350.463 -0.134 20 0 FBADRP COCC[N@@H+]1CCO[C@@H]2C[NH+]([C@H]3CC[C@@H](C(=O)OC)NC3)CC[C@@H]2C1 ZINC001246731500 846105369 /nfs/dbraw/zinc/10/53/69/846105369.db2.gz XLSNPBKNVZLOKS-LTIDMASMSA-N 2 0 355.479 -0.051 20 0 FBADRP COCC[N@@H+]1CCO[C@@H]2C[NH+]([C@@H]3CC[C@@H](C(=O)OC)NC3)CC[C@@H]2C1 ZINC001246731502 846104862 /nfs/dbraw/zinc/10/48/62/846104862.db2.gz XLSNPBKNVZLOKS-WCXIOVBPSA-N 2 0 355.479 -0.051 20 0 FBADRP CS(=O)(=O)N1CCOCC2(CC[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)CC2)C1 ZINC001246732361 846105023 /nfs/dbraw/zinc/10/50/23/846105023.db2.gz AVQHOTDQWDUUAF-HNNXBMFYSA-N 2 0 372.535 -0.546 20 0 FBADRP CS(=O)(=O)N1CCOCC2(CC[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)C1 ZINC001246732364 846105596 /nfs/dbraw/zinc/10/55/96/846105596.db2.gz AVQHOTDQWDUUAF-OAHLLOKOSA-N 2 0 372.535 -0.546 20 0 FBADRP CCS(=O)(=O)N([C@@H]1CCNC2(C[NH2+]C2)C1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12 ZINC001246741095 846104962 /nfs/dbraw/zinc/10/49/62/846104962.db2.gz RIPOLKZEKBJORV-JJXSEGSLSA-N 2 0 372.535 -0.501 20 0 FBADRP CCS(=O)(=O)N([C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246741107 846105539 /nfs/dbraw/zinc/10/55/39/846105539.db2.gz RIPOLKZEKBJORV-JONQDZQNSA-N 2 0 372.535 -0.501 20 0 FBADRP O=C([C@H]1COC[C@H]2C[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@H]21)N1CCCO1 ZINC001246745932 846105081 /nfs/dbraw/zinc/10/50/81/846105081.db2.gz PYYBHXRTJQHNOA-FPCVCCKLSA-N 2 0 350.463 -0.561 20 0 FBADRP O=C([C@H]1COC[C@H]2C[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@H]21)N1CCCO1 ZINC001246745933 846105675 /nfs/dbraw/zinc/10/56/75/846105675.db2.gz PYYBHXRTJQHNOA-QXSJWSMHSA-N 2 0 350.463 -0.561 20 0 FBADRP CN(C)C(=O)N[C@@H]1CCO[C@]2(CC[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C2)C1 ZINC001246748891 846105186 /nfs/dbraw/zinc/10/51/86/846105186.db2.gz CVYYMFFFBPWFCM-IIDMSEBBSA-N 2 0 351.495 -0.025 20 0 FBADRP CN(C)C(=O)N[C@@H]1CCO[C@]2(CC[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C2)C1 ZINC001246748893 846105496 /nfs/dbraw/zinc/10/54/96/846105496.db2.gz CVYYMFFFBPWFCM-RVKKMQEKSA-N 2 0 351.495 -0.025 20 0 FBADRP CN(C)S(=O)(=O)N1CC[C@@H]2C[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@H]2C1 ZINC001246750160 846106509 /nfs/dbraw/zinc/10/65/09/846106509.db2.gz YNKMGQQGAMIHAZ-ILXRZTDVSA-N 2 0 357.524 -0.860 20 0 FBADRP CN(C)S(=O)(=O)N1CC[C@@H]2C[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@H]2C1 ZINC001246750187 846106148 /nfs/dbraw/zinc/10/61/48/846106148.db2.gz YNKMGQQGAMIHAZ-QLFBSQMISA-N 2 0 357.524 -0.860 20 0 FBADRP COCCN1CCO[C@H]2C[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)CC[C@H]2C1=O ZINC001246756643 846106370 /nfs/dbraw/zinc/10/63/70/846106370.db2.gz NOXXELUUJATTIK-OAGGEKHMSA-N 2 0 352.479 -0.724 20 0 FBADRP COCCN1CCO[C@H]2C[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)CC[C@H]2C1=O ZINC001246756645 846106273 /nfs/dbraw/zinc/10/62/73/846106273.db2.gz NOXXELUUJATTIK-XHSDSOJGSA-N 2 0 352.479 -0.724 20 0 FBADRP CN(C)C(=O)CN1C[C@H]2CC[N@@H+](C3CC[NH2+]CC3)CC[C@H]2S1(=O)=O ZINC001246759943 846106432 /nfs/dbraw/zinc/10/64/32/846106432.db2.gz NHZBWOOPHIMAFQ-UKRRQHHQSA-N 2 0 358.508 -0.447 20 0 FBADRP C[C@@H]1C[C@H]([N@@H+]2CC[C@@H]3CN(CC(=O)N(C)C)S(=O)(=O)[C@@H]3CC2)CC[NH2+]1 ZINC001246761926 846106324 /nfs/dbraw/zinc/10/63/24/846106324.db2.gz WWEBEDQDSSVXFC-KLHDSHLOSA-N 2 0 372.535 -0.059 20 0 FBADRP C[C@@H]1C[C@@H]([N@@H+]2CC[C@@H]3CN(CC(=O)N(C)C)S(=O)(=O)[C@@H]3CC2)CC[NH2+]1 ZINC001246761936 846106422 /nfs/dbraw/zinc/10/64/22/846106422.db2.gz WWEBEDQDSSVXFC-LVQVYYBASA-N 2 0 372.535 -0.059 20 0 FBADRP C[C@H]1C[C@@H]([N@@H+]2CC[C@@H]3CN(CC(=O)N(C)C)S(=O)(=O)[C@@H]3CC2)CC[NH2+]1 ZINC001246761941 846106448 /nfs/dbraw/zinc/10/64/48/846106448.db2.gz WWEBEDQDSSVXFC-XUWVNRHRSA-N 2 0 372.535 -0.059 20 0 FBADRP C[C@H]1C[C@H]([N@@H+]2CC[C@@H]3CN(CC(=O)N(C)C)S(=O)(=O)[C@@H]3CC2)CC[NH2+]1 ZINC001246761950 846105999 /nfs/dbraw/zinc/10/59/99/846105999.db2.gz WWEBEDQDSSVXFC-ZJIFWQFVSA-N 2 0 372.535 -0.059 20 0 FBADRP O=C([C@@H]1C[C@@H](N2CCN(C3CC[NH2+]CC3)CC2)C[NH2+]1)N1CCSC1 ZINC001246796961 846106115 /nfs/dbraw/zinc/10/61/15/846106115.db2.gz RWHPRCZRQBEFSR-CVEARBPZSA-N 2 0 353.536 -0.381 20 0 FBADRP O=C([C@@H]1C[C@H](N2CCN(C3CC[NH2+]CC3)CC2)C[NH2+]1)N1CCSC1 ZINC001246796962 846106237 /nfs/dbraw/zinc/10/62/37/846106237.db2.gz RWHPRCZRQBEFSR-HOTGVXAUSA-N 2 0 353.536 -0.381 20 0 FBADRP O=S(=O)(N(C[C@H]1CCC[NH2+]1)[C@@H]1CCNC2(C[NH2+]C2)C1)C(F)(F)F ZINC001246817954 846107900 /nfs/dbraw/zinc/10/79/00/846107900.db2.gz BJSAYWLEZYPRNC-GHMZBOCLSA-N 2 0 356.414 -0.016 20 0 FBADRP O=S(=O)(N(C[C@H]1CCC[NH2+]1)[C@H]1CCNC2(C[NH2+]C2)C1)C(F)(F)F ZINC001246817960 846107707 /nfs/dbraw/zinc/10/77/07/846107707.db2.gz BJSAYWLEZYPRNC-MNOVXSKESA-N 2 0 356.414 -0.016 20 0 FBADRP O=C(N1CCC(N2CC[NH2+]CCNCC[NH2+]CC2)CC1)C(F)(F)F ZINC001246822039 846107627 /nfs/dbraw/zinc/10/76/27/846107627.db2.gz QOPQCTQELQXVFQ-UHFFFAOYSA-N 2 0 351.417 -0.376 20 0 FBADRP COC(=O)C1C[C@@H]2CC(N3CC[NH2+]CCNCC[NH2+]CC3)C[C@H](C1)[NH2+]2 ZINC001246823228 846107693 /nfs/dbraw/zinc/10/76/93/846107693.db2.gz USIKHDKULXEZKY-HPZPOOBXSA-N 3 0 353.511 -0.857 20 0 FBADRP C[C@@H](CS(=O)(=O)c1ccccc1)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001246823798 846107655 /nfs/dbraw/zinc/10/76/55/846107655.db2.gz WPQAOFKRPWIBPI-INIZCTEOSA-N 2 0 354.520 -0.067 20 0 FBADRP C[C@H](CS(=O)(=O)c1ccccc1)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001246823801 846107828 /nfs/dbraw/zinc/10/78/28/846107828.db2.gz WPQAOFKRPWIBPI-MRXNPFEDSA-N 2 0 354.520 -0.067 20 0 FBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](C3CCN(S(C)(=O)=O)CC3)C[C@H]1C2 ZINC001246859660 846107556 /nfs/dbraw/zinc/10/75/56/846107556.db2.gz QJNWOVNRNWEKIS-JWDQPFGJSA-N 2 0 371.503 -0.259 20 0 FBADRP COC(=O)[C@@H]1CC[C@H]([N@@H+]2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)CN1 ZINC001246860176 846107378 /nfs/dbraw/zinc/10/73/78/846107378.db2.gz UGEUENFNAASIQR-BOIDDXRWSA-N 2 0 351.447 -0.390 20 0 FBADRP COC(=O)[C@@H]1CC[C@@H]([N@@H+]2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)CN1 ZINC001246860180 846107620 /nfs/dbraw/zinc/10/76/20/846107620.db2.gz UGEUENFNAASIQR-YQBONMRBSA-N 2 0 351.447 -0.390 20 0 FBADRP COC(=O)[C@@H]1C[C@@H]([N@@H+]2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)CCN1 ZINC001246861379 846107681 /nfs/dbraw/zinc/10/76/81/846107681.db2.gz YAHOVKQJUMHLSE-BOIDDXRWSA-N 2 0 351.447 -0.390 20 0 FBADRP COC(=O)[C@@H]1C[C@H]([N@@H+]2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)CCN1 ZINC001246861382 846107589 /nfs/dbraw/zinc/10/75/89/846107589.db2.gz YAHOVKQJUMHLSE-YQBONMRBSA-N 2 0 351.447 -0.390 20 0 FBADRP COC(=O)[C@H]([NH3+])C1CCN([C@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)CC1 ZINC001246868008 846107882 /nfs/dbraw/zinc/10/78/82/846107882.db2.gz MEUKHXHFVQMYLX-HZSPNIEDSA-N 2 0 356.492 -0.538 20 0 FBADRP COC(=O)[C@@H]([NH3+])C1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)CC1 ZINC001246868011 846107577 /nfs/dbraw/zinc/10/75/77/846107577.db2.gz MEUKHXHFVQMYLX-IHRRRGAJSA-N 2 0 356.492 -0.538 20 0 FBADRP COC(=O)[C@H]([NH3+])C1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)CC1 ZINC001246868012 846107460 /nfs/dbraw/zinc/10/74/60/846107460.db2.gz MEUKHXHFVQMYLX-MELADBBJSA-N 2 0 356.492 -0.538 20 0 FBADRP COC(=O)[C@@H]([NH3+])C1CCN([C@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)CC1 ZINC001246868013 846108805 /nfs/dbraw/zinc/10/88/05/846108805.db2.gz MEUKHXHFVQMYLX-RDBSUJKOSA-N 2 0 356.492 -0.538 20 0 FBADRP [NH3+]CC1CN([C@H]2CCCN([C@@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)C2)C1 ZINC001246870241 846108581 /nfs/dbraw/zinc/10/85/81/846108581.db2.gz JWWYOXBEFRLYNI-JYJNAYRXSA-N 2 0 353.536 -0.395 20 0 FBADRP [NH3+]CC1CN([C@@H]2CCCN([C@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)C2)C1 ZINC001246870247 846109055 /nfs/dbraw/zinc/10/90/55/846109055.db2.gz JWWYOXBEFRLYNI-OAGGEKHMSA-N 2 0 353.536 -0.395 20 0 FBADRP [NH3+]CC1CN([C@@H]2CCCN([C@@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)C2)C1 ZINC001246870250 846109034 /nfs/dbraw/zinc/10/90/34/846109034.db2.gz JWWYOXBEFRLYNI-PMPSAXMXSA-N 2 0 353.536 -0.395 20 0 FBADRP [NH3+]CC1CN([C@H]2CCCN([C@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)C2)C1 ZINC001246870254 846108548 /nfs/dbraw/zinc/10/85/48/846108548.db2.gz JWWYOXBEFRLYNI-XHSDSOJGSA-N 2 0 353.536 -0.395 20 0 FBADRP O=C([C@@H]1C[C@@H](N2CCC(N3CC[NH2+]CC3)CC2)C[NH2+]1)N1CCSC1 ZINC001246885384 846108946 /nfs/dbraw/zinc/10/89/46/846108946.db2.gz GDKIQVJTZLAIDH-CVEARBPZSA-N 2 0 353.536 -0.381 20 0 FBADRP O=C([C@@H]1C[C@H](N2CCC(N3CC[NH2+]CC3)CC2)C[NH2+]1)N1CCSC1 ZINC001246885386 846108664 /nfs/dbraw/zinc/10/86/64/846108664.db2.gz GDKIQVJTZLAIDH-HOTGVXAUSA-N 2 0 353.536 -0.381 20 0 FBADRP O=C([C@@H]1C[C@H](N2CCN([C@@H]3CC[NH2+]C3)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001246920323 846108553 /nfs/dbraw/zinc/10/85/53/846108553.db2.gz ZXDLVTQSSYRDGO-ILXRZTDVSA-N 2 0 357.449 -0.436 20 0 FBADRP O=C([C@@H]1C[C@H](N2CCN([C@H]3CC[NH2+]C3)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001246920330 846108901 /nfs/dbraw/zinc/10/89/01/846108901.db2.gz ZXDLVTQSSYRDGO-KKUMJFAQSA-N 2 0 357.449 -0.436 20 0 FBADRP CCOC(=O)CN1CCC(N(CCC[NH3+])CC(=O)NCCC[NH3+])CC1 ZINC001246922180 846108606 /nfs/dbraw/zinc/10/86/06/846108606.db2.gz VIKAVPNBUGDQNR-UHFFFAOYSA-N 3 0 357.499 -0.870 20 0 FBADRP O=S(=O)(c1ccccn1)N([C@H]1CC[NH2+]C1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246922663 846110121 /nfs/dbraw/zinc/11/01/21/846110121.db2.gz VVAHZZIWVOLJAQ-KBPBESRZSA-N 2 0 351.476 -0.472 20 0 FBADRP O=S(=O)(c1ccccn1)N([C@H]1CC[NH2+]C1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246922674 846109910 /nfs/dbraw/zinc/10/99/10/846109910.db2.gz VVAHZZIWVOLJAQ-KGLIPLIRSA-N 2 0 351.476 -0.472 20 0 FBADRP O=S(=O)(c1ccccn1)N([C@@H]1CC[NH2+]C1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246922677 846110158 /nfs/dbraw/zinc/11/01/58/846110158.db2.gz VVAHZZIWVOLJAQ-UONOGXRCSA-N 2 0 351.476 -0.472 20 0 FBADRP O=S(=O)(c1ccccn1)N([C@@H]1CC[NH2+]C1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246922680 846109848 /nfs/dbraw/zinc/10/98/48/846109848.db2.gz VVAHZZIWVOLJAQ-ZIAGYGMSSA-N 2 0 351.476 -0.472 20 0 FBADRP CC(C)(C)OC(=O)[C@@H]1C[C@H](N(CCC[NH3+])CC(=O)NCCC[NH3+])CN1 ZINC001246923111 846109803 /nfs/dbraw/zinc/10/98/03/846109803.db2.gz APUMHQKIPIRNEW-KBPBESRZSA-N 2 0 357.499 -0.826 20 0 FBADRP CC(C)(C)OC(=O)[C@@H]1C[C@@H](N(CCC[NH3+])CC(=O)NCCC[NH3+])CN1 ZINC001246923114 846109959 /nfs/dbraw/zinc/10/99/59/846109959.db2.gz APUMHQKIPIRNEW-KGLIPLIRSA-N 2 0 357.499 -0.826 20 0 FBADRP C[C@@H](CS(=O)(=O)c1ccccc1)N(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246926431 846110101 /nfs/dbraw/zinc/11/01/01/846110101.db2.gz TXNPPEQLRKJUBM-HNNXBMFYSA-N 2 0 370.519 -0.035 20 0 FBADRP C[C@H](CS(=O)(=O)c1ccccc1)N(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246926432 846110065 /nfs/dbraw/zinc/11/00/65/846110065.db2.gz TXNPPEQLRKJUBM-OAHLLOKOSA-N 2 0 370.519 -0.035 20 0 FBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])C1CCN(C(=O)C(F)(F)F)CC1 ZINC001246926818 846110254 /nfs/dbraw/zinc/11/02/54/846110254.db2.gz VHFDVHILXDTYEA-UHFFFAOYSA-N 2 0 367.416 -0.345 20 0 FBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])C1CCC([NH+]2CCOCC2)CC1 ZINC001246926829 846110369 /nfs/dbraw/zinc/11/03/69/846110369.db2.gz VOWQXJITNUAJMS-UHFFFAOYSA-N 3 0 355.527 -0.254 20 0 FBADRP C(C[N@H+](CC1CC[NH2+]CC1)[C@@H]1CCNC2(C[NH2+]C2)C1)N1CCOCC1 ZINC001246938137 846109740 /nfs/dbraw/zinc/10/97/40/846109740.db2.gz RGDRXVXMECOQNZ-GOSISDBHSA-N 3 0 351.539 -0.286 20 0 FBADRP C(C[N@H+](CC1CC[NH2+]CC1)[C@H]1CCNC2(C[NH2+]C2)C1)N1CCOCC1 ZINC001246938138 846110168 /nfs/dbraw/zinc/11/01/68/846110168.db2.gz RGDRXVXMECOQNZ-SFHVURJKSA-N 3 0 351.539 -0.286 20 0 FBADRP COC(=O)[C@H]1C[C@H]([N@H+](CCN2CCOCC2)CC2CC[NH2+]CC2)CN1 ZINC001246940726 846110036 /nfs/dbraw/zinc/11/00/36/846110036.db2.gz XVRBPXOEKXHQKU-DLBZAZTESA-N 2 0 354.495 -0.476 20 0 FBADRP COC(=O)[C@H]1C[C@@H]([N@H+](CCN2CCOCC2)CC2CC[NH2+]CC2)CN1 ZINC001246940757 846110219 /nfs/dbraw/zinc/11/02/19/846110219.db2.gz XVRBPXOEKXHQKU-IAGOWNOFSA-N 2 0 354.495 -0.476 20 0 FBADRP COC(=O)[C@@H]1C[C@H]([N@H+](CCN2CCOCC2)CC2CC[NH2+]CC2)CN1 ZINC001246940758 846110308 /nfs/dbraw/zinc/11/03/08/846110308.db2.gz XVRBPXOEKXHQKU-IRXDYDNUSA-N 2 0 354.495 -0.476 20 0 FBADRP COC(=O)[C@@H]1C[C@@H]([N@H+](CCN2CCOCC2)CC2CC[NH2+]CC2)CN1 ZINC001246940759 846110009 /nfs/dbraw/zinc/11/00/09/846110009.db2.gz XVRBPXOEKXHQKU-SJORKVTESA-N 2 0 354.495 -0.476 20 0 FBADRP O=S(=O)(c1ccccn1)N(C1CC[NH2+]CC1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246960428 846110976 /nfs/dbraw/zinc/11/09/76/846110976.db2.gz VRAGSKIIZBTQTD-HNNXBMFYSA-N 2 0 365.503 -0.082 20 0 FBADRP O=S(=O)(c1ccccn1)N(C1CC[NH2+]CC1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246960431 846111547 /nfs/dbraw/zinc/11/15/47/846111547.db2.gz VRAGSKIIZBTQTD-OAHLLOKOSA-N 2 0 365.503 -0.082 20 0 FBADRP O=S(=O)(c1cccnc1)N(C1CC[NH2+]CC1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246961063 846111376 /nfs/dbraw/zinc/11/13/76/846111376.db2.gz XJFUQOAOEMPQKU-HNNXBMFYSA-N 2 0 365.503 -0.082 20 0 FBADRP O=S(=O)(c1cccnc1)N(C1CC[NH2+]CC1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246961064 846111066 /nfs/dbraw/zinc/11/10/66/846111066.db2.gz XJFUQOAOEMPQKU-OAHLLOKOSA-N 2 0 365.503 -0.082 20 0 FBADRP [NH3+][C@@H]1CCN(C2CCN([C@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)CC2)C1 ZINC001246969217 846111495 /nfs/dbraw/zinc/11/14/95/846111495.db2.gz VSZJXGHCQDFAOP-BMFZPTHFSA-N 2 0 353.536 -0.253 20 0 FBADRP [NH3+][C@H]1CCN(C2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)CC2)C1 ZINC001246969218 846111213 /nfs/dbraw/zinc/11/12/13/846111213.db2.gz VSZJXGHCQDFAOP-BPUTZDHNSA-N 2 0 353.536 -0.253 20 0 FBADRP [NH3+][C@H]1CCN(C2CCN([C@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)CC2)C1 ZINC001246969221 846111472 /nfs/dbraw/zinc/11/14/72/846111472.db2.gz VSZJXGHCQDFAOP-IMJJTQAJSA-N 2 0 353.536 -0.253 20 0 FBADRP [NH3+][C@@H]1CCN(C2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)CC2)C1 ZINC001246969226 846111131 /nfs/dbraw/zinc/11/11/31/846111131.db2.gz VSZJXGHCQDFAOP-KBMXLJTQSA-N 2 0 353.536 -0.253 20 0 FBADRP [NH3+]C1CCN([C@H]2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)C2)CC1 ZINC001246973070 846111267 /nfs/dbraw/zinc/11/12/67/846111267.db2.gz FGEGQKLPAKRUMX-JYJNAYRXSA-N 3 0 353.536 -0.253 20 0 FBADRP [NH3+]C1CCN([C@@H]2CCN([C@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)C2)CC1 ZINC001246973071 846111406 /nfs/dbraw/zinc/11/14/06/846111406.db2.gz FGEGQKLPAKRUMX-OAGGEKHMSA-N 3 0 353.536 -0.253 20 0 FBADRP [NH3+]C1CCN([C@@H]2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)C2)CC1 ZINC001246973072 846111391 /nfs/dbraw/zinc/11/13/91/846111391.db2.gz FGEGQKLPAKRUMX-PMPSAXMXSA-N 3 0 353.536 -0.253 20 0 FBADRP [NH3+]C1CCN([C@H]2CCN([C@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)C2)CC1 ZINC001246973074 846110875 /nfs/dbraw/zinc/11/08/75/846110875.db2.gz FGEGQKLPAKRUMX-XHSDSOJGSA-N 3 0 353.536 -0.253 20 0 FBADRP COC(=O)[C@]12CC[NH2+][C@H]1CN([C@H]1C[NH2+][C@H](C(=O)N3CCSC3)C1)CC2 ZINC001246985844 846111371 /nfs/dbraw/zinc/11/13/71/846111371.db2.gz INSSIRGEXXGKIB-FHIRATQRSA-N 2 0 368.503 -0.523 20 0 FBADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN([C@H]1C[NH2+][C@H](C(=O)N3CCSC3)C1)CC2 ZINC001246985935 846111109 /nfs/dbraw/zinc/11/11/09/846111109.db2.gz INSSIRGEXXGKIB-OEUWWYETSA-N 2 0 368.503 -0.523 20 0 FBADRP COC(=O)[C@]12CC[NH2+][C@H]1CN([C@@H]1C[NH2+][C@H](C(=O)N3CCSC3)C1)CC2 ZINC001246985937 846111528 /nfs/dbraw/zinc/11/15/28/846111528.db2.gz INSSIRGEXXGKIB-WSMBLCCSSA-N 2 0 368.503 -0.523 20 0 FBADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN([C@@H]1C[NH2+][C@H](C(=O)N3CCSC3)C1)CC2 ZINC001246985940 846111197 /nfs/dbraw/zinc/11/11/97/846111197.db2.gz INSSIRGEXXGKIB-ZJOBFFGXSA-N 2 0 368.503 -0.523 20 0 FBADRP C[NH+](C)CCN([C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1)C1CC[NH2+]CC1 ZINC001246986836 846111017 /nfs/dbraw/zinc/11/10/17/846111017.db2.gz MCLTZZTZGCLICC-CVEARBPZSA-N 3 0 355.552 -0.135 20 0 FBADRP C[NH+](C)CCN([C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1)C1CC[NH2+]CC1 ZINC001246986877 846111045 /nfs/dbraw/zinc/11/10/45/846111045.db2.gz MCLTZZTZGCLICC-HOTGVXAUSA-N 3 0 355.552 -0.135 20 0 FBADRP C[NH+](C)CCN([C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1)[C@H]1CCC[NH2+]C1 ZINC001246989239 846111205 /nfs/dbraw/zinc/11/12/05/846111205.db2.gz QNOAQLGCYRRDHN-JYJNAYRXSA-N 3 0 355.552 -0.135 20 0 FBADRP C[NH+](C)CCN([C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1)[C@@H]1CCC[NH2+]C1 ZINC001246989240 846111450 /nfs/dbraw/zinc/11/14/50/846111450.db2.gz QNOAQLGCYRRDHN-OAGGEKHMSA-N 3 0 355.552 -0.135 20 0 FBADRP C[NH+](C)CCN([C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1)[C@@H]1CCC[NH2+]C1 ZINC001246989241 846111347 /nfs/dbraw/zinc/11/13/47/846111347.db2.gz QNOAQLGCYRRDHN-PMPSAXMXSA-N 3 0 355.552 -0.135 20 0 FBADRP C[NH+](C)CCN([C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1)[C@H]1CCC[NH2+]C1 ZINC001246989242 846111027 /nfs/dbraw/zinc/11/10/27/846111027.db2.gz QNOAQLGCYRRDHN-XHSDSOJGSA-N 3 0 355.552 -0.135 20 0 FBADRP CS(=O)(=O)N(CC[NH3+])Cc1nc(-c2ccc3c(n2)CC[NH2+]C3)no1 ZINC001248899898 846126516 /nfs/dbraw/zinc/12/65/16/846126516.db2.gz WGGWMAAYSWBZGR-UHFFFAOYSA-N 2 0 352.420 -0.502 20 0 FBADRP C[NH+](C)CCNC(=S)N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001249832101 846128240 /nfs/dbraw/zinc/12/82/40/846128240.db2.gz DTHNDCFZONFRGY-UHFFFAOYSA-N 2 0 365.551 -0.118 20 0 FBADRP C[NH+](C)CCNC(=S)N1CCCn2c(=O)cc(C[NH+](C)C)nc2C1 ZINC001249833346 846128252 /nfs/dbraw/zinc/12/82/52/846128252.db2.gz QIJNUUAJRXQNQR-UHFFFAOYSA-N 2 0 352.508 -0.053 20 0 FBADRP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2CN(C(=S)NCC[NH+](C)C)CC[C@@H]2C1 ZINC001249833570 846128580 /nfs/dbraw/zinc/12/85/80/846128580.db2.gz UWSZQIUIDGZFOZ-HUUCEWRRSA-N 2 0 371.551 -0.467 20 0 FBADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=S)NCC[NH+](C)C)CC2 ZINC001249834654 846128511 /nfs/dbraw/zinc/12/85/11/846128511.db2.gz PGKBKHGQQZJPAP-UHFFFAOYSA-N 2 0 368.507 -0.240 20 0 FBADRP COCC[N@@H+]1CCO[C@@H]2C[NH+](C[C@@H](O)CN3CCOCC3)CC[C@@H]2C1 ZINC001251016099 846136583 /nfs/dbraw/zinc/13/65/83/846136583.db2.gz IUEHNMWSTCACDT-FGTMMUONSA-N 2 0 357.495 -0.651 20 0 FBADRP COCC[N@@H+]1CCO[C@@H]2C[NH+](C[C@H](O)CN3CCOCC3)CC[C@@H]2C1 ZINC001251016100 846136554 /nfs/dbraw/zinc/13/65/54/846136554.db2.gz IUEHNMWSTCACDT-KZNAEPCWSA-N 2 0 357.495 -0.651 20 0 FBADRP CN(C)S(=O)(=O)N1CCC([NH+]2CCC(N3CC[NH+](C)CC3)CC2)CC1 ZINC001251077859 846141805 /nfs/dbraw/zinc/14/18/05/846141805.db2.gz ADALFVIKFHINOG-UHFFFAOYSA-N 2 0 373.567 -0.031 20 0 FBADRP CCOC[C@@H](O)C[NH+]1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001252024187 846171926 /nfs/dbraw/zinc/17/19/26/846171926.db2.gz KCWIHPOHEKHTJA-INIZCTEOSA-N 2 0 356.511 -0.446 20 0 FBADRP CCOC[C@H](O)C[NH+]1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001252024191 846171645 /nfs/dbraw/zinc/17/16/45/846171645.db2.gz KCWIHPOHEKHTJA-MRXNPFEDSA-N 2 0 356.511 -0.446 20 0 FBADRP C[NH+]1CCC2(CC1)NC(=O)N(CN1CC[NH+](CC(C)(C)O)CC1)C2=O ZINC001252132472 846176139 /nfs/dbraw/zinc/17/61/39/846176139.db2.gz LMLAAUMDTVCSGM-UHFFFAOYSA-N 2 0 353.467 -0.651 20 0 FBADRP COC(=O)[C@H](O)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001252417093 846186491 /nfs/dbraw/zinc/18/64/91/846186491.db2.gz HFOXNIKIOXXQAG-BZUAXINKSA-N 2 0 353.463 -0.073 20 0 FBADRP COC(=O)[C@@H](O)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001252417095 846186304 /nfs/dbraw/zinc/18/63/04/846186304.db2.gz HFOXNIKIOXXQAG-OAGGEKHMSA-N 2 0 353.463 -0.073 20 0 FBADRP COC(=O)[C@H](O)C[N@@H+]1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001252417684 846186065 /nfs/dbraw/zinc/18/60/65/846186065.db2.gz LULZMXUVWWNVFT-JFIYKMOQSA-N 2 0 355.479 -0.219 20 0 FBADRP COC(=O)[C@@H](O)C[N@@H+]1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001252417685 846186201 /nfs/dbraw/zinc/18/62/01/846186201.db2.gz LULZMXUVWWNVFT-SOLBZPMBSA-N 2 0 355.479 -0.219 20 0 FBADRP CC(C)OC[C@H](O)C[N@@H+]1CC[C@@H]2C[NH+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001252676397 846196643 /nfs/dbraw/zinc/19/66/43/846196643.db2.gz MQZORLQGNXZADL-BRWVUGGUSA-N 2 0 357.495 -0.117 20 0 FBADRP CC(C)OC[C@@H](O)C[N@@H+]1CC[C@@H]2C[NH+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001252676398 846196600 /nfs/dbraw/zinc/19/66/00/846196600.db2.gz MQZORLQGNXZADL-IXDOHACOSA-N 2 0 357.495 -0.117 20 0 FBADRP OCC[NH+](CCO)CCCNC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252944551 846205872 /nfs/dbraw/zinc/20/58/72/846205872.db2.gz YTCMHBVXFKIYOQ-IBGZPJMESA-N 2 0 351.491 -0.110 20 0 FBADRP OCC[NH+](CCO)CCCNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252944553 846205252 /nfs/dbraw/zinc/20/52/52/846205252.db2.gz YTCMHBVXFKIYOQ-LJQANCHMSA-N 2 0 351.491 -0.110 20 0 FBADRP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+](CC3(O)CCOCC3)CC[C@@H]2C1 ZINC001252961461 846205701 /nfs/dbraw/zinc/20/57/01/846205701.db2.gz PPJGLWOSBHFBGF-HZPDHXFCSA-N 2 0 355.479 -0.361 20 0 FBADRP CNC(=O)CN1C(=O)CC[C@]12CCCN(C[C@H](O)C[NH2+]C(C)(C)C)C2 ZINC001253388970 846218698 /nfs/dbraw/zinc/21/86/98/846218698.db2.gz RSWNZSCJSHBQAH-KDOFPFPSSA-N 2 0 354.495 -0.062 20 0 FBADRP CN(C)C(=O)COC[C@]12COC[C@H]1C[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2 ZINC001253389986 846219993 /nfs/dbraw/zinc/21/99/93/846219993.db2.gz HJNKJVPKIGGOJR-RKVPGOIHSA-N 2 0 357.495 -0.211 20 0 FBADRP OC[C@H]1C[C@@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)[C@H](O)[C@@H]1O ZINC001254049500 846244227 /nfs/dbraw/zinc/24/42/27/846244227.db2.gz FVWIIFRKEBOVHK-TVFCKZIOSA-N 2 0 350.459 -0.294 20 0 FBADRP COC(=O)c1cn(CCc2cn(CCCC[NH2+]CCC[NH3+])nn2)nn1 ZINC001254163961 846249653 /nfs/dbraw/zinc/24/96/53/846249653.db2.gz BQDUJNPMKWZEKT-UHFFFAOYSA-N 2 0 350.427 -0.383 20 0 FBADRP [NH3+]CCOCCOCCOCCOCCOCC[NH2+][C@H]1CCCOC1 ZINC001254368427 846261360 /nfs/dbraw/zinc/26/13/60/846261360.db2.gz PUPBBWSHGNDOMW-KRWDZBQOSA-N 2 0 364.483 -0.203 20 0 FBADRP [NH3+]CCOCCOCCOCCOCCOCC[NH2+][C@@H]1CCCOC1 ZINC001254368430 846262296 /nfs/dbraw/zinc/26/22/96/846262296.db2.gz PUPBBWSHGNDOMW-QGZVFWFLSA-N 2 0 364.483 -0.203 20 0 FBADRP CC(=O)N1CCC([NH2+]CCOCCOCCOCCOCC[NH3+])CC1 ZINC001254419187 846263588 /nfs/dbraw/zinc/26/35/88/846263588.db2.gz OLZIQTRRYTZFKI-UHFFFAOYSA-N 2 0 361.483 -0.388 20 0 FBADRP Cc1cn([C@H]2C[C@H]([NH2+][C@H]3CCC[N@@H+](C)CC3)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001254507665 846267673 /nfs/dbraw/zinc/26/76/73/846267673.db2.gz FGEKLSQOCPQLEF-BYNSBNAKSA-N 2 0 352.435 -0.020 20 0 FBADRP Cc1cn([C@H]2C[C@H]([NH2+][C@@H]3CCC[N@@H+](C)CC3)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001254507668 846268318 /nfs/dbraw/zinc/26/83/18/846268318.db2.gz FGEKLSQOCPQLEF-LXTVHRRPSA-N 2 0 352.435 -0.020 20 0 FBADRP [NH3+]CCOCCOCCOCCOCCOCC[NH2+]C1CCOCC1 ZINC001255033473 846284650 /nfs/dbraw/zinc/28/46/50/846284650.db2.gz HPIFUXRDBQTAOT-UHFFFAOYSA-N 2 0 364.483 -0.203 20 0 FBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])[C@@H]2CC[N@H+](C)C2)c2nonc21 ZINC001255420945 846306051 /nfs/dbraw/zinc/30/60/51/846306051.db2.gz MSEGDBODLKCWSI-LLVKDONJSA-N 2 0 368.463 -0.058 20 0 FBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])[C@H]2CC[N@H+](C)C2)c2nonc21 ZINC001255420953 846306320 /nfs/dbraw/zinc/30/63/20/846306320.db2.gz MSEGDBODLKCWSI-NSHDSACASA-N 2 0 368.463 -0.058 20 0 FBADRP CN1CC[C@H]([NH2+]CCOCCOCCOCCOCCOCC[NH3+])C1 ZINC001255423942 846306969 /nfs/dbraw/zinc/30/69/69/846306969.db2.gz ONHOXUXXNODOKM-KRWDZBQOSA-N 2 0 363.499 -0.678 20 0 FBADRP CN1CC[C@@H]([NH2+]CCOCCOCCOCCOCCOCC[NH3+])C1 ZINC001255423945 846307001 /nfs/dbraw/zinc/30/70/01/846307001.db2.gz ONHOXUXXNODOKM-QGZVFWFLSA-N 2 0 363.499 -0.678 20 0 FBADRP COC[C@H](C)[NH2+]CCOCCOCCOCCOCCOCC[NH3+] ZINC001255562542 846313387 /nfs/dbraw/zinc/31/33/87/846313387.db2.gz YOYBHYPBQUQMGI-INIZCTEOSA-N 2 0 352.472 -0.347 20 0 FBADRP COC[C@@H](C)[NH2+]CCOCCOCCOCCOCCOCC[NH3+] ZINC001255562543 846313244 /nfs/dbraw/zinc/31/32/44/846313244.db2.gz YOYBHYPBQUQMGI-MRXNPFEDSA-N 2 0 352.472 -0.347 20 0 FBADRP C[NH+]1CC2(C1)CCN(C(=O)COCC(=O)N1CCC3(C[NH+](C)C3)C1)C2 ZINC001256279379 846334817 /nfs/dbraw/zinc/33/48/17/846334817.db2.gz OAHHEPCUBIAZRH-UHFFFAOYSA-N 2 0 350.463 -0.669 20 0 FBADRP [NH3+]CCCOCCOCCOCCC[NH2+]C1CCS(=O)(=O)CC1 ZINC001256377338 846336879 /nfs/dbraw/zinc/33/68/79/846336879.db2.gz SHEJKMZWLYPVMI-UHFFFAOYSA-N 2 0 352.497 -0.058 20 0 FBADRP [NH3+]CCOCCOCCOCCOCC[NH2+]C1CCS(=O)(=O)CC1 ZINC001256380471 846338463 /nfs/dbraw/zinc/33/84/63/846338463.db2.gz QQKLRSJDOJXLIP-UHFFFAOYSA-N 2 0 368.496 -0.822 20 0 FBADRP CCn1cc(CNC(=O)NCCN(C)CCC[NH+](C)C)c(=O)[nH]c1=O ZINC001256556478 846343187 /nfs/dbraw/zinc/34/31/87/846343187.db2.gz CPJPGOGDBOGELF-UHFFFAOYSA-N 2 0 354.455 -0.349 20 0 FBADRP CS(=O)(=O)N1CCN(CC[NH2+]C2CCC([NH+]3CCOCC3)CC2)CC1 ZINC001256681853 846347911 /nfs/dbraw/zinc/34/79/11/846347911.db2.gz DOCSWOJZVMYFJD-UHFFFAOYSA-N 2 0 374.551 -0.203 20 0 FBADRP CCN1CC[NH+](CCCCNC(=O)C(=O)NC2CC[NH+](C)CC2)CC1 ZINC001256862455 846353453 /nfs/dbraw/zinc/35/34/53/846353453.db2.gz DUUDQRWIDOSSIA-UHFFFAOYSA-N 2 0 353.511 -0.269 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC001257150807 846364611 /nfs/dbraw/zinc/36/46/11/846364611.db2.gz NGVBNXPVVGISBX-INIZCTEOSA-N 2 0 351.495 -0.661 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC001257150810 846365471 /nfs/dbraw/zinc/36/54/71/846365471.db2.gz NGVBNXPVVGISBX-MRXNPFEDSA-N 2 0 351.495 -0.661 20 0 FBADRP CC(C)[NH+]1CCC(NCC(=O)N2CCC[C@H]2C(=O)NCC(N)=O)CC1 ZINC001257213172 846367045 /nfs/dbraw/zinc/36/70/45/846367045.db2.gz HKGZOQFKNFCSTP-AWEZNQCLSA-N 2 0 353.467 -0.959 20 0 FBADRP C[NH+](C)CC(=O)N[C@H]1CC[C@H]([NH2+]C2CCN(S(C)(=O)=O)CC2)CC1 ZINC001257230262 846368316 /nfs/dbraw/zinc/36/83/16/846368316.db2.gz KACBUMLABOAMKP-HDJSIYSDSA-N 2 0 360.524 -0.011 20 0 FBADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]CCN(CC[NH3+])N(O)N=O)C[C@H]1C(=O)OC ZINC001257725926 846386366 /nfs/dbraw/zinc/38/63/66/846386366.db2.gz GQIIAXBQNOVSKY-IJLUTSLNSA-N 2 0 361.399 -0.745 20 0 FBADRP COC(=O)[C@@H]1CC[C@H]([NH2+]CCN(CC[NH3+])N(O)N=O)C[C@H]1C(=O)OC ZINC001257725930 846386243 /nfs/dbraw/zinc/38/62/43/846386243.db2.gz GQIIAXBQNOVSKY-QJPTWQEYSA-N 2 0 361.399 -0.745 20 0 FBADRP COC(=O)CCS(=O)(=O)CC[C@H](C)[NH2+]CCCN1CC[NH+](C)CC1 ZINC001257914685 846391216 /nfs/dbraw/zinc/39/12/16/846391216.db2.gz YWEQKGMJYPVYGS-HNNXBMFYSA-N 2 0 363.524 -0.030 20 0 FBADRP COC(=O)CCS(=O)(=O)CC[C@@H](C)[NH2+]CCCN1CC[NH+](C)CC1 ZINC001257914686 846390665 /nfs/dbraw/zinc/39/06/65/846390665.db2.gz YWEQKGMJYPVYGS-OAHLLOKOSA-N 2 0 363.524 -0.030 20 0 FBADRP COC(=O)CCS(=O)(=O)CC[C@H](C)[NH2+]CCN1CCC[N@H+](C)CC1 ZINC001257922391 846391911 /nfs/dbraw/zinc/39/19/11/846391911.db2.gz FJUHRJOBJSYTKL-HNNXBMFYSA-N 2 0 363.524 -0.030 20 0 FBADRP COC(=O)CCS(=O)(=O)CC[C@@H](C)[NH2+]CCN1CCC[N@H+](C)CC1 ZINC001257922392 846391636 /nfs/dbraw/zinc/39/16/36/846391636.db2.gz FJUHRJOBJSYTKL-OAHLLOKOSA-N 2 0 363.524 -0.030 20 0 FBADRP COC(=O)CC[C@H](C)[NH2+]CCOCCOCCOCCOCC[NH3+] ZINC001258357482 846411320 /nfs/dbraw/zinc/41/13/20/846411320.db2.gz HWQHYOQXNZIQQN-HNNXBMFYSA-N 2 0 350.456 -0.057 20 0 FBADRP COC(=O)CC[C@@H](C)[NH2+]CCOCCOCCOCCOCC[NH3+] ZINC001258357489 846411574 /nfs/dbraw/zinc/41/15/74/846411574.db2.gz HWQHYOQXNZIQQN-OAHLLOKOSA-N 2 0 350.456 -0.057 20 0 FBADRP CCC[NH+]1CCC([NH2+]CCNC(=O)Cn2cc(C)c(=O)[nH]c2=O)CC1 ZINC001258769603 846422616 /nfs/dbraw/zinc/42/26/16/846422616.db2.gz XMXHFKYQMYERHM-UHFFFAOYSA-N 2 0 351.451 -0.162 20 0 FBADRP CCOC(=O)CNC(=O)CNC(=O)C[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC001258900850 846423728 /nfs/dbraw/zinc/42/37/28/846423728.db2.gz DHUCWRJUBPNHJB-AWEZNQCLSA-N 2 0 358.483 -0.118 20 0 FBADRP CCOC(=O)CNC(=O)CNC(=O)C[NH2+][C@H](C)CCC[NH+](CC)CC ZINC001258900851 846423800 /nfs/dbraw/zinc/42/38/00/846423800.db2.gz DHUCWRJUBPNHJB-CQSZACIVSA-N 2 0 358.483 -0.118 20 0 FBADRP CCC[C@@]1(CO)CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC001261321203 846522404 /nfs/dbraw/zinc/52/24/04/846522404.db2.gz WYLREFVUEWFYLT-GOSISDBHSA-N 2 0 356.511 -0.051 20 0 FBADRP CCC[C@]1(CO)CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC001261321204 846522592 /nfs/dbraw/zinc/52/25/92/846522592.db2.gz WYLREFVUEWFYLT-SFHVURJKSA-N 2 0 356.511 -0.051 20 0 FBADRP CNC(=O)COc1cccc(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)c1 ZINC001261436290 846532601 /nfs/dbraw/zinc/53/26/01/846532601.db2.gz WYHXHDCITLYPLA-INIZCTEOSA-N 2 0 350.463 -0.491 20 0 FBADRP CNC(=O)COc1cccc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)c1 ZINC001261436291 846533000 /nfs/dbraw/zinc/53/30/00/846533000.db2.gz WYHXHDCITLYPLA-MRXNPFEDSA-N 2 0 350.463 -0.491 20 0 FBADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]C2CCC3(CC2)NC(=O)NC3=O)C1 ZINC001261481724 846544091 /nfs/dbraw/zinc/54/40/91/846544091.db2.gz MDZOLKRZKOZTRY-POZPTJLLSA-N 2 0 351.451 -0.316 20 0 FBADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]C2CCC3(CC2)NC(=O)NC3=O)C1 ZINC001261481725 846544120 /nfs/dbraw/zinc/54/41/20/846544120.db2.gz MDZOLKRZKOZTRY-SFYCDEOASA-N 2 0 351.451 -0.316 20 0 FBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC001261488637 846548125 /nfs/dbraw/zinc/54/81/25/846548125.db2.gz VOWXJGOFZIFYBG-KBPBESRZSA-N 2 0 353.511 -0.097 20 0 FBADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC001261488638 846547671 /nfs/dbraw/zinc/54/76/71/846547671.db2.gz VOWXJGOFZIFYBG-KGLIPLIRSA-N 2 0 353.511 -0.097 20 0 FBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC001261488639 846547857 /nfs/dbraw/zinc/54/78/57/846547857.db2.gz VOWXJGOFZIFYBG-UONOGXRCSA-N 2 0 353.511 -0.097 20 0 FBADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC001261488640 846547886 /nfs/dbraw/zinc/54/78/86/846547886.db2.gz VOWXJGOFZIFYBG-ZIAGYGMSSA-N 2 0 353.511 -0.097 20 0 FBADRP O=C1N[C@H]2C[N@H+](CCCN3CCOCC3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC001261503061 846551166 /nfs/dbraw/zinc/55/11/66/846551166.db2.gz LAIREXUKNRBUHE-DLBZAZTESA-N 2 0 351.495 -0.071 20 0 FBADRP O=C1N[C@@H]2C[N@H+](CCCN3CCOCC3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC001261503062 846551251 /nfs/dbraw/zinc/55/12/51/846551251.db2.gz LAIREXUKNRBUHE-IAGOWNOFSA-N 2 0 351.495 -0.071 20 0 FBADRP O=C1N[C@H]2C[N@H+](CCCN3CCOCC3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC001261503063 846551236 /nfs/dbraw/zinc/55/12/36/846551236.db2.gz LAIREXUKNRBUHE-IRXDYDNUSA-N 2 0 351.495 -0.071 20 0 FBADRP O=C1N[C@@H]2C[N@H+](CCCN3CCOCC3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC001261503064 846551189 /nfs/dbraw/zinc/55/11/89/846551189.db2.gz LAIREXUKNRBUHE-SJORKVTESA-N 2 0 351.495 -0.071 20 0 FBADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC001261560110 846567063 /nfs/dbraw/zinc/56/70/63/846567063.db2.gz ILDJOEIPDCJWPD-FZNQNYSPSA-N 2 0 353.511 -0.415 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](O)C(F)(F)C1 ZINC001261610812 846576078 /nfs/dbraw/zinc/57/60/78/846576078.db2.gz ARIUFWWZQIJBFD-GFCCVEGCSA-N 2 0 350.410 -0.833 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H](O)C(F)(F)C1 ZINC001261610813 846576090 /nfs/dbraw/zinc/57/60/90/846576090.db2.gz ARIUFWWZQIJBFD-LBPRGKRZSA-N 2 0 350.410 -0.833 20 0 FBADRP C[N@H+](CCCO)C1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC001261631727 846584596 /nfs/dbraw/zinc/58/45/96/846584596.db2.gz CUCJKSXNPDHTIG-UHFFFAOYSA-N 2 0 352.439 -0.371 20 0 FBADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC001261632438 846584307 /nfs/dbraw/zinc/58/43/07/846584307.db2.gz BGJPSWXCNBLTFB-CMPLNLGQSA-N 2 0 350.423 -0.754 20 0 FBADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC001261632439 846584259 /nfs/dbraw/zinc/58/42/59/846584259.db2.gz BGJPSWXCNBLTFB-JQWIXIFHSA-N 2 0 350.423 -0.754 20 0 FBADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC001261632440 846584748 /nfs/dbraw/zinc/58/47/48/846584748.db2.gz BGJPSWXCNBLTFB-PWSUYJOCSA-N 2 0 350.423 -0.754 20 0 FBADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC001261632441 846584651 /nfs/dbraw/zinc/58/46/51/846584651.db2.gz BGJPSWXCNBLTFB-ZYHUDNBSSA-N 2 0 350.423 -0.754 20 0 FBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC001261632627 846584279 /nfs/dbraw/zinc/58/42/79/846584279.db2.gz HUYCFZYJXNPUGT-UHFFFAOYSA-N 2 0 353.511 -0.143 20 0 FBADRP C[C@H](NC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)[C@H]1CCC[NH2+]C1 ZINC001261634133 846585495 /nfs/dbraw/zinc/58/54/95/846585495.db2.gz ZKVZIKPSLHPIFE-DZKIICNBSA-N 2 0 352.479 -0.140 20 0 FBADRP C[C@H](NC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC001261634134 846585524 /nfs/dbraw/zinc/58/55/24/846585524.db2.gz ZKVZIKPSLHPIFE-LZWOXQAQSA-N 2 0 352.479 -0.140 20 0 FBADRP C[C@H](NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)[C@H]1CCC[NH2+]C1 ZINC001261634135 846585624 /nfs/dbraw/zinc/58/56/24/846585624.db2.gz ZKVZIKPSLHPIFE-OFQRWUPVSA-N 2 0 352.479 -0.140 20 0 FBADRP C[C@H](NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC001261634136 846585815 /nfs/dbraw/zinc/58/58/15/846585815.db2.gz ZKVZIKPSLHPIFE-SQWLQELKSA-N 2 0 352.479 -0.140 20 0 FBADRP CC1(CNC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC[NH2+]CC1 ZINC001261634933 846585330 /nfs/dbraw/zinc/58/53/30/846585330.db2.gz QZUWXBVNFLKBHT-HNNXBMFYSA-N 2 0 352.479 -0.138 20 0 FBADRP CC1(CNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC[NH2+]CC1 ZINC001261634934 846585610 /nfs/dbraw/zinc/58/56/10/846585610.db2.gz QZUWXBVNFLKBHT-OAHLLOKOSA-N 2 0 352.479 -0.138 20 0 FBADRP O=C(NCC[C@@H]1CC[NH2+]C1)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001261818519 846625450 /nfs/dbraw/zinc/62/54/50/846625450.db2.gz ZYIKGQDXWHLWLT-CFVMTHIKSA-N 2 0 351.451 -0.047 20 0 FBADRP O=C(NCC[C@H]1CC[NH2+]C1)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001261818520 846625318 /nfs/dbraw/zinc/62/53/18/846625318.db2.gz ZYIKGQDXWHLWLT-YUELXQCFSA-N 2 0 351.451 -0.047 20 0 FBADRP COCC[NH2+]C1CCN(S(=O)(=O)CCCN2CC[NH+](C)CC2)CC1 ZINC001261853550 846636033 /nfs/dbraw/zinc/63/60/33/846636033.db2.gz KZLOTLZJYIIOKM-UHFFFAOYSA-N 2 0 362.540 -0.346 20 0 FBADRP C[C@@H](CN1CC[NH+](C)CC1)NS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC001261853933 846635808 /nfs/dbraw/zinc/63/58/08/846635808.db2.gz XDLNXCQMZFXTDB-INIZCTEOSA-N 2 0 361.556 -0.821 20 0 FBADRP C[C@H](CN1CC[NH+](C)CC1)NS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC001261853934 846636248 /nfs/dbraw/zinc/63/62/48/846636248.db2.gz XDLNXCQMZFXTDB-MRXNPFEDSA-N 2 0 361.556 -0.821 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@](F)(CO)C2)C[C@H]1C[NH+](C)C ZINC001261865620 846641009 /nfs/dbraw/zinc/64/10/09/846641009.db2.gz IJSJYROJHJZIOO-CKEIUWERSA-N 2 0 358.458 -0.883 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@@](F)(CO)C2)C[C@H]1C[NH+](C)C ZINC001261865621 846640844 /nfs/dbraw/zinc/64/08/44/846640844.db2.gz IJSJYROJHJZIOO-CPUCHLNUSA-N 2 0 358.458 -0.883 20 0 FBADRP CN(CC1C[NH+](C)C1)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001261868757 846643174 /nfs/dbraw/zinc/64/31/74/846643174.db2.gz VLEMQMIODMEGHK-HZPDHXFCSA-N 3 0 353.511 -0.796 20 0 FBADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001261875363 846645143 /nfs/dbraw/zinc/64/51/43/846645143.db2.gz DYCDXWOCYXZUET-INIZCTEOSA-N 2 0 351.495 -0.565 20 0 FBADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001261875364 846644947 /nfs/dbraw/zinc/64/49/47/846644947.db2.gz DYCDXWOCYXZUET-MRXNPFEDSA-N 2 0 351.495 -0.565 20 0 FBADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC001261875365 846645079 /nfs/dbraw/zinc/64/50/79/846645079.db2.gz DZPNAUOUURKHTD-ARFHVFGLSA-N 3 0 353.511 -0.748 20 0 FBADRP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC001261875366 846645083 /nfs/dbraw/zinc/64/50/83/846645083.db2.gz DZPNAUOUURKHTD-BZUAXINKSA-N 3 0 353.511 -0.748 20 0 FBADRP CN1CC[NH+](C2CCN(C(=O)C(=O)N3CC[NH2+]C(C)(C)C3)CC2)CC1 ZINC001261875640 846645060 /nfs/dbraw/zinc/64/50/60/846645060.db2.gz MRPISRYYJIIDNE-UHFFFAOYSA-N 2 0 351.495 -0.565 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)CC[C@@H]2CC[C@H](C(N)=O)O2)C[C@H]1C[NH+](C)C ZINC001261880426 846646221 /nfs/dbraw/zinc/64/62/21/846646221.db2.gz BOKDZKWNPZODNL-LVQVYYBASA-N 2 0 354.495 -0.003 20 0 FBADRP O=C(C[NH2+]C[C@H]1CCCO1)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001261892055 846647494 /nfs/dbraw/zinc/64/74/94/846647494.db2.gz XGTOJTBFRWHECI-KFWWJZLASA-N 2 0 352.435 -0.461 20 0 FBADRP O=C(C[NH2+]C[C@@H]1CCCO1)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001261892056 846647390 /nfs/dbraw/zinc/64/73/90/846647390.db2.gz XGTOJTBFRWHECI-ZNMIVQPWSA-N 2 0 352.435 -0.461 20 0 FBADRP Cc1nnc(CNC(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)s1 ZINC001261954155 846660886 /nfs/dbraw/zinc/66/08/86/846660886.db2.gz WDCPDIMALQQQIY-CHWSQXEVSA-N 2 0 368.507 -0.339 20 0 FBADRP C[C@@H](C[S@](C)=O)NC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001261967010 846661734 /nfs/dbraw/zinc/66/17/34/846661734.db2.gz XCXPTOLJNRLVIH-IXTLTBCSSA-N 2 0 360.524 -0.933 20 0 FBADRP C[C@H](C[S@](C)=O)NC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001261967011 846661857 /nfs/dbraw/zinc/66/18/57/846661857.db2.gz XCXPTOLJNRLVIH-LXFRCGMISA-N 2 0 360.524 -0.933 20 0 FBADRP C[C@@H](C[S@@](C)=O)NC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001261967012 846661288 /nfs/dbraw/zinc/66/12/88/846661288.db2.gz XCXPTOLJNRLVIH-NMIVXWCSSA-N 2 0 360.524 -0.933 20 0 FBADRP C[C@H](C[S@@](C)=O)NC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001261967013 846661664 /nfs/dbraw/zinc/66/16/64/846661664.db2.gz XCXPTOLJNRLVIH-QFVIIEBMSA-N 2 0 360.524 -0.933 20 0 FBADRP C[C@H](CO)CCCNC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001261970445 846661762 /nfs/dbraw/zinc/66/17/62/846661762.db2.gz WIRAYSVMZMFDFI-ARFHVFGLSA-N 2 0 356.511 -0.291 20 0 FBADRP C[C@@H](CO)CCCNC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001261970446 846661437 /nfs/dbraw/zinc/66/14/37/846661437.db2.gz WIRAYSVMZMFDFI-BZUAXINKSA-N 2 0 356.511 -0.291 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NCCOCC(F)F)C[C@H]1C[NH+](C)C ZINC001261972520 846662613 /nfs/dbraw/zinc/66/26/13/846662613.db2.gz PBYJOPHKLDXJFE-CHWSQXEVSA-N 2 0 364.437 -0.418 20 0 FBADRP CCO[C@H]1C[C@H](NC(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC001261979338 846663723 /nfs/dbraw/zinc/66/37/23/846663723.db2.gz FQCDEKNYJOPMSK-KLHDSHLOSA-N 2 0 354.495 -0.132 20 0 FBADRP CN(CCN1CC[NH2+]CC1)C(=O)c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F ZINC001262006237 846667779 /nfs/dbraw/zinc/66/77/79/846667779.db2.gz HJXMXUUXFDEVJJ-LLVKDONJSA-N 2 0 357.409 -0.273 20 0 FBADRP CN(CCN1CC[NH2+]CC1)C(=O)c1nnn([C@H]2CC[NH2+]C2)c1C(F)F ZINC001262006238 846667795 /nfs/dbraw/zinc/66/77/95/846667795.db2.gz HJXMXUUXFDEVJJ-NSHDSACASA-N 2 0 357.409 -0.273 20 0 FBADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C3([S@](C)=O)CC[NH2+]CC3)C2)CC1 ZINC001262007321 846667975 /nfs/dbraw/zinc/66/79/75/846667975.db2.gz BHHLFPXDDOIAIO-BSEYFRJRSA-N 2 0 356.536 -0.228 20 0 FBADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C3([S@@](C)=O)CC[NH2+]CC3)C2)CC1 ZINC001262007322 846667816 /nfs/dbraw/zinc/66/78/16/846667816.db2.gz BHHLFPXDDOIAIO-JBEBIEQOSA-N 2 0 356.536 -0.228 20 0 FBADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C3([S@@](C)=O)CC[NH2+]CC3)C2)CC1 ZINC001262007323 846667736 /nfs/dbraw/zinc/66/77/36/846667736.db2.gz BHHLFPXDDOIAIO-LFPIHBKWSA-N 2 0 356.536 -0.228 20 0 FBADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C3([S@](C)=O)CC[NH2+]CC3)C2)CC1 ZINC001262007324 846667890 /nfs/dbraw/zinc/66/78/90/846667890.db2.gz BHHLFPXDDOIAIO-SHACYNPGSA-N 2 0 356.536 -0.228 20 0 FBADRP C[NH+]1CCC(NC(=O)CN2CCC(O)(C[NH+]3CCOCC3)CC2)CC1 ZINC001262013897 846668660 /nfs/dbraw/zinc/66/86/60/846668660.db2.gz QLRNTTLLSOFHMB-UHFFFAOYSA-N 2 0 354.495 -0.644 20 0 FBADRP C[NH+]1CCN(CCCS(=O)(=O)N2CCc3sc(C[NH3+])nc3C2)CC1 ZINC001262032328 846671920 /nfs/dbraw/zinc/67/19/20/846671920.db2.gz QDESGECUJKXVBE-UHFFFAOYSA-N 2 0 373.548 -0.073 20 0 FBADRP CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC001262059476 846673076 /nfs/dbraw/zinc/67/30/76/846673076.db2.gz ACIFYDJSNFZYRR-HNNXBMFYSA-N 2 0 352.479 -0.138 20 0 FBADRP CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC001262059477 846673507 /nfs/dbraw/zinc/67/35/07/846673507.db2.gz ACIFYDJSNFZYRR-OAHLLOKOSA-N 2 0 352.479 -0.138 20 0 FBADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC001262074986 846675089 /nfs/dbraw/zinc/67/50/89/846675089.db2.gz HFODJXMTRUYTHE-BZUAXINKSA-N 2 0 352.479 -0.057 20 0 FBADRP [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC001262074987 846674904 /nfs/dbraw/zinc/67/49/04/846674904.db2.gz HFODJXMTRUYTHE-OAGGEKHMSA-N 2 0 352.479 -0.057 20 0 FBADRP [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC001262074988 846675517 /nfs/dbraw/zinc/67/55/17/846675517.db2.gz HFODJXMTRUYTHE-OWCLPIDISA-N 2 0 352.479 -0.057 20 0 FBADRP [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC001262074989 846675190 /nfs/dbraw/zinc/67/51/90/846675190.db2.gz HFODJXMTRUYTHE-PMPSAXMXSA-N 2 0 352.479 -0.057 20 0 FBADRP [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC001262075670 846674881 /nfs/dbraw/zinc/67/48/81/846674881.db2.gz ZXUWDNSQLLGINQ-CVEARBPZSA-N 2 0 352.479 -0.057 20 0 FBADRP [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC001262075671 846675438 /nfs/dbraw/zinc/67/54/38/846675438.db2.gz ZXUWDNSQLLGINQ-HOTGVXAUSA-N 2 0 352.479 -0.057 20 0 FBADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC001262075672 846674971 /nfs/dbraw/zinc/67/49/71/846674971.db2.gz ZXUWDNSQLLGINQ-HZPDHXFCSA-N 2 0 352.479 -0.057 20 0 FBADRP [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC001262075673 846675353 /nfs/dbraw/zinc/67/53/53/846675353.db2.gz ZXUWDNSQLLGINQ-JKSUJKDBSA-N 2 0 352.479 -0.057 20 0 FBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C2C[NH+]([C@H]3CCOC3)C2)CC1 ZINC001262114891 846676201 /nfs/dbraw/zinc/67/62/01/846676201.db2.gz JRCGKCSKUMFXPD-INIZCTEOSA-N 2 0 352.479 -0.234 20 0 FBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC1 ZINC001262114892 846676690 /nfs/dbraw/zinc/67/66/90/846676690.db2.gz JRCGKCSKUMFXPD-MRXNPFEDSA-N 2 0 352.479 -0.234 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N(C)CCCN2CC[NH+](C)CC2)C[C@H]1CC[NH3+] ZINC001262161810 846681546 /nfs/dbraw/zinc/68/15/46/846681546.db2.gz VCYUKAWIKXUCHR-HZPDHXFCSA-N 2 0 353.511 -0.474 20 0 FBADRP CS(=O)(=O)c1ccc(F)c(NC(=O)CN2CCNCC[NH2+]CC2)c1 ZINC001262195331 846685463 /nfs/dbraw/zinc/68/54/63/846685463.db2.gz XGKVUVLRLHJOAL-UHFFFAOYSA-N 2 0 358.439 -0.338 20 0 FBADRP C[NH+]1CCN(Cc2cccc(CNS(=O)(=O)N3CC[NH2+]CC3)c2)CC1 ZINC001262195720 846685517 /nfs/dbraw/zinc/68/55/17/846685517.db2.gz JUZRAWUHQFAYTI-UHFFFAOYSA-N 2 0 367.519 -0.326 20 0 FBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001262202876 846686626 /nfs/dbraw/zinc/68/66/26/846686626.db2.gz FRGZVNQNTRZVPH-JKSUJKDBSA-N 2 0 351.495 -0.850 20 0 FBADRP C[NH+](C)C1(CNC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CCC1 ZINC001262255519 846693914 /nfs/dbraw/zinc/69/39/14/846693914.db2.gz QRANQGBHJOPWFT-CABCVRRESA-N 2 0 352.479 -0.356 20 0 FBADRP C[NH+](C)C1(CNC(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)CCC1 ZINC001262255520 846694205 /nfs/dbraw/zinc/69/42/05/846694205.db2.gz QRANQGBHJOPWFT-GJZGRUSLSA-N 2 0 352.479 -0.356 20 0 FBADRP C[NH+](C)C1(CNC(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)CCC1 ZINC001262255521 846694381 /nfs/dbraw/zinc/69/43/81/846694381.db2.gz QRANQGBHJOPWFT-HUUCEWRRSA-N 2 0 352.479 -0.356 20 0 FBADRP C[NH+](C)C1(CNC(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)CCC1 ZINC001262255522 846694140 /nfs/dbraw/zinc/69/41/40/846694140.db2.gz QRANQGBHJOPWFT-LSDHHAIUSA-N 2 0 352.479 -0.356 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N[C@@H]2COC(C)(C)C2)C[C@H]1C[NH+](C)C ZINC001262333396 846704202 /nfs/dbraw/zinc/70/42/02/846704202.db2.gz CBSOKHDMCHZOJE-KFWWJZLASA-N 2 0 354.495 -0.132 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N[C@H]2COC(C)(C)C2)C[C@H]1C[NH+](C)C ZINC001262333397 846704185 /nfs/dbraw/zinc/70/41/85/846704185.db2.gz CBSOKHDMCHZOJE-RBSFLKMASA-N 2 0 354.495 -0.132 20 0 FBADRP C[NH+]1CCC(C(=O)NCCOCCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001262342869 846704914 /nfs/dbraw/zinc/70/49/14/846704914.db2.gz DKJZPFLTQUKQDL-UHFFFAOYSA-N 2 0 354.495 -0.081 20 0 FBADRP Cn1nnnc1CCCNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001262378573 846706530 /nfs/dbraw/zinc/70/65/30/846706530.db2.gz GCJQUBDAZJCCHX-ZIAGYGMSSA-N 2 0 352.487 -0.477 20 0 FBADRP C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@]([NH3+])(CO)C3)C[C@H]2C1 ZINC001262489212 846719190 /nfs/dbraw/zinc/71/91/90/846719190.db2.gz UCNATFYQCQNTIW-ADAWSYLGSA-N 2 0 352.479 -0.513 20 0 FBADRP C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@]([NH3+])(CO)C3)C[C@H]2C1 ZINC001262489213 846718766 /nfs/dbraw/zinc/71/87/66/846718766.db2.gz UCNATFYQCQNTIW-ATNYBXOESA-N 2 0 352.479 -0.513 20 0 FBADRP C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@]([NH3+])(CO)C3)C[C@@H]2C1 ZINC001262489214 846718699 /nfs/dbraw/zinc/71/86/99/846718699.db2.gz UCNATFYQCQNTIW-BASYENTBSA-N 2 0 352.479 -0.513 20 0 FBADRP C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@]([NH3+])(CO)C3)C[C@@H]2C1 ZINC001262489215 846719049 /nfs/dbraw/zinc/71/90/49/846719049.db2.gz UCNATFYQCQNTIW-FSZRXZPDSA-N 2 0 352.479 -0.513 20 0 FBADRP C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)C(=O)N3CCNCC[NH2+]CC3)C[C@H]2C1 ZINC001262489244 846719181 /nfs/dbraw/zinc/71/91/81/846719181.db2.gz URGOYFXRBGWAEL-ARFHVFGLSA-N 2 0 351.495 -0.804 20 0 FBADRP C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)C(=O)N3CCNCC[NH2+]CC3)C[C@H]2C1 ZINC001262489245 846719137 /nfs/dbraw/zinc/71/91/37/846719137.db2.gz URGOYFXRBGWAEL-BZUAXINKSA-N 2 0 351.495 -0.804 20 0 FBADRP C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)C(=O)N3CCNCC[NH2+]CC3)C[C@@H]2C1 ZINC001262489246 846718925 /nfs/dbraw/zinc/71/89/25/846718925.db2.gz URGOYFXRBGWAEL-HRCADAONSA-N 2 0 351.495 -0.804 20 0 FBADRP C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)C(=O)N3CCNCC[NH2+]CC3)C[C@@H]2C1 ZINC001262489247 846719127 /nfs/dbraw/zinc/71/91/27/846719127.db2.gz URGOYFXRBGWAEL-OWCLPIDISA-N 2 0 351.495 -0.804 20 0 FBADRP C[NH+]1CCC(C[NH2+]C[C@H](O)C2(O)CCOCC2)(N2CCOCC2)CC1 ZINC001262490547 846719983 /nfs/dbraw/zinc/71/99/83/846719983.db2.gz YOYJEVLBWLOKKI-INIZCTEOSA-N 2 0 357.495 -0.725 20 0 FBADRP C[NH+]1CCC(C[NH2+]C[C@@H](O)C2(O)CCOCC2)(N2CCOCC2)CC1 ZINC001262490548 846719792 /nfs/dbraw/zinc/71/97/92/846719792.db2.gz YOYJEVLBWLOKKI-MRXNPFEDSA-N 2 0 357.495 -0.725 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H](C2OCCO2)C1 ZINC001262511305 846724846 /nfs/dbraw/zinc/72/48/46/846724846.db2.gz JLBXHUNUBRJQAO-AWEZNQCLSA-N 2 0 356.467 -0.840 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](C2OCCO2)C1 ZINC001262511306 846724952 /nfs/dbraw/zinc/72/49/52/846724952.db2.gz JLBXHUNUBRJQAO-CQSZACIVSA-N 2 0 356.467 -0.840 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](O)[C@@H](F)C2)C[C@H]1C[NH+](C)C ZINC001262528222 846730094 /nfs/dbraw/zinc/73/00/94/846730094.db2.gz AMYFGUZJDKYOBT-APIJFGDWSA-N 2 0 358.458 -0.885 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](O)[C@H](F)C2)C[C@H]1C[NH+](C)C ZINC001262528223 846730569 /nfs/dbraw/zinc/73/05/69/846730569.db2.gz AMYFGUZJDKYOBT-KBUPBQIOSA-N 2 0 358.458 -0.885 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](O)[C@@H](F)C2)C[C@H]1C[NH+](C)C ZINC001262528224 846730067 /nfs/dbraw/zinc/73/00/67/846730067.db2.gz AMYFGUZJDKYOBT-KBXIAJHMSA-N 2 0 358.458 -0.885 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](O)[C@H](F)C2)C[C@H]1C[NH+](C)C ZINC001262528225 846730545 /nfs/dbraw/zinc/73/05/45/846730545.db2.gz AMYFGUZJDKYOBT-TUVASFSCSA-N 2 0 358.458 -0.885 20 0 FBADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC1 ZINC001262544202 846735849 /nfs/dbraw/zinc/73/58/49/846735849.db2.gz WGHNYKHHBUKBOV-ARFHVFGLSA-N 2 0 351.495 -0.471 20 0 FBADRP CN(C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1)C1(C[NH3+])CCOCC1 ZINC001262545116 846735419 /nfs/dbraw/zinc/73/54/19/846735419.db2.gz RFMKTFPRHCEVDA-UHFFFAOYSA-N 2 0 352.479 -0.057 20 0 FBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CC[NH2+]CCC23CCOCC3)C1 ZINC001262546965 846735897 /nfs/dbraw/zinc/73/58/97/846735897.db2.gz LUMVRHMQUBIXBK-GASCZTMLSA-N 2 0 352.479 -0.186 20 0 FBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH2+][C@@H]([C@@H]3CCCO3)C2)C1 ZINC001262553797 846737739 /nfs/dbraw/zinc/73/77/39/846737739.db2.gz KXMHTCOKQLHJFT-FPCVCCKLSA-N 2 0 352.479 -0.153 20 0 FBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH2+][C@@H]([C@H]3CCCO3)C2)C1 ZINC001262553798 846737729 /nfs/dbraw/zinc/73/77/29/846737729.db2.gz KXMHTCOKQLHJFT-KLHDSHLOSA-N 2 0 352.479 -0.153 20 0 FBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH2+][C@H]([C@H]3CCCO3)C2)C1 ZINC001262553799 846738163 /nfs/dbraw/zinc/73/81/63/846738163.db2.gz KXMHTCOKQLHJFT-LVQVYYBASA-N 2 0 352.479 -0.153 20 0 FBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH2+][C@H]([C@@H]3CCCO3)C2)C1 ZINC001262553800 846738170 /nfs/dbraw/zinc/73/81/70/846738170.db2.gz KXMHTCOKQLHJFT-WCVJEAGWSA-N 2 0 352.479 -0.153 20 0 FBADRP CCS(=O)(=O)NCCNC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001262562118 846738969 /nfs/dbraw/zinc/73/89/69/846738969.db2.gz POJAFSGOQSYZRC-GASCZTMLSA-N 2 0 373.523 -0.464 20 0 FBADRP CN1CCC([NH+]2CCC(NC(=O)N3CCNCC[NH2+]CC3)CC2)CC1 ZINC001262568513 846739591 /nfs/dbraw/zinc/73/95/91/846739591.db2.gz YIQNZJUYPPFNRR-UHFFFAOYSA-N 2 0 352.527 -0.251 20 0 FBADRP CN(C)C(=O)CN1CCC(NC(=O)N(C)C2(C[NH3+])CCOCC2)CC1 ZINC001262572622 846739686 /nfs/dbraw/zinc/73/96/86/846739686.db2.gz ZRBSMOYFMJCHDP-UHFFFAOYSA-N 2 0 355.483 -0.312 20 0 FBADRP COC[C@@H]1C[NH2+]CCN1C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001262572920 846739092 /nfs/dbraw/zinc/73/90/92/846739092.db2.gz ICTDIUOMEREQTE-CVEARBPZSA-N 2 0 355.483 -0.977 20 0 FBADRP COC[C@@H]1C[NH2+]CCN1C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001262572921 846739004 /nfs/dbraw/zinc/73/90/04/846739004.db2.gz ICTDIUOMEREQTE-HOTGVXAUSA-N 2 0 355.483 -0.977 20 0 FBADRP COC[C@H]1C[NH2+]CCN1C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001262572922 846738937 /nfs/dbraw/zinc/73/89/37/846738937.db2.gz ICTDIUOMEREQTE-HZPDHXFCSA-N 2 0 355.483 -0.977 20 0 FBADRP COC[C@H]1C[NH2+]CCN1C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001262572923 846739213 /nfs/dbraw/zinc/73/92/13/846739213.db2.gz ICTDIUOMEREQTE-JKSUJKDBSA-N 2 0 355.483 -0.977 20 0 FBADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001262573496 846739162 /nfs/dbraw/zinc/73/91/62/846739162.db2.gz WVFOVDLRAIEZHT-BRWVUGGUSA-N 2 0 353.511 -0.062 20 0 FBADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001262573497 846739316 /nfs/dbraw/zinc/73/93/16/846739316.db2.gz WVFOVDLRAIEZHT-ZACQAIPSSA-N 2 0 353.511 -0.062 20 0 FBADRP COCC[N@@H+]1CC[C@@H](NC(=O)N2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)C1 ZINC001262574524 846739128 /nfs/dbraw/zinc/73/91/28/846739128.db2.gz UQRMHXDXAJSURM-CFAJVAMVSA-N 2 0 354.451 -0.371 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)N2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)C1 ZINC001262574525 846738986 /nfs/dbraw/zinc/73/89/86/846738986.db2.gz UQRMHXDXAJSURM-LOUJCGABSA-N 2 0 354.451 -0.371 20 0 FBADRP O=C(NCCN1CC[NH2+]CC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001262583526 846740767 /nfs/dbraw/zinc/74/07/67/846740767.db2.gz AFHLQNGGMWRSIG-CALCHBBNSA-N 2 0 350.511 -0.498 20 0 FBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC001262586209 846740375 /nfs/dbraw/zinc/74/03/75/846740375.db2.gz XFTPJXGMDQONHV-CHWSQXEVSA-N 2 0 367.416 -0.158 20 0 FBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC001262586210 846740792 /nfs/dbraw/zinc/74/07/92/846740792.db2.gz XFTPJXGMDQONHV-OLZOCXBDSA-N 2 0 367.416 -0.158 20 0 FBADRP COCC[C@H]1C[NH2+]CCN1C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC001262586211 846740855 /nfs/dbraw/zinc/74/08/55/846740855.db2.gz XFTPJXGMDQONHV-QWHCGFSZSA-N 2 0 367.416 -0.158 20 0 FBADRP COCC[C@H]1C[NH2+]CCN1C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC001262586212 846740276 /nfs/dbraw/zinc/74/02/76/846740276.db2.gz XFTPJXGMDQONHV-STQMWFEESA-N 2 0 367.416 -0.158 20 0 FBADRP O=C(NCCN1CCNC1=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001262589513 846741953 /nfs/dbraw/zinc/74/19/53/846741953.db2.gz KRRBNPNAVUNYRG-GASCZTMLSA-N 2 0 350.467 -0.378 20 0 FBADRP O=C(N[C@H]1C[NH2+]CC2(CCOCC2)C1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001262591424 846741430 /nfs/dbraw/zinc/74/14/30/846741430.db2.gz NWJLPVYDFDQPFC-CVEARBPZSA-N 2 0 351.495 -0.166 20 0 FBADRP O=C(N[C@@H]1C[NH2+]CC2(CCOCC2)C1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001262591425 846741576 /nfs/dbraw/zinc/74/15/76/846741576.db2.gz NWJLPVYDFDQPFC-HOTGVXAUSA-N 2 0 351.495 -0.166 20 0 FBADRP O=C(N[C@H]1C[NH2+]CC2(CCOCC2)C1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001262591426 846741910 /nfs/dbraw/zinc/74/19/10/846741910.db2.gz NWJLPVYDFDQPFC-HZPDHXFCSA-N 2 0 351.495 -0.166 20 0 FBADRP O=C(N[C@@H]1C[NH2+]CC2(CCOCC2)C1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001262591427 846741633 /nfs/dbraw/zinc/74/16/33/846741633.db2.gz NWJLPVYDFDQPFC-JKSUJKDBSA-N 2 0 351.495 -0.166 20 0 FBADRP COCCN(CC[NH+](C)C)C(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001262594004 846742724 /nfs/dbraw/zinc/74/27/24/846742724.db2.gz HXDQWCDRGDFKCD-AWEZNQCLSA-N 2 0 356.467 -0.109 20 0 FBADRP COCCN(CC[NH+](C)C)C(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001262594005 846742748 /nfs/dbraw/zinc/74/27/48/846742748.db2.gz HXDQWCDRGDFKCD-CQSZACIVSA-N 2 0 356.467 -0.109 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C[NH+]2CCC(CO)CC2)CC1 ZINC001262607944 846742869 /nfs/dbraw/zinc/74/28/69/846742869.db2.gz SCIWUXUZHGZVSV-UHFFFAOYSA-N 2 0 354.495 -0.297 20 0 FBADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)NCC1CC[NH+](CCN(C)C)CC1 ZINC001263097332 846754909 /nfs/dbraw/zinc/75/49/09/846754909.db2.gz SGECCQTZACRTHF-KRWDZBQOSA-N 2 0 355.527 -0.134 20 0 FBADRP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)NCC1CC[NH+](CCN(C)C)CC1 ZINC001263097333 846754846 /nfs/dbraw/zinc/75/48/46/846754846.db2.gz SGECCQTZACRTHF-QGZVFWFLSA-N 2 0 355.527 -0.134 20 0 FBADRP O=C(NCC1([NH+]2CCCC2)CCOCC1)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001263099974 846754782 /nfs/dbraw/zinc/75/47/82/846754782.db2.gz ZVPCXQOCELCDOF-AWEZNQCLSA-N 2 0 350.463 -0.432 20 0 FBADRP O=C(NCC1([NH+]2CCCC2)CCOCC1)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001263099975 846755024 /nfs/dbraw/zinc/75/50/24/846755024.db2.gz ZVPCXQOCELCDOF-CQSZACIVSA-N 2 0 350.463 -0.432 20 0 FBADRP O=C(N1CC[C@H](C[NH+]2CCCCC2)C1)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2 ZINC001263102086 846754872 /nfs/dbraw/zinc/75/48/72/846754872.db2.gz KHMQYAFRBCDAEZ-VYDXJSESSA-N 2 0 355.504 -0.045 20 0 FBADRP O=C(N1CC[C@@H](C[NH+]2CCCCC2)C1)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2 ZINC001263102087 846754863 /nfs/dbraw/zinc/75/48/63/846754863.db2.gz KHMQYAFRBCDAEZ-ZOBUZTSGSA-N 2 0 355.504 -0.045 20 0 FBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)C1 ZINC001263102491 846756245 /nfs/dbraw/zinc/75/62/45/846756245.db2.gz WNWPGQYHBZVGLZ-GDBMZVCRSA-N 2 0 352.479 -0.234 20 0 FBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)C1 ZINC001263102492 846755915 /nfs/dbraw/zinc/75/59/15/846755915.db2.gz WNWPGQYHBZVGLZ-GOEBONIOSA-N 2 0 352.479 -0.234 20 0 FBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)C1 ZINC001263102493 846756476 /nfs/dbraw/zinc/75/64/76/846756476.db2.gz WNWPGQYHBZVGLZ-HOCLYGCPSA-N 2 0 352.479 -0.234 20 0 FBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)C1 ZINC001263102494 846756232 /nfs/dbraw/zinc/75/62/32/846756232.db2.gz WNWPGQYHBZVGLZ-ZBFHGGJFSA-N 2 0 352.479 -0.234 20 0 FBADRP O=C(N1CCN(c2cc[nH+]cc2)CC1)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2 ZINC001263102725 846756691 /nfs/dbraw/zinc/75/66/91/846756691.db2.gz CCRAUJWPCSNGFD-BBRMVZONSA-N 2 0 350.444 -0.636 20 0 FBADRP CC(C)(O)[C@H]([NH3+])C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC001263107976 846756298 /nfs/dbraw/zinc/75/62/98/846756298.db2.gz LEJLIPCXDKMOAR-OAHLLOKOSA-N 2 0 354.495 -0.075 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2COC3(C[NH2+]C3)C2)CC1=O ZINC001263156244 846758603 /nfs/dbraw/zinc/75/86/03/846758603.db2.gz QPIXXDMHQROLCD-QLFBSQMISA-N 2 0 350.463 -0.434 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2COC3(C[NH2+]C3)C2)CC1=O ZINC001263156245 846759007 /nfs/dbraw/zinc/75/90/07/846759007.db2.gz QPIXXDMHQROLCD-RBSFLKMASA-N 2 0 350.463 -0.434 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H]2COC3(C[NH2+]C3)C2)CC1=O ZINC001263156246 846759021 /nfs/dbraw/zinc/75/90/21/846759021.db2.gz QPIXXDMHQROLCD-RRFJBIMHSA-N 2 0 350.463 -0.434 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2COC3(C[NH2+]C3)C2)CC1=O ZINC001263156247 846759037 /nfs/dbraw/zinc/75/90/37/846759037.db2.gz QPIXXDMHQROLCD-SOUVJXGZSA-N 2 0 350.463 -0.434 20 0 FBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@]23C[NH2+]C[C@H]2CCOC3)CC1 ZINC001263161422 846758695 /nfs/dbraw/zinc/75/86/95/846758695.db2.gz FXWMJCUXYIDFCV-KDOFPFPSSA-N 2 0 352.479 -0.281 20 0 FBADRP [NH3+]Cc1nc(CC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)cs1 ZINC001263164885 846758753 /nfs/dbraw/zinc/75/87/53/846758753.db2.gz KHKBURQYIKVIFN-UHFFFAOYSA-N 2 0 352.464 -0.686 20 0 FBADRP O=C(C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@@H]12)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC001263165503 846758927 /nfs/dbraw/zinc/75/89/27/846758927.db2.gz FOKNJUYXXJYSFI-DRRXZNNHSA-N 2 0 363.483 -0.119 20 0 FBADRP O=C(C[C@@H]1CS(=O)(=O)[C@H]2C[NH2+]C[C@H]21)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC001263165504 846758718 /nfs/dbraw/zinc/75/87/18/846758718.db2.gz FOKNJUYXXJYSFI-HMDCTGQHSA-N 2 0 363.483 -0.119 20 0 FBADRP O=C(C[C@@H]1CS(=O)(=O)[C@H]2C[NH2+]C[C@@H]21)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC001263165505 846758482 /nfs/dbraw/zinc/75/84/82/846758482.db2.gz FOKNJUYXXJYSFI-JJTUDDRGSA-N 2 0 363.483 -0.119 20 0 FBADRP O=C(C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@H]12)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC001263165506 846758914 /nfs/dbraw/zinc/75/89/14/846758914.db2.gz FOKNJUYXXJYSFI-ZHCJQAHYSA-N 2 0 363.483 -0.119 20 0 FBADRP CC1([NH+]2CCOCC2)CCN(C(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)CC1 ZINC001263166633 846758735 /nfs/dbraw/zinc/75/87/35/846758735.db2.gz MPPJHNMTWKXXKP-AWEZNQCLSA-N 2 0 350.463 -0.480 20 0 FBADRP CC1([NH+]2CCOCC2)CCN(C(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)CC1 ZINC001263166634 846758963 /nfs/dbraw/zinc/75/89/63/846758963.db2.gz MPPJHNMTWKXXKP-CQSZACIVSA-N 2 0 350.463 -0.480 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)C[C@H]1C[NH+](C)C ZINC001263171450 846759474 /nfs/dbraw/zinc/75/94/74/846759474.db2.gz RRQDYICUQCSGQQ-BZUAXINKSA-N 3 0 353.511 -0.619 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)C[C@H]1C[NH+](C)C ZINC001263171451 846760136 /nfs/dbraw/zinc/76/01/36/846760136.db2.gz RRQDYICUQCSGQQ-OAGGEKHMSA-N 3 0 353.511 -0.619 20 0 FBADRP C[NH+]1CCC(n2cc(NC(=O)[C@]34C[NH2+]C[C@H]3CS(=O)(=O)C4)cn2)CC1 ZINC001263172547 846760059 /nfs/dbraw/zinc/76/00/59/846760059.db2.gz ZBSSSYWZMQXSKN-LRDDRELGSA-N 2 0 367.475 -0.278 20 0 FBADRP O=C(N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001263175765 846759978 /nfs/dbraw/zinc/75/99/78/846759978.db2.gz LICMIPUOWXJTJU-MAKQCAJESA-N 2 0 350.419 -0.994 20 0 FBADRP O=C(N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001263175766 846760210 /nfs/dbraw/zinc/76/02/10/846760210.db2.gz LICMIPUOWXJTJU-RBUCKAEESA-N 2 0 350.419 -0.994 20 0 FBADRP O=C(C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@@H]12)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001263178342 846759444 /nfs/dbraw/zinc/75/94/44/846759444.db2.gz JYRRJMSRAGMGHW-LTIDMASMSA-N 2 0 363.483 -0.160 20 0 FBADRP O=C(C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@H]12)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC001263178343 846759586 /nfs/dbraw/zinc/75/95/86/846759586.db2.gz JYRRJMSRAGMGHW-QBPKDAKJSA-N 2 0 363.483 -0.160 20 0 FBADRP O=C(C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@@H]12)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC001263178344 846759928 /nfs/dbraw/zinc/75/99/28/846759928.db2.gz JYRRJMSRAGMGHW-WCXIOVBPSA-N 2 0 363.483 -0.160 20 0 FBADRP O=C(C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@H]12)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001263178345 846760167 /nfs/dbraw/zinc/76/01/67/846760167.db2.gz JYRRJMSRAGMGHW-YYIAUSFCSA-N 2 0 363.483 -0.160 20 0 FBADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)C[C@@]2(O)CCC[NH2+]C2)CC1 ZINC001263181015 846759803 /nfs/dbraw/zinc/75/98/03/846759803.db2.gz AKNITNAWPXVBSC-KRWDZBQOSA-N 2 0 352.479 -0.177 20 0 FBADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)C[C@]2(O)CCC[NH2+]C2)CC1 ZINC001263181016 846759850 /nfs/dbraw/zinc/75/98/50/846759850.db2.gz AKNITNAWPXVBSC-QGZVFWFLSA-N 2 0 352.479 -0.177 20 0 FBADRP C[C@]1(CC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)CCS(=O)(=O)N1 ZINC001263190788 846759747 /nfs/dbraw/zinc/75/97/47/846759747.db2.gz QYFVQRYVCXVYRC-HLLBOEOZSA-N 2 0 370.519 -0.115 20 0 FBADRP C[C@@]1(CC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)CCS(=O)(=O)N1 ZINC001263190789 846761109 /nfs/dbraw/zinc/76/11/09/846761109.db2.gz QYFVQRYVCXVYRC-UXLLHSPISA-N 2 0 370.519 -0.115 20 0 FBADRP C[NH2+][C@@H](CNC(=O)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2)Cc1ccccc1 ZINC001263200999 846761119 /nfs/dbraw/zinc/76/11/19/846761119.db2.gz WELKOQCOWWNOOX-UXLLHSPISA-N 2 0 351.472 -0.433 20 0 FBADRP C[NH2+][C@H](CNC(=O)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2)Cc1ccccc1 ZINC001263201000 846761070 /nfs/dbraw/zinc/76/10/70/846761070.db2.gz WELKOQCOWWNOOX-ZOBUZTSGSA-N 2 0 351.472 -0.433 20 0 FBADRP C[C@@]1(C(=O)NCC[NH2+]CCNC(=O)[C@@]2(C)CCC[NH2+]C2)CCC[NH2+]C1 ZINC001263272814 846763120 /nfs/dbraw/zinc/76/31/20/846763120.db2.gz PFORYNIMMAQBLV-HDICACEKSA-N 3 0 353.511 -0.412 20 0 FBADRP C[C@@]1(C(=O)NCC[NH2+]CCNC(=O)[C@]2(C)CCC[NH2+]C2)CCC[NH2+]C1 ZINC001263272815 846763263 /nfs/dbraw/zinc/76/32/63/846763263.db2.gz PFORYNIMMAQBLV-QZTJIDSGSA-N 3 0 353.511 -0.412 20 0 FBADRP C[C@]1(C(=O)NCC[NH2+]CCNC(=O)[C@@]2(C)CCC[NH2+]C2)CCC[NH2+]C1 ZINC001263272816 846763104 /nfs/dbraw/zinc/76/31/04/846763104.db2.gz PFORYNIMMAQBLV-ROUUACIJSA-N 3 0 353.511 -0.412 20 0 FBADRP C[NH+](C)[C@]1(CNC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)CCSC1 ZINC001263713216 846769296 /nfs/dbraw/zinc/76/92/96/846769296.db2.gz AGWWUPRKVDGGCT-BHYGNILZSA-N 2 0 372.535 -0.051 20 0 FBADRP C[NH+](C)[C@@]1(CNC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)CCSC1 ZINC001263713217 846769720 /nfs/dbraw/zinc/76/97/20/846769720.db2.gz AGWWUPRKVDGGCT-USXIJHARSA-N 2 0 372.535 -0.051 20 0 FBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC001263773455 846772456 /nfs/dbraw/zinc/77/24/56/846772456.db2.gz VEVPTUCHJUILSU-CVEARBPZSA-N 2 0 352.479 -0.940 20 0 FBADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC001263773456 846772414 /nfs/dbraw/zinc/77/24/14/846772414.db2.gz VEVPTUCHJUILSU-HOTGVXAUSA-N 2 0 352.479 -0.940 20 0 FBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC001263773457 846772626 /nfs/dbraw/zinc/77/26/26/846772626.db2.gz VEVPTUCHJUILSU-HZPDHXFCSA-N 2 0 352.479 -0.940 20 0 FBADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC001263773458 846772191 /nfs/dbraw/zinc/77/21/91/846772191.db2.gz VEVPTUCHJUILSU-JKSUJKDBSA-N 2 0 352.479 -0.940 20 0 FBADRP C[C@H](NC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO)[C@@H]1C[NH+](C)CCN1C ZINC001263778068 846772873 /nfs/dbraw/zinc/77/28/73/846772873.db2.gz DDQJYSVJNCCGLX-HZMVEIRTSA-N 2 0 353.511 -0.139 20 0 FBADRP C[C@H](NC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO)[C@H]1C[NH+](C)CCN1C ZINC001263778069 846772260 /nfs/dbraw/zinc/77/22/60/846772260.db2.gz DDQJYSVJNCCGLX-VVLHAWIVSA-N 2 0 353.511 -0.139 20 0 FBADRP C[C@H](NC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO)[C@H]1C[NH+](C)CCN1C ZINC001263778070 846771820 /nfs/dbraw/zinc/77/18/20/846771820.db2.gz DDQJYSVJNCCGLX-YLFCFFPRSA-N 2 0 353.511 -0.139 20 0 FBADRP C[C@H](NC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO)[C@@H]1C[NH+](C)CCN1C ZINC001263778071 846772054 /nfs/dbraw/zinc/77/20/54/846772054.db2.gz DDQJYSVJNCCGLX-YVSFHVDLSA-N 2 0 353.511 -0.139 20 0 FBADRP C[C@@H](NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)[C@@H]1C[N@H+](C)CCN1C ZINC001263778482 846772154 /nfs/dbraw/zinc/77/21/54/846772154.db2.gz LRZMNXYLPSBTRC-CABCVRRESA-N 2 0 356.515 -0.718 20 0 FBADRP C[C@H](NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)[C@@H]1C[N@H+](C)CCN1C ZINC001263778483 846771992 /nfs/dbraw/zinc/77/19/92/846771992.db2.gz LRZMNXYLPSBTRC-GJZGRUSLSA-N 2 0 356.515 -0.718 20 0 FBADRP C[C@@H](NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)[C@H]1C[N@H+](C)CCN1C ZINC001263778484 846772235 /nfs/dbraw/zinc/77/22/35/846772235.db2.gz LRZMNXYLPSBTRC-HUUCEWRRSA-N 2 0 356.515 -0.718 20 0 FBADRP C[C@H](NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)[C@H]1C[N@H+](C)CCN1C ZINC001263778485 846772727 /nfs/dbraw/zinc/77/27/27/846772727.db2.gz LRZMNXYLPSBTRC-LSDHHAIUSA-N 2 0 356.515 -0.718 20 0 FBADRP CN(CCC[NH+](C)C)CCNC(=O)CN1CCCC2(CC2)S1(=O)=O ZINC001263861119 846774961 /nfs/dbraw/zinc/77/49/61/846774961.db2.gz QHHDGJPPZSFGJY-UHFFFAOYSA-N 2 0 360.524 -0.056 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC(=O)NC(=O)NC)C2)CC[N@@H+]1C ZINC001263861974 846775044 /nfs/dbraw/zinc/77/50/44/846775044.db2.gz VJYMFEOVCPRWOT-XDQVBPFNSA-N 2 0 353.467 -0.343 20 0 FBADRP O=C(NC[C@H]1C[C@H]([NH2+]CCCO)C1)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001263868525 846775166 /nfs/dbraw/zinc/77/51/66/846775166.db2.gz KWGHSOPHVSSUPE-VQHPVUNQSA-N 2 0 355.479 -0.267 20 0 FBADRP Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001263869171 846775446 /nfs/dbraw/zinc/77/54/46/846775446.db2.gz JLSFIUPHCJAUFZ-CHWSQXEVSA-N 2 0 351.451 -0.063 20 0 FBADRP CN(CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1)S(C)(=O)=O ZINC001263894061 846777243 /nfs/dbraw/zinc/77/72/43/846777243.db2.gz RXFCNXPJTLTGKL-RRFJBIMHSA-N 2 0 360.524 -0.154 20 0 FBADRP CN(CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1)S(C)(=O)=O ZINC001263894062 846777339 /nfs/dbraw/zinc/77/73/39/846777339.db2.gz RXFCNXPJTLTGKL-ZNMIVQPWSA-N 2 0 360.524 -0.154 20 0 FBADRP Cn1[nH]c(C[NH2+][C@@H]2CC[C@H](CNC(=O)C3([NH+](C)C)CCC3)C2)nc1=O ZINC001263905235 846778836 /nfs/dbraw/zinc/77/88/36/846778836.db2.gz QTXSTXKVETTYAJ-QWHCGFSZSA-N 2 0 350.467 -0.033 20 0 FBADRP CC[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1)[NH+](C)C ZINC001263906496 846778539 /nfs/dbraw/zinc/77/85/39/846778539.db2.gz MFQKLHOERXAASS-BFHYXJOUSA-N 2 0 353.467 -0.247 20 0 FBADRP NC(=O)NC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001263933239 846781976 /nfs/dbraw/zinc/78/19/76/846781976.db2.gz ROFAQLJYBQPNLT-UONOGXRCSA-N 2 0 353.467 -0.068 20 0 FBADRP COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cnn(C)c1 ZINC001263942200 846783494 /nfs/dbraw/zinc/78/34/94/846783494.db2.gz HNFOTNAWSLIXPW-HRCADAONSA-N 2 0 353.467 -0.737 20 0 FBADRP Cn1cc([C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2[NH2+]CCS(C)(=O)=O)cn1 ZINC001263942256 846782946 /nfs/dbraw/zinc/78/29/46/846782946.db2.gz IZYASVDPRPKKFJ-LSDHHAIUSA-N 2 0 371.507 -0.700 20 0 FBADRP CCO[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C[NH2+]CC(=O)NC ZINC001263966819 846786560 /nfs/dbraw/zinc/78/65/60/846786560.db2.gz WZAOGSSLVVCXAB-BZUAXINKSA-N 2 0 352.479 -0.473 20 0 FBADRP CCO[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1C[NH2+]CC(=O)NC ZINC001263966820 846786443 /nfs/dbraw/zinc/78/64/43/846786443.db2.gz WZAOGSSLVVCXAB-OWCLPIDISA-N 2 0 352.479 -0.473 20 0 FBADRP CCO[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]C[C@H](O)COC ZINC001263970278 846787717 /nfs/dbraw/zinc/78/77/17/846787717.db2.gz OHWLRLSYWBTEHM-LTIDMASMSA-N 2 0 357.495 -0.069 20 0 FBADRP CCO[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+][C@@H](CC)C(N)=O ZINC001263973819 846788744 /nfs/dbraw/zinc/78/87/44/846788744.db2.gz FTLQHIZOYJXZCY-QLFBSQMISA-N 2 0 352.479 -0.201 20 0 FBADRP CCO[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+][C@H](CC)C(N)=O ZINC001263973820 846788883 /nfs/dbraw/zinc/78/88/83/846788883.db2.gz FTLQHIZOYJXZCY-RBSFLKMASA-N 2 0 352.479 -0.201 20 0 FBADRP CCO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]CC(=O)NC1CC1 ZINC001263975308 846788832 /nfs/dbraw/zinc/78/88/32/846788832.db2.gz DOZDMNRZLZBXTH-GDBMZVCRSA-N 2 0 352.479 -0.186 20 0 FBADRP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CCn1cncn1 ZINC001263975733 846788998 /nfs/dbraw/zinc/78/89/98/846788998.db2.gz OHPQMLLPQTUALZ-ARFHVFGLSA-N 2 0 350.467 -0.317 20 0 FBADRP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CCn1cncn1 ZINC001263975734 846788848 /nfs/dbraw/zinc/78/88/48/846788848.db2.gz OHPQMLLPQTUALZ-BZUAXINKSA-N 2 0 350.467 -0.317 20 0 FBADRP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CC(=O)NC(C)C ZINC001263975875 846789032 /nfs/dbraw/zinc/78/90/32/846789032.db2.gz UMNJKHHIYMGTIZ-ARFHVFGLSA-N 2 0 354.495 -0.084 20 0 FBADRP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CC(=O)NC(C)C ZINC001263975876 846788495 /nfs/dbraw/zinc/78/84/95/846788495.db2.gz UMNJKHHIYMGTIZ-BZUAXINKSA-N 2 0 354.495 -0.084 20 0 FBADRP CC(C)(C[NH+]1CCOCC1)C(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001263994018 846790466 /nfs/dbraw/zinc/79/04/66/846790466.db2.gz BTIVWVMLIDSSQK-MAUKXSAKSA-N 2 0 355.479 -0.313 20 0 FBADRP C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001264000466 846791287 /nfs/dbraw/zinc/79/12/87/846791287.db2.gz QTCJWBHQWKBPKM-OCCSQVGLSA-N 2 0 353.467 -0.260 20 0 FBADRP CNC(=O)NC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[NH+]1CCCC1 ZINC001264008381 846792267 /nfs/dbraw/zinc/79/22/67/846792267.db2.gz NMGHJPFWBACEOK-KGLIPLIRSA-N 2 0 353.467 -0.246 20 0 FBADRP CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001264096249 846800307 /nfs/dbraw/zinc/80/03/07/846800307.db2.gz ILZPCNPFPARRKG-KGLIPLIRSA-N 2 0 353.467 -0.436 20 0 FBADRP CNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@@H]2C1 ZINC001264101000 846801574 /nfs/dbraw/zinc/80/15/74/846801574.db2.gz PSFLGNGRGKDGPW-KGLIPLIRSA-N 2 0 353.467 -0.438 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CCCCC[C@H]([NH2+]CC(=O)NC(N)=O)C2)CC[N@@H+]1C ZINC001264119033 846802532 /nfs/dbraw/zinc/80/25/32/846802532.db2.gz SHPAXSVVUAUVQU-HZSPNIEDSA-N 2 0 353.467 -0.118 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CCCCC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)CC[N@@H+]1C ZINC001264119034 846802506 /nfs/dbraw/zinc/80/25/06/846802506.db2.gz SHPAXSVVUAUVQU-MGPQQGTHSA-N 2 0 353.467 -0.118 20 0 FBADRP COC[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H]1C ZINC001264141572 846805877 /nfs/dbraw/zinc/80/58/77/846805877.db2.gz CIUIHWXAFIZOCI-ILXRZTDVSA-N 2 0 353.467 -0.355 20 0 FBADRP CC[C@@H](C(=O)N[C@H]1CC[N@H+](C[C@H](O)CN2CCCC2=O)[C@@H]1C)[NH+](C)C ZINC001264161173 846809800 /nfs/dbraw/zinc/80/98/00/846809800.db2.gz DRTQBVHETGNSSH-UGUYLWEFSA-N 2 0 354.495 -0.111 20 0 FBADRP CC(=O)NCCOCC[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001264167839 846812083 /nfs/dbraw/zinc/81/20/83/846812083.db2.gz CLOGJCJZFZMXAJ-ZBFHGGJFSA-N 2 0 352.479 -0.186 20 0 FBADRP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CCN2C(=O)CNC2=O)[C@@H]1C ZINC001264169480 846811733 /nfs/dbraw/zinc/81/17/33/846811733.db2.gz JLRBALFQQAHOHZ-KGLIPLIRSA-N 2 0 353.467 -0.151 20 0 FBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001264342420 846815865 /nfs/dbraw/zinc/81/58/65/846815865.db2.gz MGWBEUFAVAHRDQ-MCIONIFRSA-N 2 0 353.467 -0.057 20 0 FBADRP CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001264392547 846817389 /nfs/dbraw/zinc/81/73/89/846817389.db2.gz SIFOMVUOEPONAM-MEBFFEOJSA-N 2 0 353.467 -0.345 20 0 FBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001264392548 846817675 /nfs/dbraw/zinc/81/76/75/846817675.db2.gz SIFOMVUOEPONAM-XGFWRYKXSA-N 2 0 353.467 -0.345 20 0 FBADRP C[C@@H]([NH2+][C@@H]1CC[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1)C(=O)NC(N)=O ZINC001264466321 846819668 /nfs/dbraw/zinc/81/96/68/846819668.db2.gz WACMDRJZXBFIRO-FRRDWIJNSA-N 2 0 353.467 -0.071 20 0 FBADRP C[C@H]([NH2+][C@@H]1CC[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1)C(=O)NC(N)=O ZINC001264466322 846819842 /nfs/dbraw/zinc/81/98/42/846819842.db2.gz WACMDRJZXBFIRO-RWMBFGLXSA-N 2 0 353.467 -0.071 20 0 FBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001264467855 846819901 /nfs/dbraw/zinc/81/99/01/846819901.db2.gz XGJDHNVMFITWGI-BFHYXJOUSA-N 2 0 353.467 -0.199 20 0 FBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001264467856 846819817 /nfs/dbraw/zinc/81/98/17/846819817.db2.gz XGJDHNVMFITWGI-MJBXVCDLSA-N 2 0 353.467 -0.199 20 0 FBADRP CCS(=O)(=O)NCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001264473595 846820802 /nfs/dbraw/zinc/82/08/02/846820802.db2.gz PUGCGWXVCNDDRD-RRFJBIMHSA-N 2 0 360.524 -0.106 20 0 FBADRP C[C@@H]([NH2+][C@@H]1CC[C@H](CNC(=O)C2CC[NH+](C)CC2)C1)C(=O)NC(N)=O ZINC001264477405 846821204 /nfs/dbraw/zinc/82/12/04/846821204.db2.gz FWJMEYFWTNSIPH-MBNYWOFBSA-N 2 0 353.467 -0.214 20 0 FBADRP C[C@H]([NH2+][C@@H]1CC[C@H](CNC(=O)C2CC[NH+](C)CC2)C1)C(=O)NC(N)=O ZINC001264477406 846820777 /nfs/dbraw/zinc/82/07/77/846820777.db2.gz FWJMEYFWTNSIPH-SGMGOOAPSA-N 2 0 353.467 -0.214 20 0 FBADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)C1 ZINC001264478840 846820883 /nfs/dbraw/zinc/82/08/83/846820883.db2.gz RUJLADRXHFEVNI-HZSPNIEDSA-N 2 0 350.467 -0.175 20 0 FBADRP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)C1 ZINC001264478841 846820658 /nfs/dbraw/zinc/82/06/58/846820658.db2.gz RUJLADRXHFEVNI-MELADBBJSA-N 2 0 350.467 -0.175 20 0 FBADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001264487146 846821918 /nfs/dbraw/zinc/82/19/18/846821918.db2.gz SWSYOLWOAQZMOY-RRFJBIMHSA-N 2 0 360.524 -0.248 20 0 FBADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001264487147 846822177 /nfs/dbraw/zinc/82/21/77/846822177.db2.gz SWSYOLWOAQZMOY-SOUVJXGZSA-N 2 0 360.524 -0.248 20 0 FBADRP CCS(=O)(=O)NCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001264490879 846822109 /nfs/dbraw/zinc/82/21/09/846822109.db2.gz FAWMMLYFZCVVSB-RRFJBIMHSA-N 2 0 360.524 -0.248 20 0 FBADRP CCS(=O)(=O)NCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001264490880 846822571 /nfs/dbraw/zinc/82/25/71/846822571.db2.gz FAWMMLYFZCVVSB-SOUVJXGZSA-N 2 0 360.524 -0.248 20 0 FBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001264491196 846822069 /nfs/dbraw/zinc/82/20/69/846822069.db2.gz RNFKYUGMDQHSJQ-BFHYXJOUSA-N 2 0 353.467 -0.342 20 0 FBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001264491197 846821835 /nfs/dbraw/zinc/82/18/35/846821835.db2.gz RNFKYUGMDQHSJQ-MELADBBJSA-N 2 0 353.467 -0.342 20 0 FBADRP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCO)C1 ZINC001264499777 846823724 /nfs/dbraw/zinc/82/37/24/846823724.db2.gz GCFGEMWSOUAVFA-ARFHVFGLSA-N 2 0 355.458 -0.024 20 0 FBADRP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCO)C1 ZINC001264499778 846823288 /nfs/dbraw/zinc/82/32/88/846823288.db2.gz GCFGEMWSOUAVFA-HRCADAONSA-N 2 0 355.458 -0.024 20 0 FBADRP CC[C@@H](C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CC(=O)NC)C1)[NH+](C)C ZINC001264502316 846824448 /nfs/dbraw/zinc/82/44/48/846824448.db2.gz GBBKHDRKTXMTHY-ZNMIVQPWSA-N 2 0 350.467 -0.610 20 0 FBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001264504072 846824208 /nfs/dbraw/zinc/82/42/08/846824208.db2.gz QYJSASQMLTWDHZ-AEGPPILISA-N 2 0 350.467 -0.480 20 0 FBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001264504074 846824294 /nfs/dbraw/zinc/82/42/94/846824294.db2.gz QYJSASQMLTWDHZ-VHDGCEQUSA-N 2 0 350.467 -0.480 20 0 FBADRP CCO[C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1C[NH2+]CCO ZINC001264529463 846826782 /nfs/dbraw/zinc/82/67/82/846826782.db2.gz HDWWUAIAPCFQGO-HZPDHXFCSA-N 2 0 357.495 -0.210 20 0 FBADRP CCO[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]C[C@@H](O)COC ZINC001264532385 846826667 /nfs/dbraw/zinc/82/66/67/846826667.db2.gz OHWLRLSYWBTEHM-WCXIOVBPSA-N 2 0 357.495 -0.069 20 0 FBADRP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1C[NH2+]CC(=O)NC ZINC001264532462 846826806 /nfs/dbraw/zinc/82/68/06/846826806.db2.gz RECPBPLPVXOOKT-CAOSSQGBSA-N 2 0 354.495 -0.084 20 0 FBADRP CCO[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001264533417 846827789 /nfs/dbraw/zinc/82/77/89/846827789.db2.gz GNXWCCPYRLABNF-ARFHVFGLSA-N 2 0 354.495 -0.131 20 0 FBADRP CCO[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001264533418 846827821 /nfs/dbraw/zinc/82/78/21/846827821.db2.gz GNXWCCPYRLABNF-BZUAXINKSA-N 2 0 354.495 -0.131 20 0 FBADRP CCO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001264533462 846827803 /nfs/dbraw/zinc/82/78/03/846827803.db2.gz IELVEUCNOBKREM-HZPDHXFCSA-N 2 0 354.495 -0.131 20 0 FBADRP CCO[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001264533532 846827671 /nfs/dbraw/zinc/82/76/71/846827671.db2.gz LQPYUKATLHKFKI-CHWSQXEVSA-N 2 0 354.455 -0.987 20 0 FBADRP CCO[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C[NH2+]CC(N)=O ZINC001264536357 846827725 /nfs/dbraw/zinc/82/77/25/846827725.db2.gz TZKSERHELWDFJZ-UKRRQHHQSA-N 2 0 356.467 -0.964 20 0 FBADRP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001264538983 846827383 /nfs/dbraw/zinc/82/73/83/846827383.db2.gz RKHHHCOFHHPKBL-RBSFLKMASA-N 2 0 361.508 -0.564 20 0 FBADRP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001264538984 846827706 /nfs/dbraw/zinc/82/77/06/846827706.db2.gz RKHHHCOFHHPKBL-RRFJBIMHSA-N 2 0 361.508 -0.564 20 0 FBADRP CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1OCC ZINC001264539006 846827413 /nfs/dbraw/zinc/82/74/13/846827413.db2.gz SKMQGESMPHIKCW-ARFHVFGLSA-N 2 0 354.495 -0.083 20 0 FBADRP CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1OCC ZINC001264539007 846828805 /nfs/dbraw/zinc/82/88/05/846828805.db2.gz SKMQGESMPHIKCW-BZUAXINKSA-N 2 0 354.495 -0.083 20 0 FBADRP C[C@@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)[C@H](C[NH2+]CC(N)=O)C1 ZINC001264561639 846829443 /nfs/dbraw/zinc/82/94/43/846829443.db2.gz VHEGIPXOMALAIJ-HIFRSBDPSA-N 2 0 350.467 -0.240 20 0 FBADRP C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)[C@H](C[NH2+]CCNS(C)(=O)=O)C1 ZINC001264567102 846829931 /nfs/dbraw/zinc/82/99/31/846829931.db2.gz TVVUJNYWMOMSMK-ILXRZTDVSA-N 2 0 360.524 -0.296 20 0 FBADRP C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@H](C[NH2+]CCNS(C)(=O)=O)C1 ZINC001264567103 846829573 /nfs/dbraw/zinc/82/95/73/846829573.db2.gz TVVUJNYWMOMSMK-KFWWJZLASA-N 2 0 360.524 -0.296 20 0 FBADRP CNC(=O)NC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001264567156 846829944 /nfs/dbraw/zinc/82/99/44/846829944.db2.gz WGSWGDLRAPSZPY-MCIONIFRSA-N 2 0 353.467 -0.390 20 0 FBADRP CNC(=O)NC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001264567157 846829524 /nfs/dbraw/zinc/82/95/24/846829524.db2.gz WGSWGDLRAPSZPY-RDBSUJKOSA-N 2 0 353.467 -0.390 20 0 FBADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCN2C(=O)CNC2=O)[C@@H]1CC ZINC001264623929 846834747 /nfs/dbraw/zinc/83/47/47/846834747.db2.gz URTXBJYPZMIRCX-UONOGXRCSA-N 2 0 353.467 -0.151 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)NC(N)=O)CC[C@@H]3C2)CC[N@@H+]1C ZINC001264643725 846838061 /nfs/dbraw/zinc/83/80/61/846838061.db2.gz JFYZQMICNNLVHH-YIYPIFLZSA-N 2 0 351.451 -0.698 20 0 FBADRP CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](CC(=O)NC(=O)NC)CC[C@@H]2C1)[NH+](C)C ZINC001264646386 846838823 /nfs/dbraw/zinc/83/88/23/846838823.db2.gz MSTNAXSWJVYDDT-HZSPNIEDSA-N 2 0 353.467 -0.438 20 0 FBADRP CNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001264649362 846839971 /nfs/dbraw/zinc/83/99/71/846839971.db2.gz YNCXBLRVVHNWQL-HZSPNIEDSA-N 2 0 351.451 -0.684 20 0 FBADRP CC[N@H+](C)CCC(=O)N1C[C@@H]2C[NH+](CC(=O)NC(=O)NC)CC[C@@H]2C1 ZINC001264654628 846840142 /nfs/dbraw/zinc/84/01/42/846840142.db2.gz SWBLMMWPJMOVML-KGLIPLIRSA-N 2 0 353.467 -0.436 20 0 FBADRP CCC[N@H+](C)CCC(=O)N1C[C@@H]2C[NH+](CC(=O)NC(N)=O)CC[C@@H]2C1 ZINC001264655967 846839673 /nfs/dbraw/zinc/83/96/73/846839673.db2.gz VKILSNCGKAFICL-KGLIPLIRSA-N 2 0 353.467 -0.307 20 0 FBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2C[NH+]([C@H](C)C(=O)NC(N)=O)CC[C@@H]2C1 ZINC001264658436 846841422 /nfs/dbraw/zinc/84/14/22/846841422.db2.gz MFXQDJXOJLSAHG-MCIONIFRSA-N 2 0 353.467 -0.310 20 0 FBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2C[NH+]([C@@H](C)C(=O)NC(N)=O)CC[C@@H]2C1 ZINC001264658437 846842122 /nfs/dbraw/zinc/84/21/22/846842122.db2.gz MFXQDJXOJLSAHG-MJBXVCDLSA-N 2 0 353.467 -0.310 20 0 FBADRP COC[C@H](O)C[N@@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H]1C ZINC001264700996 846845099 /nfs/dbraw/zinc/84/50/99/846845099.db2.gz CIUIHWXAFIZOCI-KFWWJZLASA-N 2 0 353.467 -0.355 20 0 FBADRP CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](CCN2C(=O)CNC2=O)[C@@H]1C)[NH+](C)C ZINC001264706675 846846133 /nfs/dbraw/zinc/84/61/33/846846133.db2.gz NLRABMWGXXWYCF-IPYPFGDCSA-N 2 0 353.467 -0.297 20 0 FBADRP COC[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H]1C ZINC001264707846 846846971 /nfs/dbraw/zinc/84/69/71/846846971.db2.gz CXXUKLMNFFODFI-PMPSAXMXSA-N 2 0 357.495 -0.069 20 0 FBADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CCCN2C(=O)CNC2=O)[C@@H]1C ZINC001264726139 846851952 /nfs/dbraw/zinc/85/19/52/846851952.db2.gz JTACPSSUYZZYKK-KGLIPLIRSA-N 2 0 353.467 -0.151 20 0 FBADRP CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CCN1C(=O)CNC1=O ZINC001265114891 846856647 /nfs/dbraw/zinc/85/66/47/846856647.db2.gz RSHQJSHMMGKJPR-ZIAGYGMSSA-N 2 0 353.467 -0.293 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]CC(=O)NC(=O)NC3CC3)C2)CC[N@@H+]1C ZINC001265430729 846860625 /nfs/dbraw/zinc/86/06/25/846860625.db2.gz HENRSNQBHHHMGE-KWCYVHTRSA-N 2 0 351.451 -0.495 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]CC(=O)NC3CCOCC3)C2)CC[N@@H+]1C ZINC001265430780 846860948 /nfs/dbraw/zinc/86/09/48/846860948.db2.gz IXOFQSYDIZNDBC-VNQPRFMTSA-N 2 0 352.479 -0.188 20 0 FBADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NC[C@H]3CCCO3)C2)CC[N@@H+]1C ZINC001265540122 846862033 /nfs/dbraw/zinc/86/20/33/846862033.db2.gz GREOWYLKDVVAOJ-IBEHDNSVSA-N 2 0 352.479 -0.141 20 0 FBADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NC[C@@H]3CCCO3)C2)CC[N@@H+]1C ZINC001265540123 846861767 /nfs/dbraw/zinc/86/17/67/846861767.db2.gz GREOWYLKDVVAOJ-RBGFHDKUSA-N 2 0 352.479 -0.141 20 0 FBADRP CNC(=O)NC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001265608781 846861671 /nfs/dbraw/zinc/86/16/71/846861671.db2.gz CQWXQUIYXPPOOW-HZSPNIEDSA-N 2 0 353.467 -0.390 20 0 FBADRP CNC(=O)NC(=O)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001265608782 846862314 /nfs/dbraw/zinc/86/23/14/846862314.db2.gz CQWXQUIYXPPOOW-MGPQQGTHSA-N 2 0 353.467 -0.390 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2C[NH2+]CC(=O)NC(N)=O)CC[N@@H+]1C ZINC001265670133 846863087 /nfs/dbraw/zinc/86/30/87/846863087.db2.gz LYMZBGMMQVQILN-HZSPNIEDSA-N 2 0 353.467 -0.118 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2C[NH2+]CC(=O)NC(N)=O)CC[N@@H+]1C ZINC001265670134 846863919 /nfs/dbraw/zinc/86/39/19/846863919.db2.gz LYMZBGMMQVQILN-MELADBBJSA-N 2 0 353.467 -0.118 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH2+]CCN2CCCS2(=O)=O)CC[N@@H+]1C ZINC001265777617 846864035 /nfs/dbraw/zinc/86/40/35/846864035.db2.gz QPUGSHMMNFKLJR-QLFBSQMISA-N 2 0 360.524 -0.154 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH2+]CCN2CCCS2(=O)=O)CC[N@@H+]1C ZINC001265777618 846863299 /nfs/dbraw/zinc/86/32/99/846863299.db2.gz QPUGSHMMNFKLJR-SOUVJXGZSA-N 2 0 360.524 -0.154 20 0 FBADRP C[C@@H]1[C@H](C(=O)NCCC[NH+](C)CC(=O)NC[C@H]2CCOC2)CC[N@@H+]1C ZINC001265849194 846864929 /nfs/dbraw/zinc/86/49/29/846864929.db2.gz WCZMUZZYNWCQGX-BZUAXINKSA-N 2 0 354.495 -0.083 20 0 FBADRP C[C@@H]1[C@H](C(=O)NCCC[NH+](C)CC(=O)NC[C@@H]2CCOC2)CC[N@@H+]1C ZINC001265849195 846865025 /nfs/dbraw/zinc/86/50/25/846865025.db2.gz WCZMUZZYNWCQGX-OWCLPIDISA-N 2 0 354.495 -0.083 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CCNS(=O)(=O)CC)C2)CC[N@@H+]1C ZINC001265905182 846865827 /nfs/dbraw/zinc/86/58/27/846865827.db2.gz CMAKSLYYIHXZOE-SOUVJXGZSA-N 2 0 360.524 -0.154 20 0 FBADRP CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001265979517 846865795 /nfs/dbraw/zinc/86/57/95/846865795.db2.gz NLGCNXVXMLBPKH-HZSPNIEDSA-N 2 0 353.467 -0.390 20 0 FBADRP CCNC(=O)NC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001265979518 846865142 /nfs/dbraw/zinc/86/51/42/846865142.db2.gz NLGCNXVXMLBPKH-MGPQQGTHSA-N 2 0 353.467 -0.390 20 0 FBADRP CCNC(=O)NC(=O)CN1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001266321172 835981517 /nfs/dbraw/zinc/98/15/17/835981517.db2.gz LNXSPUHEZQHUJQ-HZSPNIEDSA-N 2 0 353.467 -0.247 20 0 FBADRP CCNC(=O)NC(=O)CN1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001266321173 835981144 /nfs/dbraw/zinc/98/11/44/835981144.db2.gz LNXSPUHEZQHUJQ-MELADBBJSA-N 2 0 353.467 -0.247 20 0 FBADRP CCCNC(=O)NC(=O)CN1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001266321970 835981566 /nfs/dbraw/zinc/98/15/66/835981566.db2.gz XYDNMXRYCXRFSV-HZSPNIEDSA-N 2 0 353.467 -0.247 20 0 FBADRP CCCNC(=O)NC(=O)CN1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001266321971 835981269 /nfs/dbraw/zinc/98/12/69/835981269.db2.gz XYDNMXRYCXRFSV-MGPQQGTHSA-N 2 0 353.467 -0.247 20 0 FBADRP CCS(=O)(=O)NCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001266513739 835996265 /nfs/dbraw/zinc/99/62/65/835996265.db2.gz GEMIDODKEYUHQR-QLFBSQMISA-N 2 0 360.524 -0.296 20 0 FBADRP CCS(=O)(=O)NCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001266513740 835996398 /nfs/dbraw/zinc/99/63/98/835996398.db2.gz GEMIDODKEYUHQR-RBSFLKMASA-N 2 0 360.524 -0.296 20 0 FBADRP CCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H](C)C(=O)NC(=O)NC ZINC001266560154 835998278 /nfs/dbraw/zinc/99/82/78/835998278.db2.gz BRQASOVELAARNH-HZSPNIEDSA-N 2 0 355.483 -0.001 20 0 FBADRP CCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H](C)C(=O)NC(=O)NC ZINC001266560155 835998392 /nfs/dbraw/zinc/99/83/92/835998392.db2.gz BRQASOVELAARNH-MGPQQGTHSA-N 2 0 355.483 -0.001 20 0 FBADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NC[C@H]3CCOC3)C2)CC[N@@H+]1C ZINC001266593529 836000292 /nfs/dbraw/zinc/00/02/92/836000292.db2.gz NCPLJTJSPAIOGO-OXGONZEZSA-N 2 0 352.479 -0.284 20 0 FBADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NC[C@@H]3CCOC3)C2)CC[N@@H+]1C ZINC001266593530 836000384 /nfs/dbraw/zinc/00/03/84/836000384.db2.gz NCPLJTJSPAIOGO-YIDVYQOGSA-N 2 0 352.479 -0.284 20 0 FBADRP CCCNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001266593539 836000430 /nfs/dbraw/zinc/00/04/30/836000430.db2.gz NOAMTVROJAYPDA-AAVRWANBSA-N 2 0 353.467 -0.201 20 0 FBADRP CCS(=O)(=O)NCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC001266622798 836002884 /nfs/dbraw/zinc/00/28/84/836002884.db2.gz SOHLHIRKVOFPIT-AAVRWANBSA-N 2 0 369.491 -0.300 20 0 FBADRP CCNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001266685197 836007959 /nfs/dbraw/zinc/00/79/59/836007959.db2.gz BHRNBVSRMMXMRS-RFQIPJPRSA-N 2 0 353.467 -0.201 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCNS(=O)(=O)CC)C2)CC[N@@H+]1C ZINC001266685636 836007895 /nfs/dbraw/zinc/00/78/95/836007895.db2.gz KFHNIWYAHOWQMK-LJISPDSOSA-N 2 0 360.524 -0.107 20 0 FBADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCCN3C(=O)CNC3=O)C2)CC[N@@H+]1C ZINC001266686370 836008106 /nfs/dbraw/zinc/00/81/06/836008106.db2.gz ZDNCGBDBHNOZPB-YIYPIFLZSA-N 2 0 351.451 -0.495 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](C[NH2+]CC(=O)NC(N)=O)C2)CC[N@@H+]1C ZINC001266786200 836010732 /nfs/dbraw/zinc/01/07/32/836010732.db2.gz COWATHNASJYENK-HZSPNIEDSA-N 2 0 353.467 -0.260 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](C[NH2+]CC(=O)NC(N)=O)C2)CC[N@@H+]1C ZINC001266786201 836010710 /nfs/dbraw/zinc/01/07/10/836010710.db2.gz COWATHNASJYENK-MELADBBJSA-N 2 0 353.467 -0.260 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[NH2+]CCNS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001266786440 836010805 /nfs/dbraw/zinc/01/08/05/836010805.db2.gz IMIQGSNWJOBQDN-QLFBSQMISA-N 2 0 360.524 -0.296 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C[NH2+]CCNS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001266786441 836010779 /nfs/dbraw/zinc/01/07/79/836010779.db2.gz IMIQGSNWJOBQDN-RBSFLKMASA-N 2 0 360.524 -0.296 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH2+]CCCN2C(=O)CNC2=O)CC[N@@H+]1C ZINC001266939282 836017603 /nfs/dbraw/zinc/01/76/03/836017603.db2.gz DTZQUUJUAWJRBV-HZSPNIEDSA-N 2 0 353.467 -0.247 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH2+]CCCN2C(=O)CNC2=O)CC[N@@H+]1C ZINC001266939283 836016735 /nfs/dbraw/zinc/01/67/35/836016735.db2.gz DTZQUUJUAWJRBV-MELADBBJSA-N 2 0 353.467 -0.247 20 0 FBADRP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)[NH2+]CCN1CCCS1(=O)=O ZINC001266970831 836019740 /nfs/dbraw/zinc/01/97/40/836019740.db2.gz HTZGJGXHIHTNCK-BFHYXJOUSA-N 2 0 369.491 -0.347 20 0 FBADRP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)[NH2+]CCN1CCCS1(=O)=O ZINC001266970832 836020136 /nfs/dbraw/zinc/02/01/36/836020136.db2.gz HTZGJGXHIHTNCK-MGPQQGTHSA-N 2 0 369.491 -0.347 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C(=O)NCC[NH2+]CCCO)C2)CC[N@@H+]1C ZINC001267001762 836020560 /nfs/dbraw/zinc/02/05/60/836020560.db2.gz WNNBKSMXBAYSDV-BZUAXINKSA-N 2 0 354.495 -0.347 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C(=O)NCC[NH2+]CCCO)C2)CC[N@@H+]1C ZINC001267001763 836020349 /nfs/dbraw/zinc/02/03/49/836020349.db2.gz WNNBKSMXBAYSDV-OWCLPIDISA-N 2 0 354.495 -0.347 20 0 FBADRP C[C@@H]1[C@H](C(=O)NCCC[C@H]2CCC[NH+]2CC(=O)NC(N)=O)CC[N@@H+]1C ZINC001267167547 836026755 /nfs/dbraw/zinc/02/67/55/836026755.db2.gz GYDKYSRJBFWDAT-HZSPNIEDSA-N 2 0 353.467 -0.118 20 0 FBADRP C[C@@H]1[C@H](C(=O)NCCC[C@@H]2CCC[NH+]2CC(=O)NC(N)=O)CC[N@@H+]1C ZINC001267167548 836026542 /nfs/dbraw/zinc/02/65/42/836026542.db2.gz GYDKYSRJBFWDAT-MGPQQGTHSA-N 2 0 353.467 -0.118 20 0 FBADRP CC[N@H+](CCCN1C(=O)CNC1=O)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001267241569 836032155 /nfs/dbraw/zinc/03/21/55/836032155.db2.gz CBBOFMMOYDXTAX-ZIAGYGMSSA-N 2 0 353.467 -0.293 20 0 FBADRP CC(=O)NCCOCC[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001267293615 836034585 /nfs/dbraw/zinc/03/45/85/836034585.db2.gz WAZSDYJSBIOWGW-DJIMGWMZSA-N 2 0 354.495 -0.083 20 0 FBADRP CC(=O)NCCOCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001267293616 836034503 /nfs/dbraw/zinc/03/45/03/836034503.db2.gz WAZSDYJSBIOWGW-HYVNUMGLSA-N 2 0 354.495 -0.083 20 0 FBADRP O=C(NCC[C@H]1CC[N@@H+](CCO)C1)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001267552324 836044182 /nfs/dbraw/zinc/04/41/82/836044182.db2.gz MIAUBTNWPPIOEH-BBWFWOEESA-N 2 0 355.479 -0.313 20 0 FBADRP O=C(NCC[C@@H]1CC[N@@H+](CCO)C1)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001267552326 836044465 /nfs/dbraw/zinc/04/44/65/836044465.db2.gz MIAUBTNWPPIOEH-ZACQAIPSSA-N 2 0 355.479 -0.313 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CCC(C[NH+](C)CC(=O)NC(N)=O)CC2)CC[N@@H+]1C ZINC001267599233 836048132 /nfs/dbraw/zinc/04/81/32/836048132.db2.gz HYYXJAZMMRQETL-TZMCWYRMSA-N 2 0 353.467 -0.308 20 0 FBADRP COC[C@H](O)C[NH+]1CCN(CCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001267607314 836053055 /nfs/dbraw/zinc/05/30/55/836053055.db2.gz DLLHLMNBIDSBJY-BRWVUGGUSA-N 2 0 356.511 -0.590 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[NH2+]CCN2C(=O)CNC2=O)CC[N@@H+]1C ZINC001267956021 836084118 /nfs/dbraw/zinc/08/41/18/836084118.db2.gz REFUWHVSIFQICI-MGPQQGTHSA-N 2 0 351.451 -0.541 20 0 FBADRP C[C@H](C[NH2+]CCN(C)S(C)(=O)=O)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001268069486 836092087 /nfs/dbraw/zinc/09/20/87/836092087.db2.gz XJZYKUAIAZCPPC-JHJVBQTASA-N 2 0 357.480 -0.159 20 0 FBADRP C[C@@H](C[NH2+]CCN(C)S(C)(=O)=O)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001268069487 836092466 /nfs/dbraw/zinc/09/24/66/836092466.db2.gz XJZYKUAIAZCPPC-YNEHKIRRSA-N 2 0 357.480 -0.159 20 0 FBADRP CCNC(=O)NC(=O)C[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)C ZINC001268213471 836095962 /nfs/dbraw/zinc/09/59/62/836095962.db2.gz NOJIWUUPRSRDCV-MCIONIFRSA-N 2 0 355.483 -0.097 20 0 FBADRP CCNC(=O)NC(=O)C[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)C ZINC001268213482 836095104 /nfs/dbraw/zinc/09/51/04/836095104.db2.gz NOJIWUUPRSRDCV-MGPQQGTHSA-N 2 0 355.483 -0.097 20 0 FBADRP C[C@@H]1[C@H](C(=O)NC[C@@H](O)C[NH2+]CCCNC(=O)C(F)(F)F)CC[N@@H+]1C ZINC001268306293 836097337 /nfs/dbraw/zinc/09/73/37/836097337.db2.gz ALUSIBWBPBWFFJ-GRYCIOLGSA-N 2 0 368.400 -0.538 20 0 FBADRP C[C@@H]1[C@H](C(=O)NC[C@H](O)C[NH2+]CCCNC(=O)C(F)(F)F)CC[N@@H+]1C ZINC001268306300 836096934 /nfs/dbraw/zinc/09/69/34/836096934.db2.gz ALUSIBWBPBWFFJ-IJLUTSLNSA-N 2 0 368.400 -0.538 20 0 FBADRP Cc1nnc(NC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)s1 ZINC001268307107 836097918 /nfs/dbraw/zinc/09/79/18/836097918.db2.gz FQGSGLWMDOTRSI-ADEWGFFLSA-N 2 0 370.479 -0.808 20 0 FBADRP Cc1nnc(NC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)s1 ZINC001268307108 836097021 /nfs/dbraw/zinc/09/70/21/836097021.db2.gz FQGSGLWMDOTRSI-YUSALJHKSA-N 2 0 370.479 -0.808 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)Nc2nccs2)CC[N@@H+]1C ZINC001268308569 836096961 /nfs/dbraw/zinc/09/69/61/836096961.db2.gz QBPBDIPZUDTILH-FRRDWIJNSA-N 2 0 369.491 -0.121 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)Nc2nccs2)CC[N@@H+]1C ZINC001268308576 836097792 /nfs/dbraw/zinc/09/77/92/836097792.db2.gz QBPBDIPZUDTILH-RWMBFGLXSA-N 2 0 369.491 -0.121 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N(CC)CC[NH2+]CCN2C(=O)CNC2=O)CC[N@@H+]1C ZINC001268452192 836101638 /nfs/dbraw/zinc/10/16/38/836101638.db2.gz YBLUXAXZENLMDC-UONOGXRCSA-N 2 0 353.467 -0.293 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)NC/C=C/C[NH2+]CCN2C(=O)CNC2=O)CC[N@@H+]1C ZINC001268541672 836114547 /nfs/dbraw/zinc/11/45/47/836114547.db2.gz HFSRHIJMBIYGPK-OOPLNXAUSA-N 2 0 351.451 -0.470 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)NC/C=C\C[NH2+]CCN2C(=O)CNC2=O)CC[N@@H+]1C ZINC001268541673 836114217 /nfs/dbraw/zinc/11/42/17/836114217.db2.gz HFSRHIJMBIYGPK-OQOSRZTISA-N 2 0 351.451 -0.470 20 0 FBADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CCCS(=O)(=O)N(C)C)C2)CC[N@@H+]1C ZINC001269026098 836122548 /nfs/dbraw/zinc/12/25/48/836122548.db2.gz OZKIIJRJCRVNJA-QLFBSQMISA-N 2 0 360.524 -0.201 20 0 FBADRP CCS(=O)(=O)NCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001269026450 836122738 /nfs/dbraw/zinc/12/27/38/836122738.db2.gz YDOVEFXTOYZLPB-QLFBSQMISA-N 2 0 360.524 -0.154 20 0 FBADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(CC(=O)NC(=O)NC3CC3)C2)CC[N@@H+]1C ZINC001269129272 836123638 /nfs/dbraw/zinc/12/36/38/836123638.db2.gz GASCEFHLYMDHMC-MRVWCRGKSA-N 2 0 351.451 -0.495 20 0 FBADRP C[C@@H]1[C@H](C(=O)NCC2([NH2+]C[C@H](O)CN3CCCC3=O)CC2)CC[N@@H+]1C ZINC001269415564 836125397 /nfs/dbraw/zinc/12/53/97/836125397.db2.gz FGOLGJMCMWFHJT-QLFBSQMISA-N 2 0 352.479 -0.452 20 0 FBADRP C[C@@H]([NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCC1)C(=O)NC(N)=O ZINC001269549611 836126063 /nfs/dbraw/zinc/12/60/63/836126063.db2.gz WRSLLNUPCAQPAB-JHJVBQTASA-N 2 0 353.467 -0.071 20 0 FBADRP C[C@H]([NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCC1)C(=O)NC(N)=O ZINC001269549612 836125982 /nfs/dbraw/zinc/12/59/82/836125982.db2.gz WRSLLNUPCAQPAB-YNEHKIRRSA-N 2 0 353.467 -0.071 20 0 FBADRP CNC(=O)NC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001269985603 836148894 /nfs/dbraw/zinc/14/88/94/836148894.db2.gz KUIKZHPYNHWBPR-AAVRWANBSA-N 2 0 353.467 -0.201 20 0 FBADRP CN(C)C(=O)C[N@@H+]1CCC[C@]2(CCCN(C(=O)CN(C)C(N)=[NH2+])C2)C1 ZINC001269992275 836148873 /nfs/dbraw/zinc/14/88/73/836148873.db2.gz DXCMJGWORCODFU-KRWDZBQOSA-N 2 0 352.483 -0.396 20 0 FBADRP CN(C)C(=O)C[N@@H+]1CCC[C@@]2(CCCN(C(=O)CN(C)C(N)=[NH2+])C2)C1 ZINC001269992276 836148958 /nfs/dbraw/zinc/14/89/58/836148958.db2.gz DXCMJGWORCODFU-QGZVFWFLSA-N 2 0 352.483 -0.396 20 0 FBADRP CN(C)C(=O)C[N@@H+]1CCCC2(CCN(C(=O)CN(C)C(N)=[NH2+])CC2)C1 ZINC001269992377 836148697 /nfs/dbraw/zinc/14/86/97/836148697.db2.gz IUHRJNVROTZYPY-UHFFFAOYSA-N 2 0 352.483 -0.396 20 0 FBADRP C[NH+](C)CCC(=O)N1CC2(C1)CC[C@@H](C(=O)NC1CC[NH+](C)CC1)O2 ZINC001270060922 836155404 /nfs/dbraw/zinc/15/54/04/836155404.db2.gz JRVUEGDQQILDOD-HNNXBMFYSA-N 2 0 352.479 -0.092 20 0 FBADRP C[NH+](C)CCC(=O)N1CC2(C1)CC[C@H](C(=O)NC1CC[NH+](C)CC1)O2 ZINC001270060925 836156082 /nfs/dbraw/zinc/15/60/82/836156082.db2.gz JRVUEGDQQILDOD-OAHLLOKOSA-N 2 0 352.479 -0.092 20 0 FBADRP C[NH+](C)CCC(=O)N1C[C@@H]2C(C(=O)NC3CC[NH+](C)CC3)=NO[C@@H]2C1 ZINC001270061858 836155816 /nfs/dbraw/zinc/15/58/16/836155816.db2.gz SZXKIDMLBLFMBR-UONOGXRCSA-N 2 0 351.451 -0.638 20 0 FBADRP C[NH+](C)CCN1C[C@@]2(CC1=O)COCCN(C(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001270155585 836168991 /nfs/dbraw/zinc/16/89/91/836168991.db2.gz OSCGHKQPRNDACG-MAUKXSAKSA-N 2 0 352.479 -0.280 20 0 FBADRP C[NH+](C)CCN1C[C@]2(CC1=O)COCCN(C(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001270155586 836168725 /nfs/dbraw/zinc/16/87/25/836168725.db2.gz OSCGHKQPRNDACG-YJBOKZPZSA-N 2 0 352.479 -0.280 20 0 FBADRP C[NH+](C)CCN1C(=O)COCC12CN(C(=O)C[N@H+](C)C1CCCC1)C2 ZINC001270165348 836170395 /nfs/dbraw/zinc/17/03/95/836170395.db2.gz HQOGBJALIGQLJI-UHFFFAOYSA-N 2 0 352.479 -0.138 20 0 FBADRP C[NH+](C)CCN1CC2(CN(C(=O)C[N@H+](C)C3CCCC3)C2)OCC1=O ZINC001270166666 836170289 /nfs/dbraw/zinc/17/02/89/836170289.db2.gz XRBSZXMDUVORAS-UHFFFAOYSA-N 2 0 352.479 -0.138 20 0 FBADRP CC[NH+]1CCC(C(=O)N2CC3(C2)CN(CC[NH+](C)C)C(=O)CO3)CC1 ZINC001270236679 836179015 /nfs/dbraw/zinc/17/90/15/836179015.db2.gz FMYKIDZARGPKIA-UHFFFAOYSA-N 2 0 352.479 -0.280 20 0 FBADRP C[NH+](C)CCN1C[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+](C)C3)C2)OCC1=O ZINC001270333422 836187329 /nfs/dbraw/zinc/18/73/29/836187329.db2.gz SQUUKBVXQOVXCN-CRAIPNDOSA-N 2 0 352.479 -0.280 20 0 FBADRP C[NH+](C)CCN1C[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+](C)C3)C2)OCC1=O ZINC001270333425 836187027 /nfs/dbraw/zinc/18/70/27/836187027.db2.gz SQUUKBVXQOVXCN-MAUKXSAKSA-N 2 0 352.479 -0.280 20 0 FBADRP C[NH+](C)CCN1C[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+](C)C3)C2)OCC1=O ZINC001270333428 836187408 /nfs/dbraw/zinc/18/74/08/836187408.db2.gz SQUUKBVXQOVXCN-QAPCUYQASA-N 2 0 352.479 -0.280 20 0 FBADRP C[NH+](C)CCN1C[C@]2(CCN(C(=O)[C@H]3CCC[N@H+](C)C3)C2)OCC1=O ZINC001270333431 836187371 /nfs/dbraw/zinc/18/73/71/836187371.db2.gz SQUUKBVXQOVXCN-YJBOKZPZSA-N 2 0 352.479 -0.280 20 0 FBADRP C[NH+](C)CCN1C[C@@]2(F)CN(C(=O)[C@H]3CCC[N@H+](C)C3)C[C@@]2(F)C1=O ZINC001270333649 836187051 /nfs/dbraw/zinc/18/70/51/836187051.db2.gz UNPRTSZHAOZLEI-IAOVAPTHSA-N 2 0 358.433 -0.009 20 0 FBADRP C[NH+](C)CCN1C[C@@]2(F)CN(C(=O)[C@@H]3CCC[N@H+](C)C3)C[C@@]2(F)C1=O ZINC001270333651 836187234 /nfs/dbraw/zinc/18/72/34/836187234.db2.gz UNPRTSZHAOZLEI-KBRIMQKVSA-N 2 0 358.433 -0.009 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001270358562 836193042 /nfs/dbraw/zinc/19/30/42/836193042.db2.gz ORCWPEUNPBJVRA-GOSISDBHSA-N 2 0 354.495 -0.033 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001270358690 836193016 /nfs/dbraw/zinc/19/30/16/836193016.db2.gz ORCWPEUNPBJVRA-SFHVURJKSA-N 2 0 354.495 -0.033 20 0 FBADRP C[C@H](C(=O)N1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2)[NH+]1CCCC1 ZINC001270489124 836203882 /nfs/dbraw/zinc/20/38/82/836203882.db2.gz FIUPVCNSABNAHA-CRAIPNDOSA-N 2 0 352.479 -0.138 20 0 FBADRP C[C@@H](C(=O)N1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2)[NH+]1CCCC1 ZINC001270489125 836204061 /nfs/dbraw/zinc/20/40/61/836204061.db2.gz FIUPVCNSABNAHA-MAUKXSAKSA-N 2 0 352.479 -0.138 20 0 FBADRP C[C@H](C(=O)N1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2)[NH+]1CCCC1 ZINC001270489126 836203737 /nfs/dbraw/zinc/20/37/37/836203737.db2.gz FIUPVCNSABNAHA-QAPCUYQASA-N 2 0 352.479 -0.138 20 0 FBADRP C[C@@H](C(=O)N1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2)[NH+]1CCCC1 ZINC001270489127 836204030 /nfs/dbraw/zinc/20/40/30/836204030.db2.gz FIUPVCNSABNAHA-YJBOKZPZSA-N 2 0 352.479 -0.138 20 0 FBADRP C[NH+](C)CCN1C(=O)C[C@@]2(CCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1=O ZINC001270490318 836206204 /nfs/dbraw/zinc/20/62/04/836206204.db2.gz LLVYIHYGRWTXFT-KBXCAEBGSA-N 2 0 350.463 -0.133 20 0 FBADRP C[NH+](C)CCN1C(=O)C[C@]2(CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1=O ZINC001270490320 836205668 /nfs/dbraw/zinc/20/56/68/836205668.db2.gz LLVYIHYGRWTXFT-KDOFPFPSSA-N 2 0 350.463 -0.133 20 0 FBADRP C[NH+](C)CCN1C(=O)C[C@]2(CCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1=O ZINC001270490321 836206183 /nfs/dbraw/zinc/20/61/83/836206183.db2.gz LLVYIHYGRWTXFT-KSSFIOAISA-N 2 0 350.463 -0.133 20 0 FBADRP C[NH+](C)CCN1C(=O)C[C@@]2(CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1=O ZINC001270490322 836205649 /nfs/dbraw/zinc/20/56/49/836205649.db2.gz LLVYIHYGRWTXFT-RDTXWAMCSA-N 2 0 350.463 -0.133 20 0 FBADRP C[NH+](C)CCN1C[C@@]2(CC1=O)COCCN(C(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001270491960 836205455 /nfs/dbraw/zinc/20/54/55/836205455.db2.gz ZOAPABOUUCZOJV-CRAIPNDOSA-N 2 0 352.479 -0.423 20 0 FBADRP C[NH+](C)CCN1C[C@@]2(CC1=O)COCCN(C(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001270491961 836205726 /nfs/dbraw/zinc/20/57/26/836205726.db2.gz ZOAPABOUUCZOJV-MAUKXSAKSA-N 2 0 352.479 -0.423 20 0 FBADRP C[NH+](C)CCN1C[C@]2(CC1=O)COCCN(C(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001270491962 836206002 /nfs/dbraw/zinc/20/60/02/836206002.db2.gz ZOAPABOUUCZOJV-QAPCUYQASA-N 2 0 352.479 -0.423 20 0 FBADRP C[NH+](C)CCN1C[C@]2(CC1=O)COCCN(C(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001270491963 836206251 /nfs/dbraw/zinc/20/62/51/836206251.db2.gz ZOAPABOUUCZOJV-YJBOKZPZSA-N 2 0 352.479 -0.423 20 0 FBADRP CN(CC(=O)N1C[C@H]2C[C@@]2(C(=O)N2CCC([NH+](C)C)CC2)C1)C(N)=[NH2+] ZINC001270689844 836225762 /nfs/dbraw/zinc/22/57/62/836225762.db2.gz AQVKRSFHSKLLFA-SJKOYZFVSA-N 2 0 350.467 -0.787 20 0 FBADRP CN(CC(=O)N1CC[C@@H]2C[C@@]21C(=O)N1CCC([NH+](C)C)CC1)C(N)=[NH2+] ZINC001270689874 836226227 /nfs/dbraw/zinc/22/62/27/836226227.db2.gz BPQWVCBKEUIHBG-PXAZEXFGSA-N 2 0 350.467 -0.645 20 0 FBADRP CN(CC(=O)N1CC[C@H]2C[C@]21C(=O)N1CCC([NH+](C)C)CC1)C(N)=[NH2+] ZINC001270689877 836225695 /nfs/dbraw/zinc/22/56/95/836225695.db2.gz BPQWVCBKEUIHBG-YVEFUNNKSA-N 2 0 350.467 -0.645 20 0 FBADRP CC[NH+](CC)CCN(C)C(=O)C12CC(NC(=O)CN(C)C(N)=[NH2+])(C1)C2 ZINC001270690305 836226028 /nfs/dbraw/zinc/22/60/28/836226028.db2.gz FUHCMAXOIBPLRJ-UHFFFAOYSA-N 2 0 352.483 -0.349 20 0 FBADRP CC[NH+](CC)CCN(C)C(=O)[C@]12C[C@H]1CCN2C(=O)CN(C)C(N)=[NH2+] ZINC001270690656 836226052 /nfs/dbraw/zinc/22/60/52/836226052.db2.gz HBKQQVNSXSVIFP-DYVFJYSZSA-N 2 0 352.483 -0.397 20 0 FBADRP CC[NH+](CC)CCN(C)C(=O)[C@@]12C[C@@H]1CCN2C(=O)CN(C)C(N)=[NH2+] ZINC001270690658 836225963 /nfs/dbraw/zinc/22/59/63/836225963.db2.gz HBKQQVNSXSVIFP-SUMWQHHRSA-N 2 0 352.483 -0.397 20 0 FBADRP CN(CC(=O)NC12CC(C(=O)N3CCC([NH+](C)C)CC3)(C1)C2)C(N)=[NH2+] ZINC001270691049 836227219 /nfs/dbraw/zinc/22/72/19/836227219.db2.gz KALCIFWDUNKZGX-UHFFFAOYSA-N 2 0 350.467 -0.597 20 0 FBADRP CN(C)C(=O)C1CC[NH+](C2CCN(C(=O)CN(C)C(N)=[NH2+])CC2)CC1 ZINC001270691535 836227452 /nfs/dbraw/zinc/22/74/52/836227452.db2.gz NCFQEMAKPKVHLP-UHFFFAOYSA-N 2 0 352.483 -0.397 20 0 FBADRP CC[NH+](CC)CCN(C)C(=O)[C@H]1CC12CN(C(=O)CN(C)C(N)=[NH2+])C2 ZINC001270691879 836227905 /nfs/dbraw/zinc/22/79/05/836227905.db2.gz SQHHFJIASLMPPZ-CYBMUJFWSA-N 2 0 352.483 -0.540 20 0 FBADRP CC[NH+](CC)CCN(C)C(=O)[C@@H]1CC12CN(C(=O)CN(C)C(N)=[NH2+])C2 ZINC001270691884 836227891 /nfs/dbraw/zinc/22/78/91/836227891.db2.gz SQHHFJIASLMPPZ-ZDUSSCGKSA-N 2 0 352.483 -0.540 20 0 FBADRP CN(CC(=O)N1CC2(C[C@@H]2C(=O)N2CCC([NH+](C)C)CC2)C1)C(N)=[NH2+] ZINC001270692144 836227800 /nfs/dbraw/zinc/22/78/00/836227800.db2.gz VJYXCMFIVDZCET-CYBMUJFWSA-N 2 0 350.467 -0.787 20 0 FBADRP CN(CC(=O)N1CC2(C[C@H]2C(=O)N2CCC([NH+](C)C)CC2)C1)C(N)=[NH2+] ZINC001270692145 836227901 /nfs/dbraw/zinc/22/79/01/836227901.db2.gz VJYXCMFIVDZCET-ZDUSSCGKSA-N 2 0 350.467 -0.787 20 0 FBADRP CC[NH+](CC)CCN(C)C(=O)[C@@]12C[C@@H]1CN(C(=O)CN(C)C(N)=[NH2+])C2 ZINC001270692734 836226173 /nfs/dbraw/zinc/22/61/73/836226173.db2.gz ZWYNFDQOWYUXRM-CXAGYDPISA-N 2 0 352.483 -0.540 20 0 FBADRP CCCNC(=O)NC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001270968005 836255755 /nfs/dbraw/zinc/25/57/55/836255755.db2.gz NOBCWVBJTWPGKK-BFHYXJOUSA-N 2 0 355.483 -0.001 20 0 FBADRP CCCNC(=O)NC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001270968006 836256178 /nfs/dbraw/zinc/25/61/78/836256178.db2.gz NOBCWVBJTWPGKK-MGPQQGTHSA-N 2 0 355.483 -0.001 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]C[C@@H](O)COC)CCOCC2)CC[N@@H+]1C ZINC001271038533 836258738 /nfs/dbraw/zinc/25/87/38/836258738.db2.gz NWEBVPDXWKBZQS-OWCLPIDISA-N 2 0 357.495 -0.021 20 0 FBADRP CNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001271044854 836257737 /nfs/dbraw/zinc/25/77/37/836257737.db2.gz UGOHKXPJHSHPEU-KFWWJZLASA-N 2 0 356.467 -0.951 20 0 FBADRP CNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001271044856 836258689 /nfs/dbraw/zinc/25/86/89/836258689.db2.gz UGOHKXPJHSHPEU-ZNMIVQPWSA-N 2 0 356.467 -0.951 20 0 FBADRP C[NH+](C)CCN1C[C@]2(CCN(C(=O)CC[NH+]3CCCC3)C2)OCC1=O ZINC001271061747 836260873 /nfs/dbraw/zinc/26/08/73/836260873.db2.gz QYHIUKJBCVODFC-GOSISDBHSA-N 2 0 352.479 -0.136 20 0 FBADRP C[NH+](C)CCN1C[C@@]2(CCN(C(=O)CC[NH+]3CCCC3)C2)OCC1=O ZINC001271061748 836260730 /nfs/dbraw/zinc/26/07/30/836260730.db2.gz QYHIUKJBCVODFC-SFHVURJKSA-N 2 0 352.479 -0.136 20 0 FBADRP C[NH+](C)CCN1C[C@@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)OCC1=O ZINC001271140663 836283341 /nfs/dbraw/zinc/28/33/41/836283341.db2.gz VOEJJSHSOLFWTI-CRAIPNDOSA-N 2 0 352.479 -0.138 20 0 FBADRP C[NH+](C)CCN1C[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)OCC1=O ZINC001271140664 836283188 /nfs/dbraw/zinc/28/31/88/836283188.db2.gz VOEJJSHSOLFWTI-MAUKXSAKSA-N 2 0 352.479 -0.138 20 0 FBADRP C[NH+](C)CCN1C[C@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)OCC1=O ZINC001271140665 836282703 /nfs/dbraw/zinc/28/27/03/836282703.db2.gz VOEJJSHSOLFWTI-QAPCUYQASA-N 2 0 352.479 -0.138 20 0 FBADRP C[NH+](C)CCN1C[C@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)OCC1=O ZINC001271140666 836283669 /nfs/dbraw/zinc/28/36/69/836283669.db2.gz VOEJJSHSOLFWTI-YJBOKZPZSA-N 2 0 352.479 -0.138 20 0 FBADRP C[C@@H]1[C@H](C(=O)NC[C@]2(O)CC[NH+](CCNC(=O)C3CC3)C2)CC[N@@H+]1C ZINC001271145579 836286957 /nfs/dbraw/zinc/28/69/57/836286957.db2.gz NKOGRJDSNKNXDE-DDUZABMNSA-N 2 0 352.479 -0.594 20 0 FBADRP C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CC[NH+](CCNC(=O)C3CC3)C2)CC[N@@H+]1C ZINC001271145580 836285832 /nfs/dbraw/zinc/28/58/32/836285832.db2.gz NKOGRJDSNKNXDE-SIIHOXLZSA-N 2 0 352.479 -0.594 20 0 FBADRP C[C@@H]1[C@H](C(=O)NCC2(O)CN(C[C@@H]3CCNC(=O)CC3)C2)CC[N@@H+]1C ZINC001271289790 836337422 /nfs/dbraw/zinc/33/74/22/836337422.db2.gz SUQCBRAQXKMGGC-QLFBSQMISA-N 2 0 352.479 -0.594 20 0 FBADRP C[C@@H]1[C@H](C(=O)NCC2(O)CN(C[C@H]3CCNC(=O)CC3)C2)CC[N@@H+]1C ZINC001271289791 836338437 /nfs/dbraw/zinc/33/84/37/836338437.db2.gz SUQCBRAQXKMGGC-RBSFLKMASA-N 2 0 352.479 -0.594 20 0 FBADRP C[C@@H](C(=O)N1C[C@@]2(F)C(=O)N(Cc3cncn3C)C[C@@]2(F)C1)[NH+](C)C ZINC001271634141 836378611 /nfs/dbraw/zinc/37/86/11/836378611.db2.gz IAUOUUOORRIZPQ-IUIKQTSFSA-N 2 0 355.389 -0.029 20 0 FBADRP CC[N@@H+]1CCC[C@H](C(=O)N2CC3(C2)COCC(=O)N3CC[NH+](C)C)C1 ZINC001271652128 836380626 /nfs/dbraw/zinc/38/06/26/836380626.db2.gz IYOGZUMIYJFLQH-HNNXBMFYSA-N 2 0 352.479 -0.280 20 0 FBADRP CC[N@@H+]1CCC[C@@H](C(=O)N2CC3(C2)COCC(=O)N3CC[NH+](C)C)C1 ZINC001271652129 836380504 /nfs/dbraw/zinc/38/05/04/836380504.db2.gz IYOGZUMIYJFLQH-OAHLLOKOSA-N 2 0 352.479 -0.280 20 0 FBADRP CC[N@@H+]1CCC[C@H](C(=O)N2CC3(C2)CN(CC[NH+](C)C)C(=O)CO3)C1 ZINC001271653527 836381632 /nfs/dbraw/zinc/38/16/32/836381632.db2.gz UEIOCAYIXMVROJ-HNNXBMFYSA-N 2 0 352.479 -0.280 20 0 FBADRP CC[N@@H+]1CCC[C@@H](C(=O)N2CC3(C2)CN(CC[NH+](C)C)C(=O)CO3)C1 ZINC001271653529 836381685 /nfs/dbraw/zinc/38/16/85/836381685.db2.gz UEIOCAYIXMVROJ-OAHLLOKOSA-N 2 0 352.479 -0.280 20 0 FBADRP C[NH+](C)CCN1C(=O)COCC12CN(C(=O)C[C@@H]1CCC[N@H+](C)C1)C2 ZINC001271657663 836381304 /nfs/dbraw/zinc/38/13/04/836381304.db2.gz BLJVCXAWOBQIAL-HNNXBMFYSA-N 2 0 352.479 -0.280 20 0 FBADRP C[NH+](C)CCN1C(=O)COCC12CN(C(=O)C[C@H]1CCC[N@H+](C)C1)C2 ZINC001271657665 836381888 /nfs/dbraw/zinc/38/18/88/836381888.db2.gz BLJVCXAWOBQIAL-OAHLLOKOSA-N 2 0 352.479 -0.280 20 0 FBADRP C[NH+](C)CCN1CC2(CN(C(=O)C[C@@H]3CCC[N@H+](C)C3)C2)OCC1=O ZINC001271658430 836381108 /nfs/dbraw/zinc/38/11/08/836381108.db2.gz PKHZXIDNVDJQQD-HNNXBMFYSA-N 2 0 352.479 -0.280 20 0 FBADRP C[NH+](C)CCN1CC2(CN(C(=O)C[C@H]3CCC[N@H+](C)C3)C2)OCC1=O ZINC001271658431 836381732 /nfs/dbraw/zinc/38/17/32/836381732.db2.gz PKHZXIDNVDJQQD-OAHLLOKOSA-N 2 0 352.479 -0.280 20 0 FBADRP CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC(=O)N1CCOCC1 ZINC001271836706 836400693 /nfs/dbraw/zinc/40/06/93/836400693.db2.gz BZMDZBVTFSVLMD-BZUAXINKSA-N 2 0 354.495 -0.084 20 0 FBADRP CC(C)[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC(=O)N1CCOCC1 ZINC001271836707 836400800 /nfs/dbraw/zinc/40/08/00/836400800.db2.gz BZMDZBVTFSVLMD-OAGGEKHMSA-N 2 0 354.495 -0.084 20 0 FBADRP CCCNC(=O)NC(=O)CN(C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001272020014 836420028 /nfs/dbraw/zinc/42/00/28/836420028.db2.gz FAHAUTNUUJDIBV-ZIAGYGMSSA-N 2 0 355.483 -0.047 20 0 FBADRP C[C@@H]1[C@H](C(=O)N(C)CCN(C)CC(=O)NC(=O)NC2CC2)CC[N@@H+]1C ZINC001272021322 836421542 /nfs/dbraw/zinc/42/15/42/836421542.db2.gz ZFNNADBUGOVQIV-TZMCWYRMSA-N 2 0 353.467 -0.295 20 0 FBADRP C[C@@H]1[C@H](C(=O)N(CCO)CC[NH2+]Cc2ccn(C)c(=O)c2)CC[N@@H+]1C ZINC001272169240 836496026 /nfs/dbraw/zinc/49/60/26/836496026.db2.gz QYZGEOBLSMJQCZ-GDBMZVCRSA-N 2 0 350.463 -0.364 20 0 FBADRP C[C@@H]1[C@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)Nc2nccs2)CC[N@@H+]1C ZINC001272413374 836982723 /nfs/dbraw/zinc/98/27/23/836982723.db2.gz BYBOGOHJOFKPAG-GRYCIOLGSA-N 2 0 355.464 -0.512 20 0 FBADRP C[C@@H]1[C@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)Nc2nccs2)CC[N@@H+]1C ZINC001272413375 836982769 /nfs/dbraw/zinc/98/27/69/836982769.db2.gz BYBOGOHJOFKPAG-IJLUTSLNSA-N 2 0 355.464 -0.512 20 0 FBADRP Cc1cc(NC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)no1 ZINC001272415456 836983305 /nfs/dbraw/zinc/98/33/05/836983305.db2.gz XUIWJQFQMQKBQN-FRRDWIJNSA-N 2 0 353.423 -0.672 20 0 FBADRP Cc1cc(NC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)no1 ZINC001272415457 836983713 /nfs/dbraw/zinc/98/37/13/836983713.db2.gz XUIWJQFQMQKBQN-JHJVBQTASA-N 2 0 353.423 -0.672 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)NCC(C)(C)C)CC[N@@H+]1C ZINC001272425049 836988752 /nfs/dbraw/zinc/98/87/52/836988752.db2.gz GYBIVJNDYKHSBH-QLFBSQMISA-N 2 0 356.511 -0.054 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCC(C)(C)C)CC[N@@H+]1C ZINC001272425050 836988477 /nfs/dbraw/zinc/98/84/77/836988477.db2.gz GYBIVJNDYKHSBH-SOUVJXGZSA-N 2 0 356.511 -0.054 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC2CCCC2)CC[N@@H+]1C ZINC001272425471 836988244 /nfs/dbraw/zinc/98/82/44/836988244.db2.gz MXOYPQKKWZFEHH-HRCADAONSA-N 2 0 354.495 -0.158 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)NC2CCCC2)CC[N@@H+]1C ZINC001272425472 836989172 /nfs/dbraw/zinc/98/91/72/836989172.db2.gz MXOYPQKKWZFEHH-OWCLPIDISA-N 2 0 354.495 -0.158 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2ccc(OC)nn2)CC[N@@H+]1C ZINC001272426998 836988524 /nfs/dbraw/zinc/98/85/24/836988524.db2.gz YKZGAMXDAOSAAW-QLFBSQMISA-N 2 0 351.451 -0.218 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(OC)nn2)CC[N@@H+]1C ZINC001272426999 836988345 /nfs/dbraw/zinc/98/83/45/836988345.db2.gz YKZGAMXDAOSAAW-SOUVJXGZSA-N 2 0 351.451 -0.218 20 0 FBADRP CC(C)[N@@H+]1CC[C@H](C(=O)N2CC3(C2)CN(CC[NH+](C)C)C(=O)CO3)C1 ZINC001272820415 837370159 /nfs/dbraw/zinc/37/01/59/837370159.db2.gz HMPQVMIPAZAULC-HNNXBMFYSA-N 2 0 352.479 -0.282 20 0 FBADRP CC(C)[N@@H+]1CC[C@@H](C(=O)N2CC3(C2)CN(CC[NH+](C)C)C(=O)CO3)C1 ZINC001272820416 837371268 /nfs/dbraw/zinc/37/12/68/837371268.db2.gz HMPQVMIPAZAULC-OAHLLOKOSA-N 2 0 352.479 -0.282 20 0 FBADRP C[NH+](C)CCN1C(=O)COCC12CN(C(=O)C1(C)CC[NH+](C)CC1)C2 ZINC001272820632 837371035 /nfs/dbraw/zinc/37/10/35/837371035.db2.gz KIHWUCDXOOXDTQ-UHFFFAOYSA-N 2 0 352.479 -0.280 20 0 FBADRP C[NH+](C)CCN1CC2(CN(C(=O)C3(C)CC[NH+](C)CC3)C2)OCC1=O ZINC001272821179 837370541 /nfs/dbraw/zinc/37/05/41/837370541.db2.gz PMSBTLDKLNGMCF-UHFFFAOYSA-N 2 0 352.479 -0.280 20 0 FBADRP CC(C)[N@@H+]1CC[C@H](C(=O)N2CC3(C2)COCC(=O)N3CC[NH+](C)C)C1 ZINC001272822327 837370743 /nfs/dbraw/zinc/37/07/43/837370743.db2.gz XJIONTYLRIWSIC-HNNXBMFYSA-N 2 0 352.479 -0.282 20 0 FBADRP CC(C)[N@@H+]1CC[C@@H](C(=O)N2CC3(C2)COCC(=O)N3CC[NH+](C)C)C1 ZINC001272822329 837370227 /nfs/dbraw/zinc/37/02/27/837370227.db2.gz XJIONTYLRIWSIC-OAHLLOKOSA-N 2 0 352.479 -0.282 20 0 FBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001272830340 837388724 /nfs/dbraw/zinc/38/87/24/837388724.db2.gz HEDBANJVJFCCMW-HNNXBMFYSA-N 2 0 352.479 -0.138 20 0 FBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001272830342 837387837 /nfs/dbraw/zinc/38/78/37/837387837.db2.gz HEDBANJVJFCCMW-OAHLLOKOSA-N 2 0 352.479 -0.138 20 0 FBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC2(C1)COCC(=O)N2CC[NH+](C)C ZINC001272832527 837391262 /nfs/dbraw/zinc/39/12/62/837391262.db2.gz WIAFVOOJCFHRNN-HNNXBMFYSA-N 2 0 352.479 -0.138 20 0 FBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC2(C1)COCC(=O)N2CC[NH+](C)C ZINC001272832528 837391188 /nfs/dbraw/zinc/39/11/88/837391188.db2.gz WIAFVOOJCFHRNN-OAHLLOKOSA-N 2 0 352.479 -0.138 20 0 FBADRP C[NH+](C)CCN1C(=O)COCC12CN(C(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001272832529 837391110 /nfs/dbraw/zinc/39/11/10/837391110.db2.gz WJBLXXVNMGNYRL-HNNXBMFYSA-N 2 0 350.463 -0.670 20 0 FBADRP C[NH+](C)CCN1C(=O)COCC12CN(C(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001272832530 837391318 /nfs/dbraw/zinc/39/13/18/837391318.db2.gz WJBLXXVNMGNYRL-OAHLLOKOSA-N 2 0 350.463 -0.670 20 0 FBADRP C[NH+](C)CCN1CC2(CN(C(=O)CCC[NH+]3CCCC3)C2)OCC1=O ZINC001272832584 837391390 /nfs/dbraw/zinc/39/13/90/837391390.db2.gz KOWBSCKTFBUGST-UHFFFAOYSA-N 2 0 352.479 -0.136 20 0 FBADRP C[NH+](C)CCN1CC2(CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)OCC1=O ZINC001272832772 837390268 /nfs/dbraw/zinc/39/02/68/837390268.db2.gz ZBZKDCQFIRABJA-HNNXBMFYSA-N 2 0 350.463 -0.670 20 0 FBADRP C[NH+](C)CCN1CC2(CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)OCC1=O ZINC001272832831 837389992 /nfs/dbraw/zinc/38/99/92/837389992.db2.gz ZBZKDCQFIRABJA-OAHLLOKOSA-N 2 0 350.463 -0.670 20 0 FBADRP C[NH+](C)CCN1C(=O)COCC12CN(C(=O)CCC[NH+]1CCCC1)C2 ZINC001272833993 837394249 /nfs/dbraw/zinc/39/42/49/837394249.db2.gz SXFZPYYWLOTKKL-UHFFFAOYSA-N 2 0 352.479 -0.136 20 0 FBADRP C[NH+](C)CCN1CC[C@@]2(CCCN2C(=O)C2(O)CC[NH+](C)CC2)C1=O ZINC001272836857 837395401 /nfs/dbraw/zinc/39/54/01/837395401.db2.gz PFVQAJMSFBNOIV-KRWDZBQOSA-N 2 0 352.479 -0.402 20 0 FBADRP C[NH+](C)CCN1CC[C@]2(CCCN2C(=O)C2(O)CC[NH+](C)CC2)C1=O ZINC001272836858 837395631 /nfs/dbraw/zinc/39/56/31/837395631.db2.gz PFVQAJMSFBNOIV-QGZVFWFLSA-N 2 0 352.479 -0.402 20 0 FBADRP C[NH+](C)CCN1CC[C@@]2(CCN(C(=O)C3(O)CC[NH+](C)CC3)C2)C1=O ZINC001272836975 837396465 /nfs/dbraw/zinc/39/64/65/837396465.db2.gz QHVJNBQEOBWCSY-KRWDZBQOSA-N 2 0 352.479 -0.544 20 0 FBADRP C[NH+](C)CCN1CC[C@]2(CCN(C(=O)C3(O)CC[NH+](C)CC3)C2)C1=O ZINC001272836978 837396190 /nfs/dbraw/zinc/39/61/90/837396190.db2.gz QHVJNBQEOBWCSY-QGZVFWFLSA-N 2 0 352.479 -0.544 20 0 FBADRP C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)C1(O)CC[NH+](C)CC1 ZINC001272837290 837396485 /nfs/dbraw/zinc/39/64/85/837396485.db2.gz RXNDZDTYJGCSBO-HUUCEWRRSA-N 2 0 352.479 -0.403 20 0 FBADRP C[NH+](C)CCN1C[C@]2(CC1=O)COCCN(C(=O)C1([NH+](C)C)CC1)C2 ZINC001272903757 837419030 /nfs/dbraw/zinc/41/90/30/837419030.db2.gz BSSQRBKLNQAXOS-KRWDZBQOSA-N 2 0 352.479 -0.280 20 0 FBADRP C[NH+](C)CCN1C[C@@]2(CC1=O)COCCN(C(=O)C1([NH+](C)C)CC1)C2 ZINC001272903758 837419286 /nfs/dbraw/zinc/41/92/86/837419286.db2.gz BSSQRBKLNQAXOS-QGZVFWFLSA-N 2 0 352.479 -0.280 20 0 FBADRP C[NH+](C)CCN1C(=O)COCC12CN(C(=O)C13CC[NH+](CC1)CC3)C2 ZINC001273043903 837590170 /nfs/dbraw/zinc/59/01/70/837590170.db2.gz GBSCCNXNGQKZJI-UHFFFAOYSA-N 2 0 350.463 -0.526 20 0 FBADRP C[NH+](C)CCN1CC2(CN(C(=O)C34CC[NH+](CC3)CC4)C2)OCC1=O ZINC001273046020 837592155 /nfs/dbraw/zinc/59/21/55/837592155.db2.gz QSOZJFHZDVEMOQ-UHFFFAOYSA-N 2 0 350.463 -0.526 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1C(=O)N1CC[C@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001273128019 837687834 /nfs/dbraw/zinc/68/78/34/837687834.db2.gz ISCYTGUWLZOFTI-CRAIPNDOSA-N 2 0 351.495 -0.755 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1C(=O)N1CC[C@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001273128020 837688409 /nfs/dbraw/zinc/68/84/09/837688409.db2.gz ISCYTGUWLZOFTI-MAUKXSAKSA-N 2 0 351.495 -0.755 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1C(=O)N1CC[C@@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001273128021 837688216 /nfs/dbraw/zinc/68/82/16/837688216.db2.gz ISCYTGUWLZOFTI-QAPCUYQASA-N 2 0 351.495 -0.755 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1C(=O)N1CC[C@@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001273128022 837688656 /nfs/dbraw/zinc/68/86/56/837688656.db2.gz ISCYTGUWLZOFTI-YJBOKZPZSA-N 2 0 351.495 -0.755 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1C(=O)N1CC[C@@H]2[C@H]1CCC(=O)N2CC[NH+](C)C ZINC001273128657 837689528 /nfs/dbraw/zinc/68/95/28/837689528.db2.gz MXVNOAJFEBWKFG-BZUAXINKSA-N 2 0 351.495 -0.614 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1C(=O)N1CC[C@@H]2[C@H]1CCC(=O)N2CC[NH+](C)C ZINC001273128658 837689720 /nfs/dbraw/zinc/68/97/20/837689720.db2.gz MXVNOAJFEBWKFG-OAGGEKHMSA-N 2 0 351.495 -0.614 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1C(=O)N1CCC[C@]12CCN(CC[NH+](C)C)C2=O ZINC001273129584 837689990 /nfs/dbraw/zinc/68/99/90/837689990.db2.gz UBDGWFVMNYPXSU-CRAIPNDOSA-N 2 0 351.495 -0.613 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1C(=O)N1CCC[C@]12CCN(CC[NH+](C)C)C2=O ZINC001273129586 837689241 /nfs/dbraw/zinc/68/92/41/837689241.db2.gz UBDGWFVMNYPXSU-MAUKXSAKSA-N 2 0 351.495 -0.613 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1C(=O)N1CCC[C@@]12CCN(CC[NH+](C)C)C2=O ZINC001273129589 837690089 /nfs/dbraw/zinc/69/00/89/837690089.db2.gz UBDGWFVMNYPXSU-QAPCUYQASA-N 2 0 351.495 -0.613 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1C(=O)N1CCC[C@@]12CCN(CC[NH+](C)C)C2=O ZINC001273129592 837689770 /nfs/dbraw/zinc/68/97/70/837689770.db2.gz UBDGWFVMNYPXSU-YJBOKZPZSA-N 2 0 351.495 -0.613 20 0 FBADRP CC(C)[C@H](C(=O)N1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2)[NH+](C)C ZINC001273182331 837802010 /nfs/dbraw/zinc/80/20/10/837802010.db2.gz BCNXSMLUGHNEGX-AEFFLSMTSA-N 2 0 354.495 -0.036 20 0 FBADRP CC(C)[C@H](C(=O)N1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2)[NH+](C)C ZINC001273182332 837801902 /nfs/dbraw/zinc/80/19/02/837801902.db2.gz BCNXSMLUGHNEGX-SJLPKXTDSA-N 2 0 354.495 -0.036 20 0 FBADRP C[NH+](C)CCN1C[C@]2(CCN(C(=O)[C@H]3C[C@@H]([NH+](C)C)C3)C2)OCC1=O ZINC001273192950 837845350 /nfs/dbraw/zinc/84/53/50/837845350.db2.gz VBVQJDNIHKEKQC-DAYGRLMNSA-N 2 0 352.479 -0.282 20 0 FBADRP C[NH+](C)CCN1C[C@@]2(CCN(C(=O)[C@H]3C[C@@H]([NH+](C)C)C3)C2)OCC1=O ZINC001273192953 837845698 /nfs/dbraw/zinc/84/56/98/837845698.db2.gz VBVQJDNIHKEKQC-RVKKMQEKSA-N 2 0 352.479 -0.282 20 0 FBADRP C[NH+](C)CCN1C[C@@]2(F)CN(C(=O)[C@H]3C[C@@H]([NH+](C)C)C3)C[C@@]2(F)C1=O ZINC001273193275 837849227 /nfs/dbraw/zinc/84/92/27/837849227.db2.gz VZAWMBWSKGKGQL-DLTLXFJOSA-N 2 0 358.433 -0.011 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CCO[C@H](C[NH2+]CCNC(=O)C3CC3)C2)CC[N@@H+]1C ZINC001273259681 839139239 /nfs/dbraw/zinc/13/92/39/839139239.db2.gz ARELCQZMIZGZEG-FVQBIDKESA-N 2 0 352.479 -0.330 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CCO[C@@H](C[NH2+]CCNC(=O)C3CC3)C2)CC[N@@H+]1C ZINC001273259682 839138441 /nfs/dbraw/zinc/13/84/41/839138441.db2.gz ARELCQZMIZGZEG-VNQPRFMTSA-N 2 0 352.479 -0.330 20 0 FBADRP C[NH+](C)CCN1CCC12CN(C(=O)CC[NH+]1CCC(C(N)=O)CC1)C2 ZINC001273310389 839171856 /nfs/dbraw/zinc/17/18/56/839171856.db2.gz IIQNTOFWIPVPLE-UHFFFAOYSA-N 2 0 351.495 -0.578 20 0 FBADRP C[NH+](C)CCN1CC2(C1)CN(C(=O)CC[NH+]1CCC(C(N)=O)CC1)C2 ZINC001273310637 839171909 /nfs/dbraw/zinc/17/19/09/839171909.db2.gz LKMWPCBLFFNRBA-UHFFFAOYSA-N 2 0 351.495 -0.720 20 0 FBADRP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N2C(=O)CC[NH+]1CCC(C(N)=O)CC1 ZINC001273310842 839171751 /nfs/dbraw/zinc/17/17/51/839171751.db2.gz NKFLPWVXWPKKBN-IYBDPMFKSA-N 2 0 351.495 -0.580 20 0 FBADRP CC[N@H+](C)CC(=O)N1CCN(CC[NH+](C)C)C[C@]2(CCCC(=O)N2)C1 ZINC001273354271 839206687 /nfs/dbraw/zinc/20/66/87/839206687.db2.gz OTWCSEKSBILEGX-GOSISDBHSA-N 2 0 353.511 -0.317 20 0 FBADRP CC[N@H+](C)CC(=O)N1CCN(CC[NH+](C)C)C[C@@]2(CCCC(=O)N2)C1 ZINC001273354272 839207188 /nfs/dbraw/zinc/20/71/88/839207188.db2.gz OTWCSEKSBILEGX-SFHVURJKSA-N 2 0 353.511 -0.317 20 0 FBADRP C[NH+](C)CCNC(=O)[C@@H]1CC12CCN(C(=O)C[N@@H+]1CC[C@@H](O)C1)CC2 ZINC001273357775 839210688 /nfs/dbraw/zinc/21/06/88/839210688.db2.gz PTSHLHTXMQCQTF-CABCVRRESA-N 2 0 352.479 -0.641 20 0 FBADRP C[NH+](C)CCNC(=O)[C@@H]1CC12CCN(C(=O)C[N@@H+]1CC[C@H](O)C1)CC2 ZINC001273357776 839210141 /nfs/dbraw/zinc/21/01/41/839210141.db2.gz PTSHLHTXMQCQTF-GJZGRUSLSA-N 2 0 352.479 -0.641 20 0 FBADRP C[NH+](C)CCNC(=O)[C@H]1CC12CCN(C(=O)C[N@@H+]1CC[C@@H](O)C1)CC2 ZINC001273357777 839210545 /nfs/dbraw/zinc/21/05/45/839210545.db2.gz PTSHLHTXMQCQTF-HUUCEWRRSA-N 2 0 352.479 -0.641 20 0 FBADRP C[NH+](C)CCNC(=O)[C@H]1CC12CCN(C(=O)C[N@@H+]1CC[C@H](O)C1)CC2 ZINC001273357779 839211881 /nfs/dbraw/zinc/21/18/81/839211881.db2.gz PTSHLHTXMQCQTF-LSDHHAIUSA-N 2 0 352.479 -0.641 20 0 FBADRP C[NH+](C)CCN1CCC2(CCN(C(=O)C[N@@H+]3CC[C@H](O)C3)CC2)C1=O ZINC001273357796 839210784 /nfs/dbraw/zinc/21/07/84/839210784.db2.gz QEUXNZPIVIMCSU-HNNXBMFYSA-N 2 0 352.479 -0.544 20 0 FBADRP C[NH+](C)CCN1CCC2(CCN(C(=O)C[N@@H+]3CC[C@@H](O)C3)CC2)C1=O ZINC001273357797 839210524 /nfs/dbraw/zinc/21/05/24/839210524.db2.gz QEUXNZPIVIMCSU-OAHLLOKOSA-N 2 0 352.479 -0.544 20 0 FBADRP C[NH+](C)CCN1C[C@]2(CC1=O)CCCCN2C(=O)C[N@@H+]1CC[C@@H](O)C1 ZINC001273357952 839210294 /nfs/dbraw/zinc/21/02/94/839210294.db2.gz SWULFJFHYGQAGA-CRAIPNDOSA-N 2 0 352.479 -0.402 20 0 FBADRP C[NH+](C)CCN1C[C@]2(CC1=O)CCCCN2C(=O)C[N@@H+]1CC[C@H](O)C1 ZINC001273357953 839211150 /nfs/dbraw/zinc/21/11/50/839211150.db2.gz SWULFJFHYGQAGA-MAUKXSAKSA-N 2 0 352.479 -0.402 20 0 FBADRP C[NH+](C)CCN1C[C@@]2(CC1=O)CCCCN2C(=O)C[N@@H+]1CC[C@@H](O)C1 ZINC001273357954 839211197 /nfs/dbraw/zinc/21/11/97/839211197.db2.gz SWULFJFHYGQAGA-QAPCUYQASA-N 2 0 352.479 -0.402 20 0 FBADRP C[NH+](C)CCN1C[C@@]2(CC1=O)CCCCN2C(=O)C[N@@H+]1CC[C@H](O)C1 ZINC001273357955 839211801 /nfs/dbraw/zinc/21/18/01/839211801.db2.gz SWULFJFHYGQAGA-YJBOKZPZSA-N 2 0 352.479 -0.402 20 0 FBADRP C[NH+](C)CCN1CCC2(CCN(C(=O)[C@@H]3C[C@H](O)C[N@@H+]3C)CC2)C1=O ZINC001273361996 839214915 /nfs/dbraw/zinc/21/49/15/839214915.db2.gz AMOMTDMECMRVAW-GJZGRUSLSA-N 2 0 352.479 -0.546 20 0 FBADRP C[NH+](C)CCN1C[C@@]2(CC1=O)CCCCN2C(=O)[C@@H]1C[C@H](O)C[N@@H+]1C ZINC001273363577 839216059 /nfs/dbraw/zinc/21/60/59/839216059.db2.gz XTHHXHBFNYEBFE-MPGHIAIKSA-N 2 0 352.479 -0.403 20 0 FBADRP C[NH+](C)CCN1C[C@]2(CC1=O)CCCCN2C(=O)[C@@H]1C[C@H](O)C[N@@H+]1C ZINC001273363579 839216331 /nfs/dbraw/zinc/21/63/31/839216331.db2.gz XTHHXHBFNYEBFE-RLFYNMQTSA-N 2 0 352.479 -0.403 20 0 FBADRP C[NH+](C)CCNC(=O)[C@@H]1CC12CCN(C(=O)[C@@H]1C[C@H](O)C[N@@H+]1C)CC2 ZINC001273363661 839214971 /nfs/dbraw/zinc/21/49/71/839214971.db2.gz ZAJPHHMTNKNYCJ-KKUMJFAQSA-N 2 0 352.479 -0.642 20 0 FBADRP C[NH+](C)CCNC(=O)[C@H]1CC12CCN(C(=O)[C@@H]1C[C@H](O)C[N@@H+]1C)CC2 ZINC001273363662 839216484 /nfs/dbraw/zinc/21/64/84/839216484.db2.gz ZAJPHHMTNKNYCJ-ZNMIVQPWSA-N 2 0 352.479 -0.642 20 0 FBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCN(CC)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001273381413 839224013 /nfs/dbraw/zinc/22/40/13/839224013.db2.gz FUKJJSFAEMKSQT-BFHYXJOUSA-N 2 0 355.483 -0.001 20 0 FBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCN(CC)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001273381418 839224331 /nfs/dbraw/zinc/22/43/31/839224331.db2.gz FUKJJSFAEMKSQT-MGPQQGTHSA-N 2 0 355.483 -0.001 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N(CC)CC[NH2+][C@H](C)C(=O)NC(=O)NC)CC[N@@H+]1C ZINC001273381771 839223917 /nfs/dbraw/zinc/22/39/17/839223917.db2.gz IUAWMJODERVZRA-HZSPNIEDSA-N 2 0 355.483 -0.001 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N(CC)CC[NH2+][C@@H](C)C(=O)NC(=O)NC)CC[N@@H+]1C ZINC001273381773 839224538 /nfs/dbraw/zinc/22/45/38/839224538.db2.gz IUAWMJODERVZRA-MELADBBJSA-N 2 0 355.483 -0.001 20 0 FBADRP CC(C)[N@@H+]1CC[C@H]1C(=O)N1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273385581 839225470 /nfs/dbraw/zinc/22/54/70/839225470.db2.gz RYUSEBHUUZRNEH-MAUKXSAKSA-N 2 0 352.479 -0.139 20 0 FBADRP CC(C)[N@@H+]1CC[C@H]1C(=O)N1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273385584 839225713 /nfs/dbraw/zinc/22/57/13/839225713.db2.gz RYUSEBHUUZRNEH-YJBOKZPZSA-N 2 0 352.479 -0.139 20 0 FBADRP C[NH+](C)CCN1CC2(CN(C(=O)[C@@H]3CC[N@@H+]3C(C)(C)C)C2)OCC1=O ZINC001273403309 839233512 /nfs/dbraw/zinc/23/35/12/839233512.db2.gz CXDYIBGPOQXDMT-AWEZNQCLSA-N 2 0 352.479 -0.139 20 0 FBADRP C[NH+](C)CCN1CC2(CN(C(=O)[C@H]3CC[N@@H+]3C(C)(C)C)C2)OCC1=O ZINC001273403310 839233276 /nfs/dbraw/zinc/23/32/76/839233276.db2.gz CXDYIBGPOQXDMT-CQSZACIVSA-N 2 0 352.479 -0.139 20 0 FBADRP C[NH+](C)CCN1C(=O)COCC12CN(C(=O)[C@@H]1CC[N@@H+]1C(C)(C)C)C2 ZINC001273404426 839232884 /nfs/dbraw/zinc/23/28/84/839232884.db2.gz XQQOALCZXAVBOA-AWEZNQCLSA-N 2 0 352.479 -0.139 20 0 FBADRP C[NH+](C)CCN1C(=O)COCC12CN(C(=O)[C@H]1CC[N@@H+]1C(C)(C)C)C2 ZINC001273404428 839232989 /nfs/dbraw/zinc/23/29/89/839232989.db2.gz XQQOALCZXAVBOA-CQSZACIVSA-N 2 0 352.479 -0.139 20 0 FBADRP C[C@@H](C(=O)N1CCN(CC[NH+](C)C)C[C@]2(CCCC(=O)N2)C1)[NH+](C)C ZINC001273409717 839236308 /nfs/dbraw/zinc/23/63/08/839236308.db2.gz NUJXVHWQLXWDAF-MAUKXSAKSA-N 2 0 353.511 -0.319 20 0 FBADRP C[C@@H](C(=O)N1CCN(CC[NH+](C)C)C[C@@]2(CCCC(=O)N2)C1)[NH+](C)C ZINC001273409722 839235997 /nfs/dbraw/zinc/23/59/97/839235997.db2.gz NUJXVHWQLXWDAF-YJBOKZPZSA-N 2 0 353.511 -0.319 20 0 FBADRP CCNC(=O)NC(=O)C[N@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001273514821 840515250 /nfs/dbraw/zinc/51/52/50/840515250.db2.gz MGMDPJLEHSJYQX-ZIAGYGMSSA-N 2 0 355.483 -0.047 20 0 FBADRP CC[N@H+](C)CC(=O)N1CC2(C1)CC[C@@H](C(=O)NC1CC[NH+](C)CC1)O2 ZINC001273666302 841090509 /nfs/dbraw/zinc/09/05/09/841090509.db2.gz JXTGMIKOYJZDRT-HNNXBMFYSA-N 2 0 352.479 -0.092 20 0 FBADRP CC[N@H+](C)CC(=O)N1CC2(C1)CC[C@H](C(=O)NC1CC[NH+](C)CC1)O2 ZINC001273666303 841090132 /nfs/dbraw/zinc/09/01/32/841090132.db2.gz JXTGMIKOYJZDRT-OAHLLOKOSA-N 2 0 352.479 -0.092 20 0 FBADRP CC[N@H+](C)CC(=O)N1C[C@@H]2C(C(=O)NC3CC[NH+](C)CC3)=NO[C@@H]2C1 ZINC001273666865 841093564 /nfs/dbraw/zinc/09/35/64/841093564.db2.gz VGHHGDIIOUNESK-UONOGXRCSA-N 2 0 351.451 -0.638 20 0 FBADRP C[NH+](C)CCN1CC2(CN(C(=O)C34CCC[NH+]3CCC4)C2)OCC1=O ZINC001273869339 841707955 /nfs/dbraw/zinc/70/79/55/841707955.db2.gz AOKUJJDLNHSZGL-UHFFFAOYSA-N 2 0 350.463 -0.384 20 0 FBADRP C[NH+](C)CCN1C(=O)COCC12CN(C(=O)C13CCC[NH+]1CCC3)C2 ZINC001273871178 841707595 /nfs/dbraw/zinc/70/75/95/841707595.db2.gz WOWJIKGHFNJIBS-UHFFFAOYSA-N 2 0 350.463 -0.384 20 0 FBADRP O=C([C@@H]1C[C@H]1c1c[nH]cn1)N1CCC[C@@](CO)([NH2+]CCOCCO)C1 ZINC001273886697 841710053 /nfs/dbraw/zinc/71/00/53/841710053.db2.gz XLBMYANJVQLGRC-CKEIUWERSA-N 2 0 352.435 -0.535 20 0 FBADRP O=C([C@@H]1C[C@H]1c1c[nH]cn1)N1CCC[C@](CO)([NH2+]CCOCCO)C1 ZINC001273886698 841709500 /nfs/dbraw/zinc/70/95/00/841709500.db2.gz XLBMYANJVQLGRC-CPUCHLNUSA-N 2 0 352.435 -0.535 20 0 FBADRP C[C@@H]1[C@H](C(=O)NC2(C[NH2+]CCS(C)(=O)=O)CCOCC2)CC[N@@H+]1C ZINC001273974372 841771458 /nfs/dbraw/zinc/77/14/58/841771458.db2.gz FYYGSOCVLAXDSY-ZIAGYGMSSA-N 2 0 361.508 -0.374 20 0 FBADRP CCNC(=O)NC(=O)C[NH2+]C/C=C/CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001274036422 841791573 /nfs/dbraw/zinc/79/15/73/841791573.db2.gz NRNPIXXVXVUSAE-HYLRALAJSA-N 2 0 353.467 -0.176 20 0 FBADRP CCNC(=O)NC(=O)C[NH2+]C/C=C\CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001274036424 841791271 /nfs/dbraw/zinc/79/12/71/841791271.db2.gz NRNPIXXVXVUSAE-LAYDCRAFSA-N 2 0 353.467 -0.176 20 0 FBADRP C[NH+]1CCC(O)(C(=O)N2CCC([NH+]3CCC(C(N)=O)CC3)CC2)CC1 ZINC001274105497 841799601 /nfs/dbraw/zinc/79/96/01/841799601.db2.gz ZYHSILXVKGJZRV-UHFFFAOYSA-N 2 0 352.479 -0.369 20 0 FBADRP C[C@@H](C(=O)N1C[C@@H]2C(C(=O)NC3CC[NH+](C)CC3)=NO[C@@H]2C1)[NH+](C)C ZINC001274156492 841805443 /nfs/dbraw/zinc/80/54/43/841805443.db2.gz CUGIHAGQIGEGCW-FPMFFAJLSA-N 2 0 351.451 -0.640 20 0 FBADRP C[C@@H](C(=O)N1CC2(C1)CC[C@H](C(=O)NC1CC[NH+](C)CC1)O2)[NH+](C)C ZINC001274157202 841806139 /nfs/dbraw/zinc/80/61/39/841806139.db2.gz JZXLVLNFLGIDHZ-DZGCQCFKSA-N 2 0 352.479 -0.093 20 0 FBADRP C[C@@H](C(=O)N1CC2(C1)CC[C@@H](C(=O)NC1CC[NH+](C)CC1)O2)[NH+](C)C ZINC001274157203 841806185 /nfs/dbraw/zinc/80/61/85/841806185.db2.gz JZXLVLNFLGIDHZ-ZFWWWQNUSA-N 2 0 352.479 -0.093 20 0 FBADRP CC[NH+]1CCN(CC(=O)N2C[C@@H]3COC[C@H](C2)N3CC[NH+](C)C)CC1 ZINC001274368891 841838310 /nfs/dbraw/zinc/83/83/10/841838310.db2.gz AAAJLASMZQERHS-CALCHBBNSA-N 2 0 353.511 -0.903 20 0 FBADRP CC[NH+]1CCN(CC(=O)N2C[C@@H]3OCCN(CC[NH+](C)C)[C@H]3C2)CC1 ZINC001274370435 841838354 /nfs/dbraw/zinc/83/83/54/841838354.db2.gz QDMBTSAUCGLIHY-IRXDYDNUSA-N 2 0 353.511 -0.903 20 0 FBADRP CC[NH+]1CCN(CC(=O)N2C[C@@H]3[C@H](C2)OCCN3CC[NH+](C)C)CC1 ZINC001274370438 841838031 /nfs/dbraw/zinc/83/80/31/841838031.db2.gz QDMBTSAUCGLIHY-SJORKVTESA-N 2 0 353.511 -0.903 20 0 FBADRP CC[NH+]1CCN(CC(=O)N2C[C@H]3CN(CC[NH+](C)C)C[C@@H](C2)O3)CC1 ZINC001274371078 841838561 /nfs/dbraw/zinc/83/85/61/841838561.db2.gz VOMRGVGCWMAARW-CALCHBBNSA-N 2 0 353.511 -0.903 20 0 FBADRP CC[C@@H]([NH2+]CC1(O)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1)C(N)=O ZINC001274520289 841855113 /nfs/dbraw/zinc/85/51/13/841855113.db2.gz HMVUFGLFCNMUPK-RRFJBIMHSA-N 2 0 354.495 -0.076 20 0 FBADRP CC[C@H]([NH2+]CC1(O)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1)C(N)=O ZINC001274520291 841855346 /nfs/dbraw/zinc/85/53/46/841855346.db2.gz HMVUFGLFCNMUPK-SOUVJXGZSA-N 2 0 354.495 -0.076 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CCC(O)(C[NH2+]CCn3cncn3)CC2)CC[N@@H+]1C ZINC001274520323 841855371 /nfs/dbraw/zinc/85/53/71/841855371.db2.gz IMJMFVKNHCOFSP-HUUCEWRRSA-N 2 0 350.467 -0.439 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N2CCC(O)(C[NH2+][C@H](C)C(=O)NC)CC2)CC[N@@H+]1C ZINC001274520671 841855142 /nfs/dbraw/zinc/85/51/42/841855142.db2.gz NQTVNTXTWRJQQH-QLFBSQMISA-N 2 0 354.495 -0.206 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N2CCC(O)(C[NH2+][C@@H](C)C(=O)NC)CC2)CC[N@@H+]1C ZINC001274520673 841854951 /nfs/dbraw/zinc/85/49/51/841854951.db2.gz NQTVNTXTWRJQQH-SOUVJXGZSA-N 2 0 354.495 -0.206 20 0 FBADRP C[C@H](C[NH2+]CC(=O)N(C)C)NC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001274858229 841885558 /nfs/dbraw/zinc/88/55/58/841885558.db2.gz KUKNWMCQVIHGFC-KFWWJZLASA-N 2 0 356.467 -0.951 20 0 FBADRP CN1C[C@@H](O)C[C@H]1C(=O)N1CCC[C@]2(CN(CC[NH+](C)C)CCO2)C1 ZINC001274907192 841890368 /nfs/dbraw/zinc/89/03/68/841890368.db2.gz BTEXSBSQAVEDHQ-BQFCYCMXSA-N 2 0 354.495 -0.694 20 0 FBADRP CN1C[C@@H](O)C[C@H]1C(=O)N1CCC[C@@]2(CN(CC[NH+](C)C)CCO2)C1 ZINC001274907193 841891223 /nfs/dbraw/zinc/89/12/23/841891223.db2.gz BTEXSBSQAVEDHQ-XYJFISCASA-N 2 0 354.495 -0.694 20 0 FBADRP CN(C)C(=O)C[N@H+]1CC[C@H]2CN(C(=O)[C@@H]3C[C@H](O)C[NH+]3C)C[C@H]2CC1 ZINC001274907252 841891389 /nfs/dbraw/zinc/89/13/89/841891389.db2.gz CTBAZXTWMXRNGU-FZKCQIBNSA-N 2 0 352.479 -0.690 20 0 FBADRP CN(C)C(=O)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H](O)C[NH+]1C)CC2 ZINC001274908819 841890207 /nfs/dbraw/zinc/89/02/07/841890207.db2.gz PTNFQTMNHCEONL-GJZGRUSLSA-N 2 0 352.479 -0.546 20 0 FBADRP COCCOC[N@H+]1CC[C@H]2CN(C(=O)[C@@H]3C[C@H](O)C[NH+]3C)C[C@H]2CC1 ZINC001274909321 841892311 /nfs/dbraw/zinc/89/23/11/841892311.db2.gz WGWBNEWFWAWUBJ-YVSFHVDLSA-N 2 0 355.479 -0.158 20 0 FBADRP COCCOCN1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[C@H](O)CN1C)C2 ZINC001274909542 841892900 /nfs/dbraw/zinc/89/29/00/841892900.db2.gz ZAFNYAGMVAEJIJ-BQFCYCMXSA-N 2 0 355.479 -0.014 20 0 FBADRP COCCOCN1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[C@H](O)CN1C)C2 ZINC001274909547 841892657 /nfs/dbraw/zinc/89/26/57/841892657.db2.gz ZAFNYAGMVAEJIJ-XYJFISCASA-N 2 0 355.479 -0.014 20 0 FBADRP C[C@@H]1[C@H](C(=O)NC2(CO)CCN(Cc3cnnn3C)CC2)CC[N@@H+]1C ZINC001274910582 841892092 /nfs/dbraw/zinc/89/20/92/841892092.db2.gz OWIRPQWKNJIHPG-UKRRQHHQSA-N 2 0 350.467 -0.402 20 0 FBADRP COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@H+](C)CCN1C ZINC001275172252 841921936 /nfs/dbraw/zinc/92/19/36/841921936.db2.gz SYFVSXBWWVZRBE-HMQMGEFJSA-N 2 0 354.495 -0.036 20 0 FBADRP COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](C)CCN1C ZINC001275172253 841921903 /nfs/dbraw/zinc/92/19/03/841921903.db2.gz SYFVSXBWWVZRBE-NPYXIHBLSA-N 2 0 354.495 -0.036 20 0 FBADRP CN(C)CC[N@H+]1CC[C@H]2CN(C(=O)[C@H]3C[NH+](C)CCN3C)C[C@H]2CC1 ZINC001275176115 841921975 /nfs/dbraw/zinc/92/19/75/841921975.db2.gz GWWOOIOROOGTMI-FGTMMUONSA-N 2 0 351.539 -0.036 20 0 FBADRP CN(C)CC[N@H+]1CC[C@H]2CN(C(=O)[C@@H]3C[NH+](C)CCN3C)C[C@H]2CC1 ZINC001275176117 841921355 /nfs/dbraw/zinc/92/13/55/841921355.db2.gz GWWOOIOROOGTMI-KSZLIROESA-N 2 0 351.539 -0.036 20 0 FBADRP C[N@@H+]1C[C@@H](O)C[C@H]1C(=O)N1C[C@H]2C[C@@]2(C(=O)NC2CC[NH+](C)CC2)C1 ZINC001275241895 841927233 /nfs/dbraw/zinc/92/72/33/841927233.db2.gz LYNVCMQANOTGTB-OYUZRVEBSA-N 2 0 350.463 -0.890 20 0 FBADRP CN1C[C@@H](O)C[C@H]1C(=O)N1CC[C@H]2C[C@]21C(=O)NC1CC[NH+](C)CC1 ZINC001275242230 841928064 /nfs/dbraw/zinc/92/80/64/841928064.db2.gz SKHOSGYJXUADRY-ADOMEBDSSA-N 2 0 350.463 -0.747 20 0 FBADRP CN1C[C@@H](O)C[C@H]1C(=O)N1CC[C@@H]2C[C@@]21C(=O)NC1CC[NH+](C)CC1 ZINC001275242232 841927444 /nfs/dbraw/zinc/92/74/44/841927444.db2.gz SKHOSGYJXUADRY-FHIHXZLISA-N 2 0 350.463 -0.747 20 0 FBADRP C[N@@H+]1C[C@@H](O)C[C@H]1C(=O)N1CC2(C[C@H]2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001275242532 841928002 /nfs/dbraw/zinc/92/80/02/841928002.db2.gz WATOPXLLIKRITM-KKUMJFAQSA-N 2 0 350.463 -0.890 20 0 FBADRP C[N@@H+]1C[C@@H](O)C[C@H]1C(=O)N1CC2(C[C@@H]2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001275242533 841927576 /nfs/dbraw/zinc/92/75/76/841927576.db2.gz WATOPXLLIKRITM-ZNMIVQPWSA-N 2 0 350.463 -0.890 20 0 FBADRP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@H+](CCN1CCOCC1)C2 ZINC001275287448 841932511 /nfs/dbraw/zinc/93/25/11/841932511.db2.gz OTHWVJATMBASDU-GOSISDBHSA-N 2 0 354.495 -0.569 20 0 FBADRP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@H+](CCN1CCOCC1)C2 ZINC001275287449 841932041 /nfs/dbraw/zinc/93/20/41/841932041.db2.gz OTHWVJATMBASDU-SFHVURJKSA-N 2 0 354.495 -0.569 20 0 FBADRP C[NH+]1CCC(C[NH+]2CC3(C2)COCC(=O)N3C[C@@H]2CCC(=O)N2)CC1 ZINC001275555264 841946940 /nfs/dbraw/zinc/94/69/40/841946940.db2.gz QFMVQLPXKTTXRG-HNNXBMFYSA-N 2 0 350.463 -0.480 20 0 FBADRP C[NH+]1CCC(C[NH+]2CC3(C2)COCC(=O)N3C[C@H]2CCC(=O)N2)CC1 ZINC001275555265 841947190 /nfs/dbraw/zinc/94/71/90/841947190.db2.gz QFMVQLPXKTTXRG-OAHLLOKOSA-N 2 0 350.463 -0.480 20 0 FBADRP CN(C)C(=O)CCN1C(=O)COCC12C[NH+](CC1CC[NH+](C)CC1)C2 ZINC001275556914 841947220 /nfs/dbraw/zinc/94/72/20/841947220.db2.gz QKLCLGTWCPOWOC-UHFFFAOYSA-N 2 0 352.479 -0.280 20 0 FBADRP CC[C@H](C(N)=O)N1C[C@]2(CC[N@H+](CC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275557015 841947181 /nfs/dbraw/zinc/94/71/81/841947181.db2.gz SFKFDBIIMJJDFV-CRAIPNDOSA-N 2 0 352.479 -0.105 20 0 FBADRP CC[C@@H](C(N)=O)N1C[C@]2(CC[N@H+](CC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275557016 841946715 /nfs/dbraw/zinc/94/67/15/841946715.db2.gz SFKFDBIIMJJDFV-MAUKXSAKSA-N 2 0 352.479 -0.105 20 0 FBADRP CC[C@H](C(N)=O)N1C[C@@]2(CC[N@H+](CC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275557017 841947075 /nfs/dbraw/zinc/94/70/75/841947075.db2.gz SFKFDBIIMJJDFV-QAPCUYQASA-N 2 0 352.479 -0.105 20 0 FBADRP CC[C@@H](C(N)=O)N1C[C@@]2(CC[N@H+](CC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275557018 841947159 /nfs/dbraw/zinc/94/71/59/841947159.db2.gz SFKFDBIIMJJDFV-YJBOKZPZSA-N 2 0 352.479 -0.105 20 0 FBADRP 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841973626 /nfs/dbraw/zinc/97/36/26/841973626.db2.gz DFMRCMUYLQHUCH-MRXNPFEDSA-N 2 0 351.407 -0.747 20 0 FBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001276007272 841980773 /nfs/dbraw/zinc/98/07/73/841980773.db2.gz OERPANXRYFOAIA-BFHYXJOUSA-N 2 0 355.483 -0.001 20 0 FBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001276007273 841980615 /nfs/dbraw/zinc/98/06/15/841980615.db2.gz OERPANXRYFOAIA-MGPQQGTHSA-N 2 0 355.483 -0.001 20 0 FBADRP C[C@@H]1[C@H](C(=O)N(C)CCC[NH2+]CC(=O)NC(=O)NC2CC2)CC[N@@H+]1C ZINC001276007417 841980689 /nfs/dbraw/zinc/98/06/89/841980689.db2.gz SERWBESVSXTTGB-TZMCWYRMSA-N 2 0 353.467 -0.247 20 0 FBADRP CC(=O)N1CCC[C@@H](C[NH+]2CC3(C2)COCC(=O)N3CC[NH+](C)C)C1 ZINC001276309391 842091791 /nfs/dbraw/zinc/09/17/91/842091791.db2.gz WZFQXSNXPOXSCV-INIZCTEOSA-N 2 0 352.479 -0.280 20 0 FBADRP CC(=O)N1CCC[C@H](C[NH+]2CC3(C2)COCC(=O)N3CC[NH+](C)C)C1 ZINC001276309392 842091676 /nfs/dbraw/zinc/09/16/76/842091676.db2.gz WZFQXSNXPOXSCV-MRXNPFEDSA-N 2 0 352.479 -0.280 20 0 FBADRP COCC[N@@H+]1CC[C@@]2(C1)CN(CCCN1CC[NH+](C)CC1)C(=O)CO2 ZINC001276357507 842102248 /nfs/dbraw/zinc/10/22/48/842102248.db2.gz NETMCMROSHNPQE-GOSISDBHSA-N 2 0 354.495 -0.426 20 0 FBADRP COCC[N@@H+]1CC[C@]2(C1)CN(CCCN1CC[NH+](C)CC1)C(=O)CO2 ZINC001276357508 842102320 /nfs/dbraw/zinc/10/23/20/842102320.db2.gz NETMCMROSHNPQE-SFHVURJKSA-N 2 0 354.495 -0.426 20 0 FBADRP CN1CC[NH+](CCCN2CC3(C2)CN(CC[NH+](C)C)C(=O)CO3)CC1 ZINC001276629945 844140608 /nfs/dbraw/zinc/14/06/08/844140608.db2.gz GWGLFCWEPNLDQY-UHFFFAOYSA-N 2 0 353.511 -0.901 20 0 FBADRP CN1CC[NH+](CCCN2CC3(C2)COCC(=O)N3CC[NH+](C)C)CC1 ZINC001276630458 844141546 /nfs/dbraw/zinc/14/15/46/844141546.db2.gz XXJPSPZQUACXHW-UHFFFAOYSA-N 2 0 353.511 -0.901 20 0 FBADRP COCCCN1C(=O)COCC12CN(CCC[NH+]1CCN(C)CC1)C2 ZINC001276636150 844143068 /nfs/dbraw/zinc/14/30/68/844143068.db2.gz JXFAXGWDVUHKBK-UHFFFAOYSA-N 2 0 354.495 -0.426 20 0 FBADRP C[NH+](C)CCNC(=O)[C@@H]1CC12CC[NH+](CC(=O)N1CCOCC1)CC2 ZINC001276675747 844169801 /nfs/dbraw/zinc/16/98/01/844169801.db2.gz JNJIKEAPBJTZEM-HNNXBMFYSA-N 2 0 352.479 -0.375 20 0 FBADRP C[NH+](C)CCNC(=O)[C@H]1CC12CC[NH+](CC(=O)N1CCOCC1)CC2 ZINC001276675748 844169058 /nfs/dbraw/zinc/16/90/58/844169058.db2.gz JNJIKEAPBJTZEM-OAHLLOKOSA-N 2 0 352.479 -0.375 20 0 FBADRP C[NH+](C)CCN1CCC2(CC[NH+](CC(=O)N3CCOCC3)CC2)C1=O ZINC001276676130 844169270 /nfs/dbraw/zinc/16/92/70/844169270.db2.gz UWFASUIBOGSHMQ-UHFFFAOYSA-N 2 0 352.479 -0.279 20 0 FBADRP CC[C@H](C(N)=O)N1C[C@]2(CC1=O)COCC[N@@H+](C1CCN(C)CC1)C2 ZINC001276757384 844657741 /nfs/dbraw/zinc/65/77/41/844657741.db2.gz QOWCOECGTVBTBX-CRAIPNDOSA-N 2 0 352.479 -0.105 20 0 FBADRP CC[C@@H](C(N)=O)N1C[C@]2(CC1=O)COCC[N@@H+](C1CCN(C)CC1)C2 ZINC001276757385 844657617 /nfs/dbraw/zinc/65/76/17/844657617.db2.gz QOWCOECGTVBTBX-MAUKXSAKSA-N 2 0 352.479 -0.105 20 0 FBADRP CC[C@H](C(N)=O)N1C[C@@]2(CC1=O)COCC[N@@H+](C1CCN(C)CC1)C2 ZINC001276757386 844657218 /nfs/dbraw/zinc/65/72/18/844657218.db2.gz QOWCOECGTVBTBX-QAPCUYQASA-N 2 0 352.479 -0.105 20 0 FBADRP CC[C@@H](C(N)=O)N1C[C@@]2(CC1=O)COCC[N@@H+](C1CCN(C)CC1)C2 ZINC001276757387 844657163 /nfs/dbraw/zinc/65/71/63/844657163.db2.gz QOWCOECGTVBTBX-YJBOKZPZSA-N 2 0 352.479 -0.105 20 0 FBADRP CCNC(=O)CN1C[C@]2(CC1=O)COCC[N@@H+](C1CCN(C)CC1)C2 ZINC001276757438 844657665 /nfs/dbraw/zinc/65/76/65/844657665.db2.gz RDTNTKIXDWDGIZ-GOSISDBHSA-N 2 0 352.479 -0.232 20 0 FBADRP CCNC(=O)CN1C[C@@]2(CC1=O)COCC[N@@H+](C1CCN(C)CC1)C2 ZINC001276757440 844657400 /nfs/dbraw/zinc/65/74/00/844657400.db2.gz RDTNTKIXDWDGIZ-SFHVURJKSA-N 2 0 352.479 -0.232 20 0 FBADRP CN1CCN(C(=O)C[N@@H+]2CC[C@@]3(CCN(CC[NH+](C)C)C3=O)C2)CC1 ZINC001276760966 844668553 /nfs/dbraw/zinc/66/85/53/844668553.db2.gz BUMQCZDFZOJSHV-GOSISDBHSA-N 2 0 351.495 -0.754 20 0 FBADRP CN1CCN(C(=O)C[N@@H+]2CC[C@]3(CCN(CC[NH+](C)C)C3=O)C2)CC1 ZINC001276760969 844668247 /nfs/dbraw/zinc/66/82/47/844668247.db2.gz BUMQCZDFZOJSHV-SFHVURJKSA-N 2 0 351.495 -0.754 20 0 FBADRP CN1CCN(C(=O)C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC[NH+](C)C)CC1 ZINC001276764901 844677029 /nfs/dbraw/zinc/67/70/29/844677029.db2.gz ZASBMVJEFHDTDO-HZPDHXFCSA-N 2 0 351.495 -0.613 20 0 FBADRP CCS(=O)(=O)CC[N@@H+]1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001276771871 844689997 /nfs/dbraw/zinc/68/99/97/844689997.db2.gz JCRYFNRTSVLECD-INIZCTEOSA-N 2 0 359.492 -0.176 20 0 FBADRP CCS(=O)(=O)CC[N@@H+]1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001276771872 844690203 /nfs/dbraw/zinc/69/02/03/844690203.db2.gz JCRYFNRTSVLECD-MRXNPFEDSA-N 2 0 359.492 -0.176 20 0 FBADRP CCNC(=O)CN1CC[C@]2(CC[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O ZINC001276794416 844731449 /nfs/dbraw/zinc/73/14/49/844731449.db2.gz JJECWLPXOCSEMV-KDOFPFPSSA-N 2 0 354.495 -0.204 20 0 FBADRP CCNC(=O)CN1CC[C@@]2(CC[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O ZINC001276794417 844731875 /nfs/dbraw/zinc/73/18/75/844731875.db2.gz JJECWLPXOCSEMV-RDTXWAMCSA-N 2 0 354.495 -0.204 20 0 FBADRP CC[C@@H](C(N)=O)N1CC[C@]2(CC[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O ZINC001276794727 844732876 /nfs/dbraw/zinc/73/28/76/844732876.db2.gz RMYQJIJEEGYCRI-GLJUWKHASA-N 2 0 354.495 -0.076 20 0 FBADRP CC[C@H](C(N)=O)N1CC[C@@]2(CC[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O ZINC001276794728 844732807 /nfs/dbraw/zinc/73/28/07/844732807.db2.gz RMYQJIJEEGYCRI-HBUWYVDXSA-N 2 0 354.495 -0.076 20 0 FBADRP CC[C@H](C(N)=O)N1CC[C@]2(CC[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O ZINC001276794729 844732582 /nfs/dbraw/zinc/73/25/82/844732582.db2.gz RMYQJIJEEGYCRI-LBTNJELSSA-N 2 0 354.495 -0.076 20 0 FBADRP CC[C@@H](C(N)=O)N1CC[C@@]2(CC[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O ZINC001276794730 844732596 /nfs/dbraw/zinc/73/25/96/844732596.db2.gz RMYQJIJEEGYCRI-QWQRMKEZSA-N 2 0 354.495 -0.076 20 0 FBADRP C[NH+](C)CCN1C[C@]2(CCN(C[C@H](O)C[NH2+]C(C)(C)C)C2)OCC1=O ZINC001276794910 844732732 /nfs/dbraw/zinc/73/27/32/844732732.db2.gz CPOMFKGOVVMQDK-CRAIPNDOSA-N 2 0 356.511 -0.400 20 0 FBADRP C[NH+](C)CCN1C[C@@]2(CCN(C[C@H](O)C[NH2+]C(C)(C)C)C2)OCC1=O ZINC001276794911 844732520 /nfs/dbraw/zinc/73/25/20/844732520.db2.gz CPOMFKGOVVMQDK-QAPCUYQASA-N 2 0 356.511 -0.400 20 0 FBADRP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CCC[C@]2(CC(=O)N(C3COC3)C2=O)C1 ZINC001276795430 844736743 /nfs/dbraw/zinc/73/67/43/844736743.db2.gz JGFFCFOQGKHMRK-KDOFPFPSSA-N 2 0 353.463 -0.025 20 0 FBADRP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CCC[C@@]2(CC(=O)N(C3COC3)C2=O)C1 ZINC001276795431 844736812 /nfs/dbraw/zinc/73/68/12/844736812.db2.gz JGFFCFOQGKHMRK-RDTXWAMCSA-N 2 0 353.463 -0.025 20 0 FBADRP C[NH+](C)CCN1C[C@@]2(F)CN(C[C@H](O)C[NH2+]C(C)(C)C)C[C@@]2(F)C1=O ZINC001276795535 844736792 /nfs/dbraw/zinc/73/67/92/844736792.db2.gz LWWAROMAGSTJPF-XOKHGSTOSA-N 2 0 362.465 -0.129 20 0 FBADRP CCOC(=O)C[C@H](O)C[N@@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001276826431 845685367 /nfs/dbraw/zinc/68/53/67/845685367.db2.gz DONPWTWIHDOOEG-WMLDXEAASA-N 2 0 357.451 -0.835 20 0 FBADRP CCOC(=O)C[C@H](O)C[N@@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001276826433 845685488 /nfs/dbraw/zinc/68/54/88/845685488.db2.gz DONPWTWIHDOOEG-YOEHRIQHSA-N 2 0 357.451 -0.835 20 0 FBADRP C[C@@H](O)C[N@@H+]1CC[C@]2(C1)CN(CCCN1CC[NH+](C)CC1)C(=O)CO2 ZINC001276959940 845780735 /nfs/dbraw/zinc/78/07/35/845780735.db2.gz MBZYYCOTRNUSRG-AEFFLSMTSA-N 2 0 354.495 -0.692 20 0 FBADRP C[C@H](O)C[N@@H+]1CC[C@@]2(C1)CN(CCCN1CC[NH+](C)CC1)C(=O)CO2 ZINC001276959941 845781230 /nfs/dbraw/zinc/78/12/30/845781230.db2.gz MBZYYCOTRNUSRG-FUHWJXTLSA-N 2 0 354.495 -0.692 20 0 FBADRP C[C@@H](O)C[N@@H+]1CC[C@@]2(C1)CN(CCCN1CC[NH+](C)CC1)C(=O)CO2 ZINC001276959942 845780897 /nfs/dbraw/zinc/78/08/97/845780897.db2.gz MBZYYCOTRNUSRG-SJLPKXTDSA-N 2 0 354.495 -0.692 20 0 FBADRP C[C@H](O)C[N@@H+]1CC[C@]2(C1)CN(CCCN1CC[NH+](C)CC1)C(=O)CO2 ZINC001276959943 845781157 /nfs/dbraw/zinc/78/11/57/845781157.db2.gz MBZYYCOTRNUSRG-WMZOPIPTSA-N 2 0 354.495 -0.692 20 0 FBADRP CNC(=O)C[N@@H+]1CC[C@@]2(CCN(CCCN3CC[NH+](C)CC3)C2=O)C1 ZINC001276981416 845787499 /nfs/dbraw/zinc/78/74/99/845787499.db2.gz AYXBVYTXEQCFNK-GOSISDBHSA-N 2 0 351.495 -0.706 20 0 FBADRP CNC(=O)C[N@@H+]1CC[C@]2(CCN(CCCN3CC[NH+](C)CC3)C2=O)C1 ZINC001276981417 845787581 /nfs/dbraw/zinc/78/75/81/845787581.db2.gz AYXBVYTXEQCFNK-SFHVURJKSA-N 2 0 351.495 -0.706 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]CCN(C)S(C)(=O)=O)CC2)CC[N@@H+]1C ZINC001277060105 845806368 /nfs/dbraw/zinc/80/63/68/845806368.db2.gz IHLOMZJZKPNOKI-UONOGXRCSA-N 2 0 360.524 -0.154 20 0 FBADRP C[NH+](C)CCN1C[C@@]2(CC[N@H+](Cc3c[nH]c(=O)[nH]c3=O)C2)OCC1=O ZINC001277146880 845834304 /nfs/dbraw/zinc/83/43/04/845834304.db2.gz PFBYXAQXRIBKBY-INIZCTEOSA-N 2 0 351.407 -0.747 20 0 FBADRP C[NH+](C)CCN1C[C@]2(CC[N@H+](Cc3c[nH]c(=O)[nH]c3=O)C2)OCC1=O ZINC001277146881 845834897 /nfs/dbraw/zinc/83/48/97/845834897.db2.gz PFBYXAQXRIBKBY-MRXNPFEDSA-N 2 0 351.407 -0.747 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1C(=O)N1CCC([NH+]2CCC(C(N)=O)CC2)CC1 ZINC001277239879 845860580 /nfs/dbraw/zinc/86/05/80/845860580.db2.gz SPRGTIHSNMNPQH-INIZCTEOSA-N 2 0 351.495 -0.580 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1C(=O)N1CCC([NH+]2CCC(C(N)=O)CC2)CC1 ZINC001277239880 845860835 /nfs/dbraw/zinc/86/08/35/845860835.db2.gz SPRGTIHSNMNPQH-MRXNPFEDSA-N 2 0 351.495 -0.580 20 0 FBADRP CNC(=O)NC(=O)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001277646742 845967672 /nfs/dbraw/zinc/96/76/72/845967672.db2.gz KECUWFDBHOGKHB-BNOWGMLFSA-N 2 0 353.467 -0.391 20 0 FBADRP CNC(=O)NC(=O)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001277646743 845967733 /nfs/dbraw/zinc/96/77/33/845967733.db2.gz KECUWFDBHOGKHB-MRVWCRGKSA-N 2 0 353.467 -0.391 20 0 FBADRP C[NH+](C)CCN1CC[C@@]2(CCC[N@@H+]2C[C@H](O)CN2CCOCC2)C1=O ZINC001277695975 845972870 /nfs/dbraw/zinc/97/28/70/845972870.db2.gz CCLTULPKKGBNAP-AEFFLSMTSA-N 2 0 354.495 -0.692 20 0 FBADRP C[NH+](C)CCN1CC[C@]2(CCC[N@@H+]2C[C@@H](O)CN2CCOCC2)C1=O ZINC001277695976 845972451 /nfs/dbraw/zinc/97/24/51/845972451.db2.gz CCLTULPKKGBNAP-FUHWJXTLSA-N 2 0 354.495 -0.692 20 0 FBADRP C[NH+](C)CCN1CC[C@]2(CCC[N@@H+]2C[C@H](O)CN2CCOCC2)C1=O ZINC001277695977 845972536 /nfs/dbraw/zinc/97/25/36/845972536.db2.gz CCLTULPKKGBNAP-SJLPKXTDSA-N 2 0 354.495 -0.692 20 0 FBADRP C[NH+](C)CCN1CC[C@@]2(CCC[N@@H+]2C[C@@H](O)CN2CCOCC2)C1=O ZINC001277695978 845972672 /nfs/dbraw/zinc/97/26/72/845972672.db2.gz CCLTULPKKGBNAP-WMZOPIPTSA-N 2 0 354.495 -0.692 20 0 FBADRP C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2C[C@H](O)CN1CCOCC1 ZINC001277697281 845972841 /nfs/dbraw/zinc/97/28/41/845972841.db2.gz JCVBHCXXZCGFOU-BRWVUGGUSA-N 2 0 354.495 -0.694 20 0 FBADRP C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2C[C@@H](O)CN1CCOCC1 ZINC001277697285 845972364 /nfs/dbraw/zinc/97/23/64/845972364.db2.gz JCVBHCXXZCGFOU-GVDBMIGSSA-N 2 0 354.495 -0.694 20 0 FBADRP C[NH+](C)CCN1CC[C@]2(CC[N@H+](C[C@H](O)CN3CCOCC3)C2)C1=O ZINC001277699048 845975035 /nfs/dbraw/zinc/97/50/35/845975035.db2.gz UUWXACDFVWCDDR-AEFFLSMTSA-N 2 0 354.495 -0.835 20 0 FBADRP C[NH+](C)CCN1CC[C@@]2(CC[N@H+](C[C@@H](O)CN3CCOCC3)C2)C1=O ZINC001277699049 845974740 /nfs/dbraw/zinc/97/47/40/845974740.db2.gz UUWXACDFVWCDDR-FUHWJXTLSA-N 2 0 354.495 -0.835 20 0 FBADRP C[NH+](C)CCN1CC[C@@]2(CC[N@H+](C[C@H](O)CN3CCOCC3)C2)C1=O ZINC001277699050 845974997 /nfs/dbraw/zinc/97/49/97/845974997.db2.gz UUWXACDFVWCDDR-SJLPKXTDSA-N 2 0 354.495 -0.835 20 0 FBADRP C[NH+](C)CCN1CC[C@]2(CC[N@H+](C[C@@H](O)CN3CCOCC3)C2)C1=O ZINC001277699051 845974938 /nfs/dbraw/zinc/97/49/38/845974938.db2.gz UUWXACDFVWCDDR-WMZOPIPTSA-N 2 0 354.495 -0.835 20 0 FBADRP C[NH+]1CCN(CCCN2CC[C@]3(CCC[N@@H+]3C[C@H](O)CO)C2=O)CC1 ZINC001277718126 845981918 /nfs/dbraw/zinc/98/19/18/845981918.db2.gz BZAZOFFWYUWADT-FUHWJXTLSA-N 2 0 354.495 -0.956 20 0 FBADRP C[NH+]1CCN(CCCN2CC[C@@]3(CCC[N@@H+]3C[C@H](O)CO)C2=O)CC1 ZINC001277718127 845981356 /nfs/dbraw/zinc/98/13/56/845981356.db2.gz BZAZOFFWYUWADT-WMZOPIPTSA-N 2 0 354.495 -0.956 20 0 FBADRP C[NH+]1CCN(CCCN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3C[C@H](O)CO)CC1 ZINC001277718834 845981638 /nfs/dbraw/zinc/98/16/38/845981638.db2.gz ISZDOQWYGQNWOS-GVDBMIGSSA-N 2 0 354.495 -0.958 20 0 FBADRP C[NH+]1CCN(CCCN2C(=O)COCC23CN(CC(C)(C)O)C3)CC1 ZINC001277762132 845988751 /nfs/dbraw/zinc/98/87/51/845988751.db2.gz SYPHUWYTONZDGL-UHFFFAOYSA-N 2 0 354.495 -0.692 20 0 FBADRP CC(C)OC[C@H](O)C[N@@H+]1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001277794898 846000573 /nfs/dbraw/zinc/00/05/73/846000573.db2.gz QRPXYQQPUZMSRB-AEFFLSMTSA-N 2 0 357.495 -0.115 20 0 FBADRP CC(C)OC[C@@H](O)C[N@@H+]1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001277794899 846000989 /nfs/dbraw/zinc/00/09/89/846000989.db2.gz QRPXYQQPUZMSRB-FUHWJXTLSA-N 2 0 357.495 -0.115 20 0 FBADRP CC(C)OC[C@H](O)C[N@@H+]1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001277794900 846001310 /nfs/dbraw/zinc/00/13/10/846001310.db2.gz QRPXYQQPUZMSRB-SJLPKXTDSA-N 2 0 357.495 -0.115 20 0 FBADRP CC(C)OC[C@@H](O)C[N@@H+]1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001277794901 846000527 /nfs/dbraw/zinc/00/05/27/846000527.db2.gz QRPXYQQPUZMSRB-WMZOPIPTSA-N 2 0 357.495 -0.115 20 0 FBADRP C[NH+](C)CCN1C(=O)C[C@]2(CCC[N@H+](CC3(O)CCOCC3)C2)C1=O ZINC001277813511 846005435 /nfs/dbraw/zinc/00/54/35/846005435.db2.gz PXBITQXBECFQEN-KRWDZBQOSA-N 2 0 353.463 -0.069 20 0 FBADRP C[NH+](C)CCN1C(=O)C[C@@]2(CCC[N@H+](CC3(O)CCOCC3)C2)C1=O ZINC001277813512 846005858 /nfs/dbraw/zinc/00/58/58/846005858.db2.gz PXBITQXBECFQEN-QGZVFWFLSA-N 2 0 353.463 -0.069 20 0 FBADRP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@H+](CC1(O)CCOCC1)C2 ZINC001277813831 846005592 /nfs/dbraw/zinc/00/55/92/846005592.db2.gz UHPFEUJPVOAMQT-KRWDZBQOSA-N 2 0 355.479 -0.360 20 0 FBADRP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@H+](CC1(O)CCOCC1)C2 ZINC001277813834 846005812 /nfs/dbraw/zinc/00/58/12/846005812.db2.gz UHPFEUJPVOAMQT-QGZVFWFLSA-N 2 0 355.479 -0.360 20 0 FBADRP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CCC[C@@]2(CC(=O)N(C3COC3)C2=O)C1 ZINC001277833048 846009400 /nfs/dbraw/zinc/00/94/00/846009400.db2.gz AROXACIXZJQRPR-CRAIPNDOSA-N 2 0 353.463 -0.071 20 0 FBADRP CC[NH+](CC)C[C@H](O)C[N@@H+]1CCC[C@@]2(CC(=O)N(C3COC3)C2=O)C1 ZINC001277833049 846009308 /nfs/dbraw/zinc/00/93/08/846009308.db2.gz AROXACIXZJQRPR-MAUKXSAKSA-N 2 0 353.463 -0.071 20 0 FBADRP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CCC[C@]2(CC(=O)N(C3COC3)C2=O)C1 ZINC001277833050 846008990 /nfs/dbraw/zinc/00/89/90/846008990.db2.gz AROXACIXZJQRPR-QAPCUYQASA-N 2 0 353.463 -0.071 20 0 FBADRP CC[NH+](CC)C[C@H](O)C[N@@H+]1CCC[C@]2(CC(=O)N(C3COC3)C2=O)C1 ZINC001277833051 846010429 /nfs/dbraw/zinc/01/04/29/846010429.db2.gz AROXACIXZJQRPR-YJBOKZPZSA-N 2 0 353.463 -0.071 20 0 FBADRP CC[NH+](CC)C[C@@H](O)CN1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001277833128 846010393 /nfs/dbraw/zinc/01/03/93/846010393.db2.gz BPWYNQWSTIDHPF-AEFFLSMTSA-N 2 0 356.511 -0.446 20 0 FBADRP CC[NH+](CC)C[C@H](O)CN1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001277833130 846010763 /nfs/dbraw/zinc/01/07/63/846010763.db2.gz BPWYNQWSTIDHPF-FUHWJXTLSA-N 2 0 356.511 -0.446 20 0 FBADRP CC[NH+](CC)C[C@@H](O)CN1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001277833132 846010634 /nfs/dbraw/zinc/01/06/34/846010634.db2.gz BPWYNQWSTIDHPF-SJLPKXTDSA-N 2 0 356.511 -0.446 20 0 FBADRP CC[NH+](CC)C[C@H](O)CN1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001277833134 846009953 /nfs/dbraw/zinc/00/99/53/846009953.db2.gz BPWYNQWSTIDHPF-WMZOPIPTSA-N 2 0 356.511 -0.446 20 0 FBADRP CC[C@H](C(N)=O)N1CC[C@]2(CC[N@H+](C[C@@H](O)C[NH+](CC)CC)C2)C1=O ZINC001277833353 846010677 /nfs/dbraw/zinc/01/06/77/846010677.db2.gz CLJADYDYZDZGRH-DAYGRLMNSA-N 2 0 354.495 -0.123 20 0 FBADRP CC[C@H](C(N)=O)N1CC[C@@]2(CC[N@H+](C[C@@H](O)C[NH+](CC)CC)C2)C1=O ZINC001277833354 846010713 /nfs/dbraw/zinc/01/07/13/846010713.db2.gz CLJADYDYZDZGRH-HDMKZQKVSA-N 2 0 354.495 -0.123 20 0 FBADRP CC[C@H](C(N)=O)N1CC[C@@]2(CC[N@H+](C[C@H](O)C[NH+](CC)CC)C2)C1=O ZINC001277833355 846010143 /nfs/dbraw/zinc/01/01/43/846010143.db2.gz CLJADYDYZDZGRH-IIDMSEBBSA-N 2 0 354.495 -0.123 20 0 FBADRP CC[C@H](C(N)=O)N1CC[C@]2(CC[N@H+](C[C@H](O)C[NH+](CC)CC)C2)C1=O ZINC001277833356 846010236 /nfs/dbraw/zinc/01/02/36/846010236.db2.gz CLJADYDYZDZGRH-RKVPGOIHSA-N 2 0 354.495 -0.123 20 0 FBADRP CC[NH+](CC)C[C@H](O)CN1C[C@@]2(F)C(=O)N(CC[NH+](C)C)C[C@@]2(F)C1 ZINC001277835612 846010000 /nfs/dbraw/zinc/01/00/00/846010000.db2.gz LRDVFROBZXYVLD-BHYGNILZSA-N 2 0 362.465 -0.175 20 0 FBADRP CC[NH+](CC)C[C@@H](O)CN1C[C@@]2(F)C(=O)N(CC[NH+](C)C)C[C@@]2(F)C1 ZINC001277835619 846010209 /nfs/dbraw/zinc/01/02/09/846010209.db2.gz LRDVFROBZXYVLD-HYVNUMGLSA-N 2 0 362.465 -0.175 20 0 FBADRP CCNC(=O)CN1CC[C@@]2(CC[N@H+](C[C@H](O)C[NH+](CC)CC)C2)C1=O ZINC001277837476 846011414 /nfs/dbraw/zinc/01/14/14/846011414.db2.gz YQHQRZGRJMYYAO-CRAIPNDOSA-N 2 0 354.495 -0.250 20 0 FBADRP CCNC(=O)CN1CC[C@@]2(CC[N@H+](C[C@@H](O)C[NH+](CC)CC)C2)C1=O ZINC001277837477 846011914 /nfs/dbraw/zinc/01/19/14/846011914.db2.gz YQHQRZGRJMYYAO-MAUKXSAKSA-N 2 0 354.495 -0.250 20 0 FBADRP CCNC(=O)CN1CC[C@]2(CC[N@H+](C[C@H](O)C[NH+](CC)CC)C2)C1=O ZINC001277837478 846011679 /nfs/dbraw/zinc/01/16/79/846011679.db2.gz YQHQRZGRJMYYAO-QAPCUYQASA-N 2 0 354.495 -0.250 20 0 FBADRP CCNC(=O)CN1CC[C@]2(CC[N@H+](C[C@@H](O)C[NH+](CC)CC)C2)C1=O ZINC001277837479 846011220 /nfs/dbraw/zinc/01/12/20/846011220.db2.gz YQHQRZGRJMYYAO-YJBOKZPZSA-N 2 0 354.495 -0.250 20 0 FBADRP CN(CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]cn1)S(C)(=O)=O ZINC001277873903 846017739 /nfs/dbraw/zinc/01/77/39/846017739.db2.gz KGCKLKLLMYUXKL-BFHYXJOUSA-N 2 0 369.491 -0.015 20 0 FBADRP CN(CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]cn1)S(C)(=O)=O ZINC001277873904 846017784 /nfs/dbraw/zinc/01/77/84/846017784.db2.gz KGCKLKLLMYUXKL-MGPQQGTHSA-N 2 0 369.491 -0.015 20 0 FBADRP C[NH+]1CCC(NC(=O)[C@@]23C[C@@H]2CN(C(=O)C[N@@H+]2CC[C@@H](O)C2)C3)CC1 ZINC001277888896 846018732 /nfs/dbraw/zinc/01/87/32/846018732.db2.gz CVSGZMYYAOQANW-DDUZABMNSA-N 2 0 350.463 -0.888 20 0 FBADRP C[NH+]1CCC(NC(=O)[C@@]23C[C@@H]2CN(C(=O)C[N@@H+]2CC[C@H](O)C2)C3)CC1 ZINC001277888897 846018968 /nfs/dbraw/zinc/01/89/68/846018968.db2.gz CVSGZMYYAOQANW-QIIPPGSGSA-N 2 0 350.463 -0.888 20 0 FBADRP C[NH+]1CCC(NC(=O)[C@@H]2CC23CN(C(=O)C[N@@H+]2CC[C@@H](O)C2)C3)CC1 ZINC001277889541 846020605 /nfs/dbraw/zinc/02/06/05/846020605.db2.gz KKFBPHMPHBJBKH-CABCVRRESA-N 2 0 350.463 -0.888 20 0 FBADRP C[NH+]1CCC(NC(=O)[C@@H]2CC23CN(C(=O)C[N@@H+]2CC[C@H](O)C2)C3)CC1 ZINC001277889543 846020458 /nfs/dbraw/zinc/02/04/58/846020458.db2.gz KKFBPHMPHBJBKH-GJZGRUSLSA-N 2 0 350.463 -0.888 20 0 FBADRP C[NH+]1CCC(NC(=O)[C@H]2CC23CN(C(=O)C[N@@H+]2CC[C@@H](O)C2)C3)CC1 ZINC001277889545 846020489 /nfs/dbraw/zinc/02/04/89/846020489.db2.gz KKFBPHMPHBJBKH-HUUCEWRRSA-N 2 0 350.463 -0.888 20 0 FBADRP C[NH+]1CCC(NC(=O)[C@H]2CC23CN(C(=O)C[N@@H+]2CC[C@H](O)C2)C3)CC1 ZINC001277889547 846020439 /nfs/dbraw/zinc/02/04/39/846020439.db2.gz KKFBPHMPHBJBKH-LSDHHAIUSA-N 2 0 350.463 -0.888 20 0 FBADRP C[C@@H]1[C@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)N(C)CC(F)(F)F)CC[N@@H+]1C ZINC001278084863 846037410 /nfs/dbraw/zinc/03/74/10/846037410.db2.gz HCTNUXXBJKLSIE-GRYCIOLGSA-N 2 0 368.400 -0.586 20 0 FBADRP C[C@@H]1[C@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)N(C)CC(F)(F)F)CC[N@@H+]1C ZINC001278084864 846037645 /nfs/dbraw/zinc/03/76/45/846037645.db2.gz HCTNUXXBJKLSIE-IJLUTSLNSA-N 2 0 368.400 -0.586 20 0 FBADRP C[NH+](C)CCNC(=S)N1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001278101653 846039737 /nfs/dbraw/zinc/03/97/37/846039737.db2.gz NTTBGJIVKNSEKI-KRWDZBQOSA-N 2 0 371.551 -0.465 20 0 FBADRP C[NH+](C)CCNC(=S)N1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001278101654 846039510 /nfs/dbraw/zinc/03/95/10/846039510.db2.gz NTTBGJIVKNSEKI-QGZVFWFLSA-N 2 0 371.551 -0.465 20 0 FBADRP C[NH+](C)CCNC(=S)N1C[C@]2(F)CN(CC[NH+](C)C)C(=O)[C@]2(F)C1 ZINC001278101813 846039698 /nfs/dbraw/zinc/03/96/98/846039698.db2.gz PMFIGUFZBLDJHN-HUUCEWRRSA-N 2 0 363.478 -0.442 20 0 FBADRP C[NH+](C)CCNC(=S)N1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001278102112 846039547 /nfs/dbraw/zinc/03/95/47/846039547.db2.gz TYCODSFGUMIFTM-INIZCTEOSA-N 2 0 357.524 -0.713 20 0 FBADRP C[NH+](C)CCNC(=S)N1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001278102114 846039435 /nfs/dbraw/zinc/03/94/35/846039435.db2.gz TYCODSFGUMIFTM-MRXNPFEDSA-N 2 0 357.524 -0.713 20 0 FBADRP C[NH+](C)CCNC(=S)N1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001278102167 846039556 /nfs/dbraw/zinc/03/95/56/846039556.db2.gz VGCZFJLIRVFHKC-KRWDZBQOSA-N 2 0 369.535 -0.175 20 0 FBADRP C[NH+](C)CCNC(=S)N1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001278102168 846039527 /nfs/dbraw/zinc/03/95/27/846039527.db2.gz VGCZFJLIRVFHKC-QGZVFWFLSA-N 2 0 369.535 -0.175 20 0 FBADRP COCCC[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]12 ZINC001278206582 846055411 /nfs/dbraw/zinc/05/54/11/846055411.db2.gz CTVATDWCBWVYJO-GJZGRUSLSA-N 2 0 352.479 -0.377 20 0 FBADRP COCCC[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]12 ZINC001278206585 846055841 /nfs/dbraw/zinc/05/58/41/846055841.db2.gz CTVATDWCBWVYJO-HUUCEWRRSA-N 2 0 352.479 -0.377 20 0 FBADRP C[NH+](C)CCN1CC[N@H+](C[C@H]2CCC(=O)N2)C[C@@]2(CCCC(=O)N2)C1 ZINC001278472658 846110353 /nfs/dbraw/zinc/11/03/53/846110353.db2.gz UBYGLCWIGMNCEJ-CRAIPNDOSA-N 2 0 351.495 -0.517 20 0 FBADRP C[NH+](C)CCN1CC[N@H+](C[C@@H]2CCC(=O)N2)C[C@@]2(CCCC(=O)N2)C1 ZINC001278472659 846110146 /nfs/dbraw/zinc/11/01/46/846110146.db2.gz UBYGLCWIGMNCEJ-MAUKXSAKSA-N 2 0 351.495 -0.517 20 0 FBADRP C[NH+](C)CCN1CC[N@H+](C[C@H]2CCC(=O)N2)C[C@]2(CCCC(=O)N2)C1 ZINC001278472660 846110090 /nfs/dbraw/zinc/11/00/90/846110090.db2.gz UBYGLCWIGMNCEJ-QAPCUYQASA-N 2 0 351.495 -0.517 20 0 FBADRP C[NH+](C)CCN1CC[N@H+](C[C@@H]2CCC(=O)N2)C[C@]2(CCCC(=O)N2)C1 ZINC001278472661 846110050 /nfs/dbraw/zinc/11/00/50/846110050.db2.gz UBYGLCWIGMNCEJ-YJBOKZPZSA-N 2 0 351.495 -0.517 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@](C)(C[NH2+]CC(=O)NC(N)=O)C2)CC[N@@H+]1C ZINC001278497649 846117508 /nfs/dbraw/zinc/11/75/08/846117508.db2.gz DJDRVAARKQAQGG-AHIWAGSCSA-N 2 0 353.467 -0.260 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@](C)(C[NH2+]CC(=O)NC(N)=O)C2)CC[N@@H+]1C ZINC001278497650 846117378 /nfs/dbraw/zinc/11/73/78/846117378.db2.gz DJDRVAARKQAQGG-OGHNNQOOSA-N 2 0 353.467 -0.260 20 0 FBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1(C)C ZINC001278644734 846176440 /nfs/dbraw/zinc/17/64/40/846176440.db2.gz JFMCGZILYNSBCR-JHJVBQTASA-N 2 0 353.467 -0.391 20 0 FBADRP CNC(=O)NC(=O)C[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1(C)C ZINC001278644736 846175898 /nfs/dbraw/zinc/17/58/98/846175898.db2.gz JFMCGZILYNSBCR-UPJWGTAASA-N 2 0 353.467 -0.391 20 0 FBADRP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(=O)N3CCC3)CCOCC2)CC[N@@H+]1C ZINC001278707657 846213544 /nfs/dbraw/zinc/21/35/44/846213544.db2.gz QJHGNZUUMMNUJO-HUUCEWRRSA-N 2 0 352.479 -0.186 20 0 FBADRP C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)NCC(F)(F)F)CC[N@@H+]1C ZINC001278755597 846242185 /nfs/dbraw/zinc/24/21/85/846242185.db2.gz HAJVSICKTRXXIC-GRYCIOLGSA-N 2 0 368.400 -0.586 20 0 FBADRP C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)NCC(F)(F)F)CC[N@@H+]1C ZINC001278755599 846242213 /nfs/dbraw/zinc/24/22/13/846242213.db2.gz HAJVSICKTRXXIC-IJLUTSLNSA-N 2 0 368.400 -0.586 20 0 FBADRP CCn1nnc(C)c1C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001278756303 846242109 /nfs/dbraw/zinc/24/21/09/846242109.db2.gz NQAZZRJRVVDNNG-QLFBSQMISA-N 2 0 352.483 -0.144 20 0 FBADRP CCn1nnc(C)c1C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001278756304 846241887 /nfs/dbraw/zinc/24/18/87/846241887.db2.gz NQAZZRJRVVDNNG-RBSFLKMASA-N 2 0 352.483 -0.144 20 0 FBADRP C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)C[NH+](C)CCN2CCNC2=O)CC[N@@H+]1C ZINC001278855389 846300981 /nfs/dbraw/zinc/30/09/81/846300981.db2.gz PJGCYSLPKBIOLN-QLFBSQMISA-N 2 0 355.483 -0.897 20 0 FBADRP C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)C[NH+](C)CCN2CCNC2=O)CC[N@@H+]1C ZINC001278855390 846301163 /nfs/dbraw/zinc/30/11/63/846301163.db2.gz PJGCYSLPKBIOLN-RBSFLKMASA-N 2 0 355.483 -0.897 20 0 FBADRP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@@H+]2C[C@@H]1OC(C)(C)O[C@@H]1[C@H](O)CO ZINC001279239276 846889448 /nfs/dbraw/zinc/88/94/48/846889448.db2.gz KWKMDAXCXHAFEO-ZOFXXKQRSA-N 2 0 357.495 -0.430 20 0 FBADRP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+](C[C@@H]1OC(C)(C)O[C@@H]1[C@H](O)CO)C2 ZINC001279239644 846889372 /nfs/dbraw/zinc/88/93/72/846889372.db2.gz NRHRBCBFBURLMM-BPKGMFCQSA-N 2 0 357.495 -0.573 20 0 FBADRP C[NH+](C)CCN1CCC2(C[NH+](C[C@@H]3OC(C)(C)O[C@@H]3[C@H](O)CO)C2)C1 ZINC001279240140 846889541 /nfs/dbraw/zinc/88/95/41/846889541.db2.gz VILPIQHQTOHDEK-OWCLPIDISA-N 2 0 357.495 -0.571 20 0 FBADRP C[NH+](C)CCN1C[C@@H]2CC[N@H+](C[C@@H]3OC(C)(C)O[C@@H]3[C@H](O)CO)[C@@H]2C1 ZINC001279240417 846889713 /nfs/dbraw/zinc/88/97/13/846889713.db2.gz XPVDZOMROTYBQG-JZAWBGDQSA-N 2 0 357.495 -0.573 20 0 FBADRP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1OC(C)(C)O[C@@H]1[C@H](O)CO ZINC001279240632 846889284 /nfs/dbraw/zinc/88/92/84/846889284.db2.gz XTYBSUOSEKPTRC-BPKGMFCQSA-N 2 0 357.495 -0.430 20 0 FBADRP C[C@@H]1[C@H](C(=O)NCCN2CCC([NH2+][C@H]3CCNC3=O)CC2)CC[N@@H+]1C ZINC001279431669 846901976 /nfs/dbraw/zinc/90/19/76/846901976.db2.gz QMEMNDUUBLLYNR-BMFZPTHFSA-N 2 0 351.495 -0.615 20 0 FBADRP C[C@@H]1[C@H](C(=O)NCCN2CCC([NH2+][C@@H]3CCNC3=O)CC2)CC[N@@H+]1C ZINC001279431670 846902520 /nfs/dbraw/zinc/90/25/20/846902520.db2.gz QMEMNDUUBLLYNR-FVQBIDKESA-N 2 0 351.495 -0.615 20 0 FBADRP CN(C)S(=O)(=O)N1CCO[C@H]2C[N@H+](CC3(C)CC[NH+](C)CC3)C[C@H]21 ZINC001279477665 846904165 /nfs/dbraw/zinc/90/41/65/846904165.db2.gz YSQYSZDWDYKFNB-CABCVRRESA-N 2 0 360.524 -0.090 20 0 FBADRP CN(C)S(=O)(=O)N1CCO[C@H]2C[N@H+](CC3(C)CC[NH+](C)CC3)C[C@@H]21 ZINC001279477666 846904236 /nfs/dbraw/zinc/90/42/36/846904236.db2.gz YSQYSZDWDYKFNB-GJZGRUSLSA-N 2 0 360.524 -0.090 20 0 FBADRP CN(C)C(=O)C[N@@H+]1C[C@@H]2C(=O)NC3(CCN(CC[NH+](C)C)CC3)[C@H]2C1 ZINC001279483126 846905022 /nfs/dbraw/zinc/90/50/22/846905022.db2.gz ANUMBEPSNAEWRX-GJZGRUSLSA-N 2 0 351.495 -0.851 20 0 FBADRP CN(C)C(=O)C[N@@H+]1C[C@H]2C(=O)NC3(CCN(CC[NH+](C)C)CC3)[C@@H]2C1 ZINC001279483127 846904442 /nfs/dbraw/zinc/90/44/42/846904442.db2.gz ANUMBEPSNAEWRX-HUUCEWRRSA-N 2 0 351.495 -0.851 20 0 FBADRP COCCOC[N@@H+]1C[C@@H]2C(=O)NC3(CCN(CC[NH+](C)C)CC3)[C@H]2C1 ZINC001279484057 846904985 /nfs/dbraw/zinc/90/49/85/846904985.db2.gz LPTFAZVIIVSTTP-HOTGVXAUSA-N 2 0 354.495 -0.319 20 0 FBADRP COCCOC[N@@H+]1C[C@H]2C(=O)NC3(CCN(CC[NH+](C)C)CC3)[C@@H]2C1 ZINC001279484058 846904857 /nfs/dbraw/zinc/90/48/57/846904857.db2.gz LPTFAZVIIVSTTP-HZPDHXFCSA-N 2 0 354.495 -0.319 20 0 FBADRP C[C@@H]1[C@H](C(=O)N[C@]2(CO)CCCN(CC(=O)N3CCC3)C2)CC[N@@H+]1C ZINC001279488847 846906525 /nfs/dbraw/zinc/90/65/25/846906525.db2.gz AHUPJTSTRFNPLS-IIDMSEBBSA-N 2 0 352.479 -0.498 20 0 FBADRP C[C@@H]1[C@H](C(=O)N[C@@]2(CO)CCCN(CC(=O)N3CCC3)C2)CC[N@@H+]1C ZINC001279488848 846905846 /nfs/dbraw/zinc/90/58/46/846905846.db2.gz AHUPJTSTRFNPLS-RKVPGOIHSA-N 2 0 352.479 -0.498 20 0 FBADRP C[C@@H]1[C@H](C(=O)N[C@]2(CO)CCCN(CC(=O)NC3CC3)C2)CC[N@@H+]1C ZINC001279489955 846905604 /nfs/dbraw/zinc/90/56/04/846905604.db2.gz JABLKEFLDLKUNR-DDUZABMNSA-N 2 0 352.479 -0.452 20 0 FBADRP C[C@@H]1[C@H](C(=O)N[C@@]2(CO)CCCN(CC(=O)NC3CC3)C2)CC[N@@H+]1C ZINC001279489956 846905670 /nfs/dbraw/zinc/90/56/70/846905670.db2.gz JABLKEFLDLKUNR-SIIHOXLZSA-N 2 0 352.479 -0.452 20 0 FBADRP COCCOCC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001279491358 846906824 /nfs/dbraw/zinc/90/68/24/846906824.db2.gz RCYMLTHOULINDN-JFIYKMOQSA-N 2 0 357.495 -0.067 20 0 FBADRP COCCOCC[N@@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001279491361 846906682 /nfs/dbraw/zinc/90/66/82/846906682.db2.gz RCYMLTHOULINDN-NUJGCVRESA-N 2 0 357.495 -0.067 20 0 FBADRP CC[NH+]1CCC(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3S(=O)(=O)N(C)C)CC1 ZINC001279502780 846906267 /nfs/dbraw/zinc/90/62/67/846906267.db2.gz XAOJDJXFTUPTSK-CVEARBPZSA-N 2 0 360.524 -0.090 20 0 FBADRP CC[NH+]1CCC(C[N@@H+]2C[C@@H]3OCCN(S(=O)(=O)N(C)C)[C@H]3C2)CC1 ZINC001279502781 846906614 /nfs/dbraw/zinc/90/66/14/846906614.db2.gz XAOJDJXFTUPTSK-HOTGVXAUSA-N 2 0 360.524 -0.090 20 0 FBADRP COC(C[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](CCN(C)C)C[C@@H]12)OC ZINC001279586871 846914903 /nfs/dbraw/zinc/91/49/03/846914903.db2.gz IIJQWDOMJFTIGD-GJZGRUSLSA-N 2 0 354.495 -0.321 20 0 FBADRP COC(C[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](CCN(C)C)C[C@H]12)OC ZINC001279586875 846915238 /nfs/dbraw/zinc/91/52/38/846915238.db2.gz IIJQWDOMJFTIGD-HUUCEWRRSA-N 2 0 354.495 -0.321 20 0 FBADRP CN(C)S(=O)(=O)N1CCO[C@]2(CCC[N@H+](CC3CC[NH2+]CC3)C2)C1 ZINC001279615173 846917480 /nfs/dbraw/zinc/91/74/80/846917480.db2.gz MDFRAICJPIVAIF-INIZCTEOSA-N 2 0 360.524 -0.041 20 0 FBADRP CN(C)S(=O)(=O)N1CCO[C@@]2(CCC[N@H+](CC3CC[NH2+]CC3)C2)C1 ZINC001279615174 846917646 /nfs/dbraw/zinc/91/76/46/846917646.db2.gz MDFRAICJPIVAIF-MRXNPFEDSA-N 2 0 360.524 -0.041 20 0 FBADRP Cn1cnc(S(=O)(=O)N2CCO[C@H]3C[N@H+](CC4CC[NH2+]CC4)C[C@H]32)c1 ZINC001279615515 846917232 /nfs/dbraw/zinc/91/72/32/846917232.db2.gz SIFDKSDYVPQQRG-CABCVRRESA-N 2 0 369.491 -0.507 20 0 FBADRP Cn1cnc(S(=O)(=O)N2CCO[C@H]3C[N@H+](CC4CC[NH2+]CC4)C[C@@H]32)c1 ZINC001279615516 846917190 /nfs/dbraw/zinc/91/71/90/846917190.db2.gz SIFDKSDYVPQQRG-GJZGRUSLSA-N 2 0 369.491 -0.507 20 0 FBADRP C[NH+](C)CCN1CCO[C@H]2C[N@H+](CC3CCN(S(C)(=O)=O)CC3)C[C@@H]21 ZINC001279616470 846918176 /nfs/dbraw/zinc/91/81/76/846918176.db2.gz KUUCLPMXDYKYIF-IRXDYDNUSA-N 2 0 374.551 -0.395 20 0 FBADRP C[NH+](C)CCN1CCO[C@H]2C[N@H+](CC3CCN(S(C)(=O)=O)CC3)C[C@H]21 ZINC001279616471 846918752 /nfs/dbraw/zinc/91/87/52/846918752.db2.gz KUUCLPMXDYKYIF-SJORKVTESA-N 2 0 374.551 -0.395 20 0 FBADRP C[NH+](C)CCN1C[C@@H]2C[N@@H+](CC3CCN(S(C)(=O)=O)CC3)C[C@H](C1)O2 ZINC001279617377 846918445 /nfs/dbraw/zinc/91/84/45/846918445.db2.gz ZOLBOILBMGQDHT-CALCHBBNSA-N 2 0 374.551 -0.395 20 0 FBADRP CN(C)S(=O)(=O)N1CCO[C@H]2C[N@H+](CCC3CC[NH+](C)CC3)C[C@H]21 ZINC001279619410 846918485 /nfs/dbraw/zinc/91/84/85/846918485.db2.gz AXNRKWGROGKWTC-CVEARBPZSA-N 2 0 360.524 -0.090 20 0 FBADRP CN(C)S(=O)(=O)N1CCO[C@H]2C[N@H+](CCC3CC[NH+](C)CC3)C[C@@H]21 ZINC001279619411 846918428 /nfs/dbraw/zinc/91/84/28/846918428.db2.gz AXNRKWGROGKWTC-HOTGVXAUSA-N 2 0 360.524 -0.090 20 0 FBADRP C[C@@H]1[C@H](C(=O)N(CCO)CC[NH2+]CC(=O)NC2CCCC2)CC[N@@H+]1C ZINC001279716393 846922218 /nfs/dbraw/zinc/92/22/18/846922218.db2.gz AMCCVDVVWMBIIQ-GDBMZVCRSA-N 2 0 354.495 -0.204 20 0 FBADRP C[C@@H]1[C@H](C(=O)N(CCO)CC[NH2+]CC(=O)Nc2nncs2)CC[N@@H+]1C ZINC001279716436 846923318 /nfs/dbraw/zinc/92/33/18/846923318.db2.gz CEINEAZHNLHCHH-VXGBXAGGSA-N 2 0 370.479 -0.773 20 0 FBADRP COCCN1C[C@@H]2C(C(=O)Nc3cnn(CC[NH+](C)C)c3)=NO[C@@H]2C1 ZINC001279721502 846922742 /nfs/dbraw/zinc/92/27/42/846922742.db2.gz VJXFWEUPFYWIRA-UONOGXRCSA-N 2 0 350.423 -0.284 20 0 FBADRP COCCN1CCn2c(nnc2C(=O)NC2CC[NH+](C)CC2)C[C@H]1C ZINC001279723101 846923196 /nfs/dbraw/zinc/92/31/96/846923196.db2.gz VXHUMONBGNEXIR-CYBMUJFWSA-N 2 0 350.467 -0.005 20 0 FBADRP COCCN1CCn2c(nnc2C(=O)NC2CC[NH+](C)CC2)C[C@@H]1C ZINC001279723102 846923494 /nfs/dbraw/zinc/92/34/94/846923494.db2.gz VXHUMONBGNEXIR-ZDUSSCGKSA-N 2 0 350.467 -0.005 20 0 FBADRP CN(C)C(=O)C[N@@H+]1C[C@H]2C[C@H](CC(=O)NC3CC[NH+](C)CC3)O[C@H]2C1 ZINC001279914527 846946406 /nfs/dbraw/zinc/94/64/06/846946406.db2.gz RWHUTSCDWRIJAQ-BMFZPTHFSA-N 2 0 352.479 -0.236 20 0 FBADRP CN(C)C(=O)C[N@@H+]1C[C@H]2C[C@@H](CC(=O)NC3CC[NH+](C)CC3)O[C@H]2C1 ZINC001279914528 846946504 /nfs/dbraw/zinc/94/65/04/846946504.db2.gz RWHUTSCDWRIJAQ-KBMXLJTQSA-N 2 0 352.479 -0.236 20 0 FBADRP C[NH+](C)CCNC(=S)N1C[C@@H]2COC[C@H](C1)N2CCn1ccnc1 ZINC001279976195 846952635 /nfs/dbraw/zinc/95/26/35/846952635.db2.gz ZRUDRSYMWXWGHB-GASCZTMLSA-N 2 0 352.508 -0.296 20 0 FBADRP CN(C)C(=O)C[N@H+]1CC[C@H]2C[NH+](CC(=O)N3CCOCC3)C[C@H]2CC1 ZINC001280021575 846959005 /nfs/dbraw/zinc/95/90/05/846959005.db2.gz LHRSTURHGDKSRU-IYBDPMFKSA-N 2 0 352.479 -0.423 20 0 FBADRP CN(C)C(=O)C[NH2+][C@@]12CC[C@@]([NH2+]CC(=O)N3CCOCC3)(C1)CCC2 ZINC001280022034 846958488 /nfs/dbraw/zinc/95/84/88/846958488.db2.gz LMGBGRGOKIJTEJ-ZWKOTPCHSA-N 2 0 352.479 -0.042 20 0 FBADRP C[NH+](C)CCN1CCO[C@]2(CCCN(CC(=O)N3CCOCC3)C2)C1 ZINC001280024703 846960263 /nfs/dbraw/zinc/96/02/63/846960263.db2.gz XWGAJKAIKMFVNZ-GOSISDBHSA-N 2 0 354.495 -0.426 20 0 FBADRP C[NH+](C)CCN1CCO[C@@]2(CCCN(CC(=O)N3CCOCC3)C2)C1 ZINC001280024704 846960143 /nfs/dbraw/zinc/96/01/43/846960143.db2.gz XWGAJKAIKMFVNZ-SFHVURJKSA-N 2 0 354.495 -0.426 20 0 FBADRP COC(=O)[C@@H](C)C[N@H+]1C[C@@H]2C(C(=O)NC3CC[NH+](C)CC3)=NO[C@@H]2C1 ZINC001280025245 846960404 /nfs/dbraw/zinc/96/04/04/846960404.db2.gz BBSIWFIDYSDAQO-FPMFFAJLSA-N 2 0 352.435 -0.308 20 0 FBADRP COC(=O)[C@H](C)C[N@H+]1C[C@@H]2C(C(=O)NC3CC[NH+](C)CC3)=NO[C@@H]2C1 ZINC001280025246 846960063 /nfs/dbraw/zinc/96/00/63/846960063.db2.gz BBSIWFIDYSDAQO-KWCYVHTRSA-N 2 0 352.435 -0.308 20 0 FBADRP C[NH+](C)CCN1CC[N@H+](C[C@@H]2COCCO2)C[C@]2(CCCC(=O)N2)C1 ZINC001280029015 846962244 /nfs/dbraw/zinc/96/22/44/846962244.db2.gz SQBOIEWABLFXPY-AEFFLSMTSA-N 2 0 354.495 -0.380 20 0 FBADRP C[NH+](C)CCN1CC[N@H+](C[C@H]2COCCO2)C[C@@]2(CCCC(=O)N2)C1 ZINC001280029016 846962508 /nfs/dbraw/zinc/96/25/08/846962508.db2.gz SQBOIEWABLFXPY-FUHWJXTLSA-N 2 0 354.495 -0.380 20 0 FBADRP C[NH+](C)CCN1CC[N@H+](C[C@@H]2COCCO2)C[C@@]2(CCCC(=O)N2)C1 ZINC001280029017 846962046 /nfs/dbraw/zinc/96/20/46/846962046.db2.gz SQBOIEWABLFXPY-SJLPKXTDSA-N 2 0 354.495 -0.380 20 0 FBADRP C[NH+](C)CCN1CC[N@H+](C[C@H]2COCCO2)C[C@]2(CCCC(=O)N2)C1 ZINC001280029018 846962594 /nfs/dbraw/zinc/96/25/94/846962594.db2.gz SQBOIEWABLFXPY-WMZOPIPTSA-N 2 0 354.495 -0.380 20 0 FBADRP CN(C)CC[N@H+]1CC[C@H]2C[NH+](CC(=O)N3CCN(C)CC3)C[C@H]2CC1 ZINC001280073899 846971452 /nfs/dbraw/zinc/97/14/52/846971452.db2.gz JHYAQWPMEILHFL-HDICACEKSA-N 2 0 351.539 -0.034 20 0 FBADRP CN(C)C(=O)CC[N@@H+]1CCN(CC[NH+](C)C)C[C@@]2(CCCC(=O)N2)C1 ZINC001280074319 846972187 /nfs/dbraw/zinc/97/21/87/846972187.db2.gz CLFZUVHCPFGDTK-GOSISDBHSA-N 2 0 353.511 -0.317 20 0 FBADRP CN(C)C(=O)CC[N@@H+]1CCN(CC[NH+](C)C)C[C@]2(CCCC(=O)N2)C1 ZINC001280074320 846972142 /nfs/dbraw/zinc/97/21/42/846972142.db2.gz CLFZUVHCPFGDTK-SFHVURJKSA-N 2 0 353.511 -0.317 20 0 FBADRP COCOCCC[N@H+]1C[C@@H]2C(C(=O)NC3CC[NH+](C)CC3)=NO[C@@H]2C1 ZINC001280090422 846975498 /nfs/dbraw/zinc/97/54/98/846975498.db2.gz SDJPGTRTJSZYOJ-LSDHHAIUSA-N 2 0 354.451 -0.106 20 0 FBADRP CCOC(=O)CCN1C[C@@H]2C(C(=O)NC3CC[NH+](C)CC3)=NO[C@@H]2C1 ZINC001280091592 846975879 /nfs/dbraw/zinc/97/58/79/846975879.db2.gz VXBGFHOZSGHSOB-UONOGXRCSA-N 2 0 352.435 -0.163 20 0 FBADRP CN(C)C(=O)CNC(=O)C1=NO[C@@H]2C[N@H+](CC3CC[NH+](C)CC3)C[C@H]12 ZINC001280125931 846977845 /nfs/dbraw/zinc/97/78/45/846977845.db2.gz PVWVJGCDHHVWCM-UONOGXRCSA-N 2 0 351.451 -0.781 20 0 FBADRP CN(C)C(=O)CNC(=O)[C@@H]1CCSC12C[NH+](CC1CC[NH2+]CC1)C2 ZINC001280136746 846980582 /nfs/dbraw/zinc/98/05/82/846980582.db2.gz DYJXRSNCODOLOU-AWEZNQCLSA-N 2 0 354.520 -0.002 20 0 FBADRP CN(C)C(=O)CNC(=O)[C@H]1CCSC12C[NH+](CC1CC[NH2+]CC1)C2 ZINC001280136747 846980636 /nfs/dbraw/zinc/98/06/36/846980636.db2.gz DYJXRSNCODOLOU-CQSZACIVSA-N 2 0 354.520 -0.002 20 0 FBADRP CS(=O)(=O)CCNC(=O)C[C@H]1C[C@@H]2C[N@H+](CC3CC[NH2+]CC3)C[C@@H]2O1 ZINC001280137261 846980084 /nfs/dbraw/zinc/98/00/84/846980084.db2.gz ITYIZSHGAAKPQL-OAGGEKHMSA-N 2 0 373.519 -0.374 20 0 FBADRP CS(=O)(=O)CCNC(=O)C[C@@H]1C[C@@H]2C[N@H+](CC3CC[NH2+]CC3)C[C@@H]2O1 ZINC001280137264 846980453 /nfs/dbraw/zinc/98/04/53/846980453.db2.gz ITYIZSHGAAKPQL-PMPSAXMXSA-N 2 0 373.519 -0.374 20 0 FBADRP Cn1nnnc1NC(=O)[C@H]1CCSC12C[NH+](CC1CC[NH2+]CC1)C2 ZINC001280137536 846980290 /nfs/dbraw/zinc/98/02/90/846980290.db2.gz JYQZDBVMBWEBJW-GFCCVEGCSA-N 2 0 351.480 -0.044 20 0 FBADRP Cn1nnnc1NC(=O)[C@@H]1CCSC12C[NH+](CC1CC[NH2+]CC1)C2 ZINC001280137538 846980119 /nfs/dbraw/zinc/98/01/19/846980119.db2.gz JYQZDBVMBWEBJW-LBPRGKRZSA-N 2 0 351.480 -0.044 20 0 FBADRP CN(C)C(=O)CNC(=O)C[C@H]1C[C@@H]2C[N@H+](CC3CC[NH2+]CC3)C[C@@H]2O1 ZINC001280137622 846980529 /nfs/dbraw/zinc/98/05/29/846980529.db2.gz LVEMYFJQIFUKTK-OAGGEKHMSA-N 2 0 352.479 -0.330 20 0 FBADRP CN(C)C(=O)CNC(=O)C[C@@H]1C[C@@H]2C[N@H+](CC3CC[NH2+]CC3)C[C@@H]2O1 ZINC001280137624 846980590 /nfs/dbraw/zinc/98/05/90/846980590.db2.gz LVEMYFJQIFUKTK-PMPSAXMXSA-N 2 0 352.479 -0.330 20 0 FBADRP CN(C)C(=O)CNC(=O)[C@@H]1COCCC12C[NH+](CC1CC[NH2+]CC1)C2 ZINC001280137835 846980317 /nfs/dbraw/zinc/98/03/17/846980317.db2.gz NSCSIZIIIBXRLT-HNNXBMFYSA-N 2 0 352.479 -0.471 20 0 FBADRP CN(C)C(=O)CNC(=O)[C@H]1COCCC12C[NH+](CC1CC[NH2+]CC1)C2 ZINC001280137837 846980130 /nfs/dbraw/zinc/98/01/30/846980130.db2.gz NSCSIZIIIBXRLT-OAHLLOKOSA-N 2 0 352.479 -0.471 20 0 FBADRP CS(=O)(=O)CCNC(=O)[C@@H]1COCCC12C[NH+](CC1CC[NH2+]CC1)C2 ZINC001280137952 846980661 /nfs/dbraw/zinc/98/06/61/846980661.db2.gz QWTBTBJLOYZSEG-HNNXBMFYSA-N 2 0 373.519 -0.515 20 0 FBADRP CS(=O)(=O)CCNC(=O)[C@H]1COCCC12C[NH+](CC1CC[NH2+]CC1)C2 ZINC001280137953 846980624 /nfs/dbraw/zinc/98/06/24/846980624.db2.gz QWTBTBJLOYZSEG-OAHLLOKOSA-N 2 0 373.519 -0.515 20 0 FBADRP CCOCC[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]12 ZINC001280152273 846982572 /nfs/dbraw/zinc/98/25/72/846982572.db2.gz QXFOIVUTSIYRHV-GJZGRUSLSA-N 2 0 352.479 -0.377 20 0 FBADRP CCOCC[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]12 ZINC001280152275 846982159 /nfs/dbraw/zinc/98/21/59/846982159.db2.gz QXFOIVUTSIYRHV-HUUCEWRRSA-N 2 0 352.479 -0.377 20 0 FBADRP COC(=O)CC[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](CCN(C)C)C[C@@H]12 ZINC001280153999 846982843 /nfs/dbraw/zinc/98/28/43/846982843.db2.gz BTUVPOUVVKXLNR-GJZGRUSLSA-N 2 0 352.479 -0.377 20 0 FBADRP COC(=O)CC[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](CCN(C)C)C[C@H]12 ZINC001280154000 846982702 /nfs/dbraw/zinc/98/27/02/846982702.db2.gz BTUVPOUVVKXLNR-HUUCEWRRSA-N 2 0 352.479 -0.377 20 0 FBADRP CC(=O)[C@@H](C)N1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]12 ZINC001280160404 846983546 /nfs/dbraw/zinc/98/35/46/846983546.db2.gz LABLJPFUHIZDSV-BPLDGKMQSA-N 2 0 350.463 -0.436 20 0 FBADRP CC(=O)[C@H](C)N1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]12 ZINC001280160406 846984320 /nfs/dbraw/zinc/98/43/20/846984320.db2.gz LABLJPFUHIZDSV-NWANDNLSSA-N 2 0 350.463 -0.436 20 0 FBADRP CC(=O)[C@H](C)N1CCC2(CC1)NC(=O)[C@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]12 ZINC001280160409 846983504 /nfs/dbraw/zinc/98/35/04/846983504.db2.gz LABLJPFUHIZDSV-QEJZJMRPSA-N 2 0 350.463 -0.436 20 0 FBADRP CC(=O)[C@@H](C)N1CCC2(CC1)NC(=O)[C@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]12 ZINC001280160411 846983531 /nfs/dbraw/zinc/98/35/31/846983531.db2.gz LABLJPFUHIZDSV-SNPRPXQTSA-N 2 0 350.463 -0.436 20 0 FBADRP CC(=O)NCC[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](CCN(C)C)C[C@@H]12 ZINC001280173361 846985585 /nfs/dbraw/zinc/98/55/85/846985585.db2.gz LTDUVVZBHARNGI-HOTGVXAUSA-N 2 0 351.495 -0.804 20 0 FBADRP CC(=O)NCC[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](CCN(C)C)C[C@H]12 ZINC001280173362 846985754 /nfs/dbraw/zinc/98/57/54/846985754.db2.gz LTDUVVZBHARNGI-HZPDHXFCSA-N 2 0 351.495 -0.804 20 0 FBADRP COCCOC[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](C[C@H](C)CO)CC3)[C@@H]2C1 ZINC001280201524 846988713 /nfs/dbraw/zinc/98/87/13/846988713.db2.gz SMTNYSWSPTXCGH-ARFHVFGLSA-N 2 0 355.479 -0.252 20 0 FBADRP COCCOC[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](C[C@H](C)CO)CC3)[C@H]2C1 ZINC001280201525 846988789 /nfs/dbraw/zinc/98/87/89/846988789.db2.gz SMTNYSWSPTXCGH-JYJNAYRXSA-N 2 0 355.479 -0.252 20 0 FBADRP C[C@H](CO)C[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]12 ZINC001280202208 846990308 /nfs/dbraw/zinc/99/03/08/846990308.db2.gz XPZCKZDGDCLIHP-KKUMJFAQSA-N 2 0 352.479 -0.785 20 0 FBADRP C[C@H](CO)C[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]12 ZINC001280202209 846990000 /nfs/dbraw/zinc/99/00/00/846990000.db2.gz XPZCKZDGDCLIHP-RRFJBIMHSA-N 2 0 352.479 -0.785 20 0 FBADRP CN(C)S(=O)(=O)N1CC2(C1)CC[NH+](CCCN1CC[NH+](C)CC1)CC2 ZINC001280245273 846997049 /nfs/dbraw/zinc/99/70/49/846997049.db2.gz CEQHUQXEIRLAFH-UHFFFAOYSA-N 2 0 373.567 -0.172 20 0 FBADRP CN(C)C(=O)CN1CCO[C@H]2C[N@H+](CCCN3CC[NH+](C)CC3)C[C@@H]21 ZINC001280245322 846996725 /nfs/dbraw/zinc/99/67/25/846996725.db2.gz FHKFSSTUHXZUCT-IRXDYDNUSA-N 2 0 353.511 -0.903 20 0 FBADRP CN(C)C(=O)CN1CCO[C@H]2C[N@H+](CCCN3CC[NH+](C)CC3)C[C@H]21 ZINC001280245421 846996672 /nfs/dbraw/zinc/99/66/72/846996672.db2.gz FHKFSSTUHXZUCT-SJORKVTESA-N 2 0 353.511 -0.903 20 0 FBADRP CN(C)S(=O)(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2CCCN1CC[NH+](C)CC1 ZINC001280245751 846997301 /nfs/dbraw/zinc/99/73/01/846997301.db2.gz JTQCIXUDNHCUSK-HOTGVXAUSA-N 2 0 359.540 -0.421 20 0 FBADRP COCCOCN1CCO[C@H]2C[N@H+](CCCN3CC[NH+](C)CC3)C[C@H]21 ZINC001280246007 846997250 /nfs/dbraw/zinc/99/72/50/846997250.db2.gz OLXBOOBDEDLDLA-MSOLQXFVSA-N 2 0 356.511 -0.371 20 0 FBADRP COCCOCN1CCO[C@H]2C[N@H+](CCCN3CC[NH+](C)CC3)C[C@@H]21 ZINC001280246008 846997100 /nfs/dbraw/zinc/99/71/00/846997100.db2.gz OLXBOOBDEDLDLA-ROUUACIJSA-N 2 0 356.511 -0.371 20 0 FBADRP CN(C)C(=O)CN1[C@H]2COC[C@@H]1C[N@H+](CCCN1CC[NH+](C)CC1)C2 ZINC001280246165 846996949 /nfs/dbraw/zinc/99/69/49/846996949.db2.gz RTDCLQBSWBTSSO-CALCHBBNSA-N 2 0 353.511 -0.903 20 0 FBADRP CN(C)S(=O)(=O)N1CC2(C1)CCC[N@H+](CCCN1CC[NH+](C)CC1)C2 ZINC001280246420 846996870 /nfs/dbraw/zinc/99/68/70/846996870.db2.gz XZHVOOADPPTCBA-UHFFFAOYSA-N 2 0 373.567 -0.172 20 0 FBADRP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CCN3C(=O)CNC3=O)CCC2)CC[N@@H+]1C ZINC001280480104 847013507 /nfs/dbraw/zinc/01/35/07/847013507.db2.gz BBXANPBXKBMRRZ-CHWSQXEVSA-N 2 0 351.451 -0.493 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CC(CCO)(NC(=O)C[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC001280555867 847017572 /nfs/dbraw/zinc/01/75/72/847017572.db2.gz NBGPWLIDBUKUQR-HUUCEWRRSA-N 2 0 352.479 -0.498 20 0 FBADRP CC(C)[N@H+](C)CC(=O)NC1(CCO)CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001280555964 847017746 /nfs/dbraw/zinc/01/77/46/847017746.db2.gz BBRBZLFEICURMX-HUUCEWRRSA-N 2 0 354.495 -0.254 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)NC2(CCO)CN(C(=O)CC[NH+](C)C)C2)CC[N@@H+]1C ZINC001280556043 847017640 /nfs/dbraw/zinc/01/76/40/847017640.db2.gz AGNWMCOJHOPCII-LSDHHAIUSA-N 2 0 354.495 -0.252 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CC(CCO)(NC(=O)[C@H]3CC[NH+](C)C3)C2)CC[N@@H+]1C ZINC001280556414 847018105 /nfs/dbraw/zinc/01/81/05/847018105.db2.gz SLFOMGPNEDMZCL-QLFBSQMISA-N 2 0 352.479 -0.642 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CC(CCO)(NC(=O)[C@@H]3CC[NH+](C)C3)C2)CC[N@@H+]1C ZINC001280556420 847018002 /nfs/dbraw/zinc/01/80/02/847018002.db2.gz SLFOMGPNEDMZCL-RBSFLKMASA-N 2 0 352.479 -0.642 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N2CC(CCO)(NC(=O)CC[NH+](C)C)C2)CC[N@@H+]1C ZINC001280564671 847019509 /nfs/dbraw/zinc/01/95/09/847019509.db2.gz WLUBQNDZGIODEU-LSDHHAIUSA-N 2 0 354.495 -0.252 20 0 FBADRP CC(C)CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCO1 ZINC001280585561 847020172 /nfs/dbraw/zinc/02/01/72/847020172.db2.gz XWVPJBDIJAXTQV-BZUAXINKSA-N 2 0 354.495 -0.084 20 0 FBADRP CC(C)CNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCO1 ZINC001280585562 847020135 /nfs/dbraw/zinc/02/01/35/847020135.db2.gz XWVPJBDIJAXTQV-OWCLPIDISA-N 2 0 354.495 -0.084 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](C[NH2+]CCS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001280585599 847020581 /nfs/dbraw/zinc/02/05/81/847020581.db2.gz YRQYLQXRGVSHMP-QLFBSQMISA-N 2 0 361.508 -0.422 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](C[NH2+]CCS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001280585600 847020288 /nfs/dbraw/zinc/02/02/88/847020288.db2.gz YRQYLQXRGVSHMP-SOUVJXGZSA-N 2 0 361.508 -0.422 20 0 FBADRP C[C@@H]1[C@H](C(=O)N(C)CCC[NH+](C)CC(=O)N2CCOCC2)CC[N@@H+]1C ZINC001280814926 847023428 /nfs/dbraw/zinc/02/34/28/847023428.db2.gz VCQQFMOZPIVMNA-HZPDHXFCSA-N 2 0 354.495 -0.034 20 0 FBADRP C[C@@H]1[C@H](C(=O)NCCOCCN(C)C(=O)[C@@H]2CC[NH+](C)C2)CC[N@@H+]1C ZINC001280908923 847026224 /nfs/dbraw/zinc/02/62/24/847026224.db2.gz ZDCCILOTACSGCS-BZUAXINKSA-N 2 0 354.495 -0.131 20 0 FBADRP C[C@@H]1[C@H](C(=O)NCCOCCN(C)C(=O)[C@H]2CC[NH+](C)C2)CC[N@@H+]1C ZINC001280908924 847025888 /nfs/dbraw/zinc/02/58/88/847025888.db2.gz ZDCCILOTACSGCS-OWCLPIDISA-N 2 0 354.495 -0.131 20 0 FBADRP C[C@@H]1[C@H](C(=O)N[C@@H](CO)CNC(=O)CC[NH+]2CCCCC2)CC[N@@H+]1C ZINC001281090330 847034440 /nfs/dbraw/zinc/03/44/40/847034440.db2.gz IENUVUNHFCLPTL-BZUAXINKSA-N 2 0 354.495 -0.204 20 0 FBADRP C[C@@H]1[C@H](C(=O)N[C@H](CO)CNC(=O)CC[NH+]2CCCCC2)CC[N@@H+]1C ZINC001281090332 847034524 /nfs/dbraw/zinc/03/45/24/847034524.db2.gz IENUVUNHFCLPTL-OWCLPIDISA-N 2 0 354.495 -0.204 20 0 FBADRP COCCOCC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001281121602 847040801 /nfs/dbraw/zinc/04/08/01/847040801.db2.gz UCRCMZQISBRXKR-JFIYKMOQSA-N 2 0 357.495 -0.067 20 0 FBADRP COCCOCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001281121603 847041246 /nfs/dbraw/zinc/04/12/46/847041246.db2.gz UCRCMZQISBRXKR-NUJGCVRESA-N 2 0 357.495 -0.067 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@](CO)([NH2+]CC(=O)N3CCC3)C2)CC[N@@H+]1C ZINC001281121636 847040727 /nfs/dbraw/zinc/04/07/27/847040727.db2.gz URKDDGZQGKQVKB-IIDMSEBBSA-N 2 0 352.479 -0.498 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CCC[C@](CO)([NH2+]CC(=O)N3CCC3)C2)CC[N@@H+]1C ZINC001281121637 847041067 /nfs/dbraw/zinc/04/10/67/847041067.db2.gz URKDDGZQGKQVKB-RKVPGOIHSA-N 2 0 352.479 -0.498 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@](CO)([NH2+]CC(=O)NC3CC3)C2)CC[N@@H+]1C ZINC001281122188 847041539 /nfs/dbraw/zinc/04/15/39/847041539.db2.gz YFVJMLQMGDLGGC-DDUZABMNSA-N 2 0 352.479 -0.452 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CCC[C@](CO)([NH2+]CC(=O)NC3CC3)C2)CC[N@@H+]1C ZINC001281122189 847041353 /nfs/dbraw/zinc/04/13/53/847041353.db2.gz YFVJMLQMGDLGGC-SIIHOXLZSA-N 2 0 352.479 -0.452 20 0 FBADRP CC[NH+](CC)CC(=O)N1CC[C@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]21 ZINC001281617125 847062555 /nfs/dbraw/zinc/06/25/55/847062555.db2.gz YFDMVHZPKOJFCI-JKSUJKDBSA-N 2 0 354.495 -0.034 20 0 FBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]21 ZINC001281624186 847066918 /nfs/dbraw/zinc/06/69/18/847066918.db2.gz KYQVQFBTUQEFRM-JKSUJKDBSA-N 2 0 354.495 -0.034 20 0 FBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1O ZINC001281668523 847101071 /nfs/dbraw/zinc/10/10/71/847101071.db2.gz BADXFKPLKYSDLK-BZUAXINKSA-N 2 0 354.495 -0.111 20 0 FBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1O ZINC001281668524 847100992 /nfs/dbraw/zinc/10/09/92/847100992.db2.gz BADXFKPLKYSDLK-OWCLPIDISA-N 2 0 354.495 -0.111 20 0 FBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001281671223 847102416 /nfs/dbraw/zinc/10/24/16/847102416.db2.gz CICVCENMMUOBQA-ARFHVFGLSA-N 2 0 352.479 -0.642 20 0 FBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001281671224 847102313 /nfs/dbraw/zinc/10/23/13/847102313.db2.gz CICVCENMMUOBQA-BZUAXINKSA-N 2 0 352.479 -0.642 20 0 FBADRP CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@H]1O ZINC001281671249 847102638 /nfs/dbraw/zinc/10/26/38/847102638.db2.gz DKUPCELNJWJHSD-BZUAXINKSA-N 2 0 354.495 -0.110 20 0 FBADRP CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@H]1O ZINC001281671250 847102294 /nfs/dbraw/zinc/10/22/94/847102294.db2.gz DKUPCELNJWJHSD-OWCLPIDISA-N 2 0 354.495 -0.110 20 0 FBADRP CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1O ZINC001281671258 847102398 /nfs/dbraw/zinc/10/23/98/847102398.db2.gz DLTHKPTXHIVRTN-HZPDHXFCSA-N 2 0 354.495 -0.108 20 0 FBADRP C[NH+](C)CCCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001281672131 847103765 /nfs/dbraw/zinc/10/37/65/847103765.db2.gz MDZQTTZMLQXMMP-ARFHVFGLSA-N 2 0 352.479 -0.642 20 0 FBADRP C[NH+](C)CCCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001281672133 847103431 /nfs/dbraw/zinc/10/34/31/847103431.db2.gz MDZQTTZMLQXMMP-BZUAXINKSA-N 2 0 352.479 -0.642 20 0 FBADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001281674846 847105854 /nfs/dbraw/zinc/10/58/54/847105854.db2.gz QODHXIHATKVDQO-KLHDSHLOSA-N 2 0 354.495 -0.254 20 0 FBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CC[NH+](C)CC)C[C@H]1O ZINC001281678257 847108638 /nfs/dbraw/zinc/10/86/38/847108638.db2.gz CLYDFIGILMCYDS-BZUAXINKSA-N 2 0 354.495 -0.110 20 0 FBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CC[NH+](C)CC)C[C@H]1O ZINC001281678258 847108421 /nfs/dbraw/zinc/10/84/21/847108421.db2.gz CLYDFIGILMCYDS-OWCLPIDISA-N 2 0 354.495 -0.110 20 0 FBADRP C[NH+](C)C1(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@H]2O)CCC1 ZINC001281679404 847110524 /nfs/dbraw/zinc/11/05/24/847110524.db2.gz QHBLCOAIESRVCW-QLFBSQMISA-N 2 0 352.479 -0.357 20 0 FBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001281679740 847111528 /nfs/dbraw/zinc/11/15/28/847111528.db2.gz VOLZHRANYWXTJL-BZUAXINKSA-N 2 0 354.495 -0.111 20 0 FBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001281679741 847111496 /nfs/dbraw/zinc/11/14/96/847111496.db2.gz VOLZHRANYWXTJL-OWCLPIDISA-N 2 0 354.495 -0.111 20 0 FBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001281680760 847113649 /nfs/dbraw/zinc/11/36/49/847113649.db2.gz OZXDEXNZUTXROB-HZPDHXFCSA-N 2 0 354.495 -0.108 20 0 FBADRP CC[NH+](CC)CC(=O)N1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001281681797 847115028 /nfs/dbraw/zinc/11/50/28/847115028.db2.gz VUKJBWDZWPVPPO-HZPDHXFCSA-N 2 0 354.495 -0.108 20 0 FBADRP CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1)[NH+](C)C ZINC001281682156 847114555 /nfs/dbraw/zinc/11/45/55/847114555.db2.gz YGWGYYDIXCORHK-BZUAXINKSA-N 2 0 354.495 -0.110 20 0 FBADRP C[N@H+](CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCC[NH+]2C)C[C@H]1O)C1CCC1 ZINC001281683964 847115732 /nfs/dbraw/zinc/11/57/32/847115732.db2.gz LMUDHEDVQDWXDD-BZUAXINKSA-N 2 0 352.479 -0.357 20 0 FBADRP C[N@H+](CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[NH+]2C)C[C@H]1O)C1CCC1 ZINC001281683965 847116032 /nfs/dbraw/zinc/11/60/32/847116032.db2.gz LMUDHEDVQDWXDD-OWCLPIDISA-N 2 0 352.479 -0.357 20 0 FBADRP C[N@H+](CC(=O)N[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1O)C1CCC1 ZINC001281684418 847116881 /nfs/dbraw/zinc/11/68/81/847116881.db2.gz NNUMAYRVYDNGHA-HZPDHXFCSA-N 2 0 352.479 -0.500 20 0 FBADRP CC[C@H](C(=O)N[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1O)[NH+](C)C ZINC001281686837 847117896 /nfs/dbraw/zinc/11/78/96/847117896.db2.gz VMRNCKDXRMCZDW-BZUAXINKSA-N 2 0 354.495 -0.110 20 0 FBADRP C[NH+](C)CCCCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001281691527 847124589 /nfs/dbraw/zinc/12/45/89/847124589.db2.gz VTKWQTIHBGSQFE-BZUAXINKSA-N 2 0 354.495 -0.110 20 0 FBADRP C[NH+](C)CCCCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001281691528 847124538 /nfs/dbraw/zinc/12/45/38/847124538.db2.gz VTKWQTIHBGSQFE-OWCLPIDISA-N 2 0 354.495 -0.110 20 0 FBADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001281695420 847129307 /nfs/dbraw/zinc/12/93/07/847129307.db2.gz XZIKZVMBIRGMBH-RBSFLKMASA-N 2 0 354.495 -0.254 20 0 FBADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001281695422 847129552 /nfs/dbraw/zinc/12/95/52/847129552.db2.gz XZIKZVMBIRGMBH-RRFJBIMHSA-N 2 0 354.495 -0.254 20 0 FBADRP CC(C)[C@H](C(=O)N[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1O)[NH+](C)C ZINC001281697947 847131392 /nfs/dbraw/zinc/13/13/92/847131392.db2.gz ALFAYOCNZJKVQV-BFYDXBDKSA-N 2 0 356.511 -0.008 20 0 FBADRP CC(C)[C@@H](C(=O)N[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1O)[NH+](C)C ZINC001281697948 847131055 /nfs/dbraw/zinc/13/10/55/847131055.db2.gz ALFAYOCNZJKVQV-INMHGKMJSA-N 2 0 356.511 -0.008 20 0 FBADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1O ZINC001281698267 847131176 /nfs/dbraw/zinc/13/11/76/847131176.db2.gz GCCINXZXHDZCJW-HZPDHXFCSA-N 2 0 354.495 -0.252 20 0 FBADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@H]1O ZINC001281699275 847132112 /nfs/dbraw/zinc/13/21/12/847132112.db2.gz VJCWSZKNISDUAE-HZPDHXFCSA-N 2 0 354.495 -0.110 20 0 FBADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1O ZINC001281699770 847133522 /nfs/dbraw/zinc/13/35/22/847133522.db2.gz CMLRFUXMSBTQBX-HUUCEWRRSA-N 2 0 354.495 -0.110 20 0 FBADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001281703535 847136154 /nfs/dbraw/zinc/13/61/54/847136154.db2.gz XKVOWCFPFGZIDS-QLFBSQMISA-N 2 0 354.495 -0.111 20 0 FBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001281707827 847139562 /nfs/dbraw/zinc/13/95/62/847139562.db2.gz LWWJUSYJUFWEQN-CAOSSQGBSA-N 2 0 354.495 -0.255 20 0 FBADRP C[NH+](C)CCCC(=O)N[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1O ZINC001281710240 847141638 /nfs/dbraw/zinc/14/16/38/847141638.db2.gz JANRCDMQFUJDFM-HZPDHXFCSA-N 2 0 354.495 -0.108 20 0 FBADRP CC(C)[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1)[NH+](C)C ZINC001281710791 847141686 /nfs/dbraw/zinc/14/16/86/847141686.db2.gz QGAFVBBNFBXWHD-KFWWJZLASA-N 2 0 354.495 -0.398 20 0 FBADRP CC(C)[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1)[NH+](C)C ZINC001281710792 847141819 /nfs/dbraw/zinc/14/18/19/847141819.db2.gz QGAFVBBNFBXWHD-RBSFLKMASA-N 2 0 354.495 -0.398 20 0 FBADRP C[NH+](C)CC1(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@H]2O)CC1 ZINC001281710896 847141607 /nfs/dbraw/zinc/14/16/07/847141607.db2.gz VWNHDQNYWSECAC-QLFBSQMISA-N 2 0 352.479 -0.500 20 0 FBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001281710951 847143036 /nfs/dbraw/zinc/14/30/36/847143036.db2.gz XMGDLIMYALXQHD-BZUAXINKSA-N 2 0 354.495 -0.110 20 0 FBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001281710952 847142703 /nfs/dbraw/zinc/14/27/03/847142703.db2.gz XMGDLIMYALXQHD-OWCLPIDISA-N 2 0 354.495 -0.110 20 0 FBADRP C[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1O ZINC001281711022 847143143 /nfs/dbraw/zinc/14/31/43/847143143.db2.gz ADNDEFUXVNUJPA-HZPDHXFCSA-N 2 0 354.495 -0.108 20 0 FBADRP CC(C)[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1)[NH+]1CCCC1 ZINC001281711238 847142608 /nfs/dbraw/zinc/14/26/08/847142608.db2.gz IWJKSHIZNAJOGQ-BFYDXBDKSA-N 2 0 354.495 -0.254 20 0 FBADRP CC(C)[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1)[NH+]1CCCC1 ZINC001281711239 847143123 /nfs/dbraw/zinc/14/31/23/847143123.db2.gz IWJKSHIZNAJOGQ-INMHGKMJSA-N 2 0 354.495 -0.254 20 0 FBADRP C[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1O ZINC001281712103 847143992 /nfs/dbraw/zinc/14/39/92/847143992.db2.gz VZUVVCWHNSYTPV-HUUCEWRRSA-N 2 0 354.495 -0.110 20 0 FBADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001281712354 847143864 /nfs/dbraw/zinc/14/38/64/847143864.db2.gz XVQOAEUBFGDYRF-BZUAXINKSA-N 2 0 354.495 -0.111 20 0 FBADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001281712355 847144265 /nfs/dbraw/zinc/14/42/65/847144265.db2.gz XVQOAEUBFGDYRF-OWCLPIDISA-N 2 0 354.495 -0.111 20 0 FBADRP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CC[C@@H]2CCC[NH+]2C)C[C@H]1O ZINC001281714840 847146417 /nfs/dbraw/zinc/14/64/17/847146417.db2.gz CTLLTOUCPOTKNV-ARFHVFGLSA-N 2 0 354.495 -0.110 20 0 FBADRP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CC[C@H]2CCC[NH+]2C)C[C@H]1O ZINC001281714841 847146370 /nfs/dbraw/zinc/14/63/70/847146370.db2.gz CTLLTOUCPOTKNV-BZUAXINKSA-N 2 0 354.495 -0.110 20 0 FBADRP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1O ZINC001281715066 847146401 /nfs/dbraw/zinc/14/64/01/847146401.db2.gz HLEHGCUNVCNLQF-ARFHVFGLSA-N 2 0 352.479 -0.642 20 0 FBADRP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1O ZINC001281715069 847146629 /nfs/dbraw/zinc/14/66/29/847146629.db2.gz HLEHGCUNVCNLQF-BZUAXINKSA-N 2 0 352.479 -0.642 20 0 FBADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001281717279 847147278 /nfs/dbraw/zinc/14/72/78/847147278.db2.gz FPXHSLLIZNFQKU-ARFHVFGLSA-N 2 0 354.495 -0.252 20 0 FBADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001281717280 847147591 /nfs/dbraw/zinc/14/75/91/847147591.db2.gz FPXHSLLIZNFQKU-BZUAXINKSA-N 2 0 354.495 -0.252 20 0 FBADRP CC[C@@H](C(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1O)[NH+](C)C ZINC001281719088 847149694 /nfs/dbraw/zinc/14/96/94/847149694.db2.gz FEYWNJARRMUQOR-ARKGTOAJSA-N 2 0 354.495 -0.255 20 0 FBADRP C[N@H+](CC(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O)CC(C)(C)C ZINC001281720485 847151763 /nfs/dbraw/zinc/15/17/63/847151763.db2.gz QKKHZFNZIMEGHZ-HUUCEWRRSA-N 2 0 354.495 -0.252 20 0 FBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001281720982 847151809 /nfs/dbraw/zinc/15/18/09/847151809.db2.gz YROVNECHNSJFEF-HUUCEWRRSA-N 2 0 356.511 -0.006 20 0 FBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001281784637 847173397 /nfs/dbraw/zinc/17/33/97/847173397.db2.gz UJOMVMJCQNYKSM-HUUCEWRRSA-N 2 0 352.479 -0.377 20 0 FBADRP CO[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001281834998 847198470 /nfs/dbraw/zinc/19/84/70/847198470.db2.gz PQNQXUJUXVUEHN-HUUCEWRRSA-N 2 0 356.467 -0.998 20 0 FBADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1OC ZINC001281848043 847210534 /nfs/dbraw/zinc/21/05/34/847210534.db2.gz NLVIDMJWRPZKHT-HUUCEWRRSA-N 2 0 352.479 -0.234 20 0 FBADRP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1OC ZINC001281856991 847214541 /nfs/dbraw/zinc/21/45/41/847214541.db2.gz IWZFWXFNCGDAEN-HUUCEWRRSA-N 2 0 352.479 -0.234 20 0 FBADRP O=C([C@@H]1CC[C@H](CN2CCOCC2)O1)N1CCCC[C@H]1C[NH2+]CCO ZINC001281872079 847230056 /nfs/dbraw/zinc/23/00/56/847230056.db2.gz ILKSODKZCLZPSK-BBWFWOEESA-N 2 0 355.479 -0.171 20 0 FBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001281886543 847245895 /nfs/dbraw/zinc/24/58/95/847245895.db2.gz GAMLIUPAPZPBPV-CVEARBPZSA-N 2 0 354.495 -0.254 20 0 FBADRP C[NH+](C)CCC(=O)N1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001281890969 847248876 /nfs/dbraw/zinc/24/88/76/847248876.db2.gz VCBZJSMMAWJNJY-CVEARBPZSA-N 2 0 354.495 -0.108 20 0 FBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001281891266 847250507 /nfs/dbraw/zinc/25/05/07/847250507.db2.gz HLFWYHFDAXDPSD-OAGGEKHMSA-N 2 0 352.479 -0.642 20 0 FBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001281891267 847250260 /nfs/dbraw/zinc/25/02/60/847250260.db2.gz HLFWYHFDAXDPSD-XHSDSOJGSA-N 2 0 352.479 -0.642 20 0 FBADRP CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@@H]1O ZINC001281891608 847250307 /nfs/dbraw/zinc/25/03/07/847250307.db2.gz DKUPCELNJWJHSD-OAGGEKHMSA-N 2 0 354.495 -0.110 20 0 FBADRP CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@@H]1O ZINC001281891609 847250096 /nfs/dbraw/zinc/25/00/96/847250096.db2.gz DKUPCELNJWJHSD-PMPSAXMXSA-N 2 0 354.495 -0.110 20 0 FBADRP CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1O ZINC001281891795 847250151 /nfs/dbraw/zinc/25/01/51/847250151.db2.gz DLTHKPTXHIVRTN-CVEARBPZSA-N 2 0 354.495 -0.108 20 0 FBADRP CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1O ZINC001281891858 847251136 /nfs/dbraw/zinc/25/11/36/847251136.db2.gz GGEMCMFYPSWEKC-CABCVRRESA-N 2 0 356.511 -0.006 20 0 FBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001281892781 847252403 /nfs/dbraw/zinc/25/24/03/847252403.db2.gz UNRBHAGYTGPWSL-OAGGEKHMSA-N 2 0 354.495 -0.110 20 0 FBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001281892782 847252705 /nfs/dbraw/zinc/25/27/05/847252705.db2.gz UNRBHAGYTGPWSL-PMPSAXMXSA-N 2 0 354.495 -0.110 20 0 FBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+](C)C(C)C)C[C@@H]1O ZINC001281895935 847254454 /nfs/dbraw/zinc/25/44/54/847254454.db2.gz DXEKRGWGIXJWGR-OAGGEKHMSA-N 2 0 354.495 -0.111 20 0 FBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+](C)C(C)C)C[C@@H]1O ZINC001281895937 847255000 /nfs/dbraw/zinc/25/50/00/847255000.db2.gz DXEKRGWGIXJWGR-PMPSAXMXSA-N 2 0 354.495 -0.111 20 0 FBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001281896322 847255812 /nfs/dbraw/zinc/25/58/12/847255812.db2.gz OZXDEXNZUTXROB-CVEARBPZSA-N 2 0 354.495 -0.108 20 0 FBADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](NC(=O)CC[NH+]3CCCCC3)[C@@H](O)C2)C1 ZINC001281898416 847258503 /nfs/dbraw/zinc/25/85/03/847258503.db2.gz FBYDPYFMIPBCMI-OAGGEKHMSA-N 2 0 352.479 -0.498 20 0 FBADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](NC(=O)CC[NH+]3CCCCC3)[C@@H](O)C2)C1 ZINC001281898417 847258980 /nfs/dbraw/zinc/25/89/80/847258980.db2.gz FBYDPYFMIPBCMI-XHSDSOJGSA-N 2 0 352.479 -0.498 20 0 FBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1O ZINC001281898630 847258629 /nfs/dbraw/zinc/25/86/29/847258629.db2.gz IWLNVAVJWJKZIA-CABCVRRESA-N 2 0 352.479 -0.357 20 0 FBADRP CC(C)[C@@H](C(=O)N1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1)[NH+](C)C ZINC001281898672 847258758 /nfs/dbraw/zinc/25/87/58/847258758.db2.gz IJMCDWSYKGAACK-ILXRZTDVSA-N 2 0 354.495 -0.255 20 0 FBADRP CC(C)[C@H](C(=O)N1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1)[NH+](C)C ZINC001281898673 847259992 /nfs/dbraw/zinc/25/99/92/847259992.db2.gz IJMCDWSYKGAACK-QLFBSQMISA-N 2 0 354.495 -0.255 20 0 FBADRP C[NH+](C)CC1(C(=O)N2C[C@@H](NC(=O)C[N@H+](C)C3CCC3)[C@@H](O)C2)CC1 ZINC001281898944 847259861 /nfs/dbraw/zinc/25/98/61/847259861.db2.gz DIRUJWCUAJSRQJ-CABCVRRESA-N 2 0 352.479 -0.500 20 0 FBADRP CC(C)[C@H](C(=O)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O)[NH+]1CCCC1 ZINC001281899013 847259822 /nfs/dbraw/zinc/25/98/22/847259822.db2.gz OUBAPTARZGFIDU-HLLBOEOZSA-N 2 0 354.495 -0.254 20 0 FBADRP CC(C)[C@@H](C(=O)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O)[NH+]1CCCC1 ZINC001281899016 847260153 /nfs/dbraw/zinc/26/01/53/847260153.db2.gz OUBAPTARZGFIDU-VYDXJSESSA-N 2 0 354.495 -0.254 20 0 FBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001281899043 847260497 /nfs/dbraw/zinc/26/04/97/847260497.db2.gz PBQYSPVAYKQTMF-CVEARBPZSA-N 2 0 354.495 -0.108 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2C[C@@H](NC(=O)C[NH+](C)C3CCC3)[C@@H](O)C2)CC[N@@H+]1C ZINC001281899224 847259740 /nfs/dbraw/zinc/25/97/40/847259740.db2.gz GUWSLQFRPNHJGW-MIGQKNRLSA-N 2 0 352.479 -0.501 20 0 FBADRP C[NH+](C)C1(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@@H]2O)CCC1 ZINC001281899347 847261841 /nfs/dbraw/zinc/26/18/41/847261841.db2.gz QHBLCOAIESRVCW-ILXRZTDVSA-N 2 0 352.479 -0.357 20 0 FBADRP C[NH+](C)C1(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@@H]2O)CCC1 ZINC001281899350 847261277 /nfs/dbraw/zinc/26/12/77/847261277.db2.gz QHBLCOAIESRVCW-KFWWJZLASA-N 2 0 352.479 -0.357 20 0 FBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+](C)C(C)C)C[C@@H]1O ZINC001281899445 847261513 /nfs/dbraw/zinc/26/15/13/847261513.db2.gz TYGXYLKWGYYZRD-OAGGEKHMSA-N 2 0 354.495 -0.111 20 0 FBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+](C)C(C)C)C[C@@H]1O ZINC001281899448 847260876 /nfs/dbraw/zinc/26/08/76/847260876.db2.gz TYGXYLKWGYYZRD-PMPSAXMXSA-N 2 0 354.495 -0.111 20 0 FBADRP C[N@H+](CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[NH+]2C)C[C@@H]1O)C1CCC1 ZINC001281899522 847261963 /nfs/dbraw/zinc/26/19/63/847261963.db2.gz LMUDHEDVQDWXDD-PMPSAXMXSA-N 2 0 352.479 -0.357 20 0 FBADRP C[NH+](C)C1(C(=O)N2C[C@@H](NC(=O)C[N@@H+](C)C3CCC3)[C@@H](O)C2)CCC1 ZINC001281900192 847263075 /nfs/dbraw/zinc/26/30/75/847263075.db2.gz YLQBGZDAMOCNGA-CABCVRRESA-N 2 0 352.479 -0.357 20 0 FBADRP CC(C)[C@@H](C(=O)N[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1O)[NH+](C)C ZINC001281902229 847263567 /nfs/dbraw/zinc/26/35/67/847263567.db2.gz FOVLIHJIUPQVRY-VYDXJSESSA-N 2 0 354.495 -0.255 20 0 FBADRP CC(C)[C@@H](C(=O)N[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1O)[NH+](C)C ZINC001281902797 847264464 /nfs/dbraw/zinc/26/44/64/847264464.db2.gz QUAFRRIBUZHLSX-ILXRZTDVSA-N 2 0 354.495 -0.255 20 0 FBADRP CC[C@H](C(=O)N[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1O)[NH+](C)C ZINC001281902824 847265224 /nfs/dbraw/zinc/26/52/24/847265224.db2.gz BSWPNXMPKWMVIF-KFWWJZLASA-N 2 0 352.479 -0.357 20 0 FBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001281903330 847264842 /nfs/dbraw/zinc/26/48/42/847264842.db2.gz LUZZBVFZJKUNOL-OAGGEKHMSA-N 2 0 354.495 -0.111 20 0 FBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001281903332 847264979 /nfs/dbraw/zinc/26/49/79/847264979.db2.gz LUZZBVFZJKUNOL-XHSDSOJGSA-N 2 0 354.495 -0.111 20 0 FBADRP CC[C@H](C(=O)N[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1O)[NH+](C)C ZINC001281903905 847265903 /nfs/dbraw/zinc/26/59/03/847265903.db2.gz BJKZEBRFPODMPK-KFWWJZLASA-N 2 0 356.511 -0.008 20 0 FBADRP CC[C@H](C(=O)N[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1O)[NH+](C)C ZINC001281905135 847268421 /nfs/dbraw/zinc/26/84/21/847268421.db2.gz YMZSSYFBOJHLHT-OAGGEKHMSA-N 2 0 354.495 -0.254 20 0 FBADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1O ZINC001281915491 847280589 /nfs/dbraw/zinc/28/05/89/847280589.db2.gz CMLRFUXMSBTQBX-CABCVRRESA-N 2 0 354.495 -0.110 20 0 FBADRP CC(C)[C@H](C(=O)N[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1O)[NH+](C)C ZINC001281916265 847281077 /nfs/dbraw/zinc/28/10/77/847281077.db2.gz QUAFRRIBUZHLSX-QLFBSQMISA-N 2 0 354.495 -0.255 20 0 FBADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1O ZINC001281916427 847281105 /nfs/dbraw/zinc/28/11/05/847281105.db2.gz UAIVHWIICZHAGM-CABCVRRESA-N 2 0 354.495 -0.110 20 0 FBADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@@H]1O ZINC001281916466 847281032 /nfs/dbraw/zinc/28/10/32/847281032.db2.gz VJCWSZKNISDUAE-CVEARBPZSA-N 2 0 354.495 -0.110 20 0 FBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1O ZINC001281918537 847283063 /nfs/dbraw/zinc/28/30/63/847283063.db2.gz YWHRMYSZIAZBJH-OAGGEKHMSA-N 2 0 352.479 -0.356 20 0 FBADRP C[NH+](C)CCCC(=O)N[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1O ZINC001281925603 847287897 /nfs/dbraw/zinc/28/78/97/847287897.db2.gz HRRDGYQRFYYGBT-CABCVRRESA-N 2 0 354.495 -0.252 20 0 FBADRP C[NH+](C)CC1(C(=O)N[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@@H]2O)CC1 ZINC001281926078 847289394 /nfs/dbraw/zinc/28/93/94/847289394.db2.gz IVMAMJLDUBKQIA-CABCVRRESA-N 2 0 352.479 -0.500 20 0 FBADRP CC(C)[C@@H](C(=O)N1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1)[NH+](C)C ZINC001281926713 847289975 /nfs/dbraw/zinc/28/99/75/847289975.db2.gz QGAFVBBNFBXWHD-ILXRZTDVSA-N 2 0 354.495 -0.398 20 0 FBADRP CC(C)[C@H](C(=O)N1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1)[NH+](C)C ZINC001281926717 847290121 /nfs/dbraw/zinc/29/01/21/847290121.db2.gz QGAFVBBNFBXWHD-QLFBSQMISA-N 2 0 354.495 -0.398 20 0 FBADRP C[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@@H]1O ZINC001281928216 847290053 /nfs/dbraw/zinc/29/00/53/847290053.db2.gz ADNDEFUXVNUJPA-CVEARBPZSA-N 2 0 354.495 -0.108 20 0 FBADRP CC(C)[C@H](C(=O)N1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1)[NH+]1CCCC1 ZINC001281928856 847291156 /nfs/dbraw/zinc/29/11/56/847291156.db2.gz IWJKSHIZNAJOGQ-HLLBOEOZSA-N 2 0 354.495 -0.254 20 0 FBADRP CC(C)[C@@H](C(=O)N1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1)[NH+]1CCCC1 ZINC001281928857 847291289 /nfs/dbraw/zinc/29/12/89/847291289.db2.gz IWJKSHIZNAJOGQ-VYDXJSESSA-N 2 0 354.495 -0.254 20 0 FBADRP CC(C)[C@H](C(=O)N[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@@H]1O)[NH+](C)C ZINC001281929513 847291165 /nfs/dbraw/zinc/29/11/65/847291165.db2.gz NBIFDUDCRYIVIR-QKPAOTATSA-N 2 0 356.511 -0.153 20 0 FBADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001281930394 847292375 /nfs/dbraw/zinc/29/23/75/847292375.db2.gz VVEJDZJZQSOUNH-OAGGEKHMSA-N 2 0 354.495 -0.254 20 0 FBADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001281930396 847292498 /nfs/dbraw/zinc/29/24/98/847292498.db2.gz VVEJDZJZQSOUNH-PMPSAXMXSA-N 2 0 354.495 -0.254 20 0 FBADRP C[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1O ZINC001281930410 847292424 /nfs/dbraw/zinc/29/24/24/847292424.db2.gz VZUVVCWHNSYTPV-CABCVRRESA-N 2 0 354.495 -0.110 20 0 FBADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001281930500 847292542 /nfs/dbraw/zinc/29/25/42/847292542.db2.gz XVQOAEUBFGDYRF-OAGGEKHMSA-N 2 0 354.495 -0.111 20 0 FBADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001281930501 847292260 /nfs/dbraw/zinc/29/22/60/847292260.db2.gz XVQOAEUBFGDYRF-PMPSAXMXSA-N 2 0 354.495 -0.111 20 0 FBADRP CC[C@H](C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O)[NH+](CC)CC ZINC001281933555 847295135 /nfs/dbraw/zinc/29/51/35/847295135.db2.gz KPJGWIIBGDPILB-OAGGEKHMSA-N 2 0 354.495 -0.110 20 0 FBADRP CC[C@@H](C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O)[NH+](CC)CC ZINC001281933556 847295322 /nfs/dbraw/zinc/29/53/22/847295322.db2.gz KPJGWIIBGDPILB-PMPSAXMXSA-N 2 0 354.495 -0.110 20 0 FBADRP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1O ZINC001281935643 847297786 /nfs/dbraw/zinc/29/77/86/847297786.db2.gz ASSZZURKVAJROP-CABCVRRESA-N 2 0 354.495 -0.110 20 0 FBADRP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2C(C)C)C[C@@H]1O ZINC001281935661 847298036 /nfs/dbraw/zinc/29/80/36/847298036.db2.gz BPLCDMLHYDBSHK-OAGGEKHMSA-N 2 0 354.495 -0.111 20 0 FBADRP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C[C@@H]1O ZINC001281935663 847297883 /nfs/dbraw/zinc/29/78/83/847297883.db2.gz BPLCDMLHYDBSHK-PMPSAXMXSA-N 2 0 354.495 -0.111 20 0 FBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001281935973 847297976 /nfs/dbraw/zinc/29/79/76/847297976.db2.gz DXDGKWXMMHJTOY-OAGGEKHMSA-N 2 0 354.495 -0.110 20 0 FBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001281935975 847298155 /nfs/dbraw/zinc/29/81/55/847298155.db2.gz DXDGKWXMMHJTOY-PMPSAXMXSA-N 2 0 354.495 -0.110 20 0 FBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@@H]2O)C1 ZINC001281936203 847298941 /nfs/dbraw/zinc/29/89/41/847298941.db2.gz ATDIXFOCVNEMKB-OAGGEKHMSA-N 2 0 354.495 -0.252 20 0 FBADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@@H]2O)C1 ZINC001281936206 847299082 /nfs/dbraw/zinc/29/90/82/847299082.db2.gz ATDIXFOCVNEMKB-XHSDSOJGSA-N 2 0 354.495 -0.252 20 0 FBADRP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCC[NH+]2CC)C[C@@H]1O ZINC001281936960 847299993 /nfs/dbraw/zinc/29/99/93/847299993.db2.gz QMYFYUHUDAGIRT-OAGGEKHMSA-N 2 0 354.495 -0.110 20 0 FBADRP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[NH+]2CC)C[C@@H]1O ZINC001281936961 847300593 /nfs/dbraw/zinc/30/05/93/847300593.db2.gz QMYFYUHUDAGIRT-PMPSAXMXSA-N 2 0 354.495 -0.110 20 0 FBADRP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1O ZINC001281937398 847300322 /nfs/dbraw/zinc/30/03/22/847300322.db2.gz VJJDAABHTZAYPM-CVEARBPZSA-N 2 0 354.495 -0.108 20 0 FBADRP C[N@H+](CC(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O)CC(C)(C)C ZINC001281937420 847300190 /nfs/dbraw/zinc/30/01/90/847300190.db2.gz QKKHZFNZIMEGHZ-CABCVRRESA-N 2 0 354.495 -0.252 20 0 FBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]2O)C1 ZINC001281938143 847301933 /nfs/dbraw/zinc/30/19/33/847301933.db2.gz VYRFKVPBYCVAJU-KFWWJZLASA-N 2 0 352.479 -0.642 20 0 FBADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]2O)C1 ZINC001281938148 847301302 /nfs/dbraw/zinc/30/13/02/847301302.db2.gz VYRFKVPBYCVAJU-ZNMIVQPWSA-N 2 0 352.479 -0.642 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)NC2CC(C[NH2+]CC(=O)NC(=O)NC)C2)CC[N@@H+]1C ZINC001282011206 847321782 /nfs/dbraw/zinc/32/17/82/847321782.db2.gz ZSOYWKQBZGPDLG-CLRIEMFWSA-N 2 0 353.467 -0.343 20 0 FBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001282482117 847392241 /nfs/dbraw/zinc/39/22/41/847392241.db2.gz RDXWUILVMRELAC-BZUAXINKSA-N 2 0 354.495 -0.273 20 0 FBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001282482119 847391966 /nfs/dbraw/zinc/39/19/66/847391966.db2.gz RDXWUILVMRELAC-OWCLPIDISA-N 2 0 354.495 -0.273 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)NCCNC(=O)[C@@H](C)C[NH+]2CCOCC2)CC[N@@H+]1C ZINC001283028343 847451943 /nfs/dbraw/zinc/45/19/43/847451943.db2.gz ZQYKQPPOHQIIPP-HRCADAONSA-N 2 0 354.495 -0.083 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)NCCNC(=O)[C@H](C)C[NH+]2CCOCC2)CC[N@@H+]1C ZINC001283028344 847451582 /nfs/dbraw/zinc/45/15/82/847451582.db2.gz ZQYKQPPOHQIIPP-OWCLPIDISA-N 2 0 354.495 -0.083 20 0 FBADRP C[C@@H](CCC[NH2+]CCN1C(=O)CNC1=O)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001283176572 847455092 /nfs/dbraw/zinc/45/50/92/847455092.db2.gz IFJONQPTDZDDMG-BFHYXJOUSA-N 2 0 353.467 -0.247 20 0 FBADRP C[C@H](CCC[NH2+]CCN1C(=O)CNC1=O)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001283176573 847454263 /nfs/dbraw/zinc/45/42/63/847454263.db2.gz IFJONQPTDZDDMG-MGPQQGTHSA-N 2 0 353.467 -0.247 20 0 FBADRP C[C@@H]1[C@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)NCC(F)(F)F)CC[N@@H+]1C ZINC001283759685 847463293 /nfs/dbraw/zinc/46/32/93/847463293.db2.gz JLORPTCSTSVTAY-GMTAPVOTSA-N 2 0 354.373 -0.928 20 0 FBADRP C[C@@H]1[C@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC(F)(F)F)CC[N@@H+]1C ZINC001283759686 847463428 /nfs/dbraw/zinc/46/34/28/847463428.db2.gz JLORPTCSTSVTAY-OUAUKWLOSA-N 2 0 354.373 -0.928 20 0 FBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001284531537 847483795 /nfs/dbraw/zinc/48/37/95/847483795.db2.gz GRZUJDQWMGKBDL-ARFHVFGLSA-N 2 0 354.495 -0.131 20 0 FBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N(C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001284531538 847483661 /nfs/dbraw/zinc/48/36/61/847483661.db2.gz GRZUJDQWMGKBDL-BZUAXINKSA-N 2 0 354.495 -0.131 20 0 FBADRP CC[C@@H](C(=O)N1CC(CCO)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)[NH+](C)C ZINC001285940296 847529148 /nfs/dbraw/zinc/52/91/48/847529148.db2.gz PNULXUQOXUYRHU-KFWWJZLASA-N 2 0 354.495 -0.254 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CC(CCO)(NC(=O)[C@H]3CCC[NH+]3C)C2)CC[N@@H+]1C ZINC001285954644 847529741 /nfs/dbraw/zinc/52/97/41/847529741.db2.gz DDDSIGPHXRBAJZ-RBSFLKMASA-N 2 0 352.479 -0.500 20 0 FBADRP C[C@@H]1[C@H](C(=O)NCCCOCCNC(=O)[C@@H]2CC[NH+](C)C2)CC[N@@H+]1C ZINC001287478857 847545779 /nfs/dbraw/zinc/54/57/79/847545779.db2.gz DEMZVWWYKMYCGB-BZUAXINKSA-N 2 0 354.495 -0.083 20 0 FBADRP C[C@@H]1[C@H](C(=O)NCCCOCCNC(=O)[C@H]2CC[NH+](C)C2)CC[N@@H+]1C ZINC001287478858 847545948 /nfs/dbraw/zinc/54/59/48/847545948.db2.gz DEMZVWWYKMYCGB-OWCLPIDISA-N 2 0 354.495 -0.083 20 0 FBADRP C[C@@H]1[C@H](C(=O)NC[C@H](CO)NC(=O)CCC[NH+]2CCCC2)CC[N@@H+]1C ZINC001287785499 847550897 /nfs/dbraw/zinc/55/08/97/847550897.db2.gz AZHHDSHFEVOTOS-BZUAXINKSA-N 2 0 354.495 -0.204 20 0 FBADRP C[C@@H]1[C@H](C(=O)NC[C@@H](CO)NC(=O)CCC[NH+]2CCCC2)CC[N@@H+]1C ZINC001287785500 847551037 /nfs/dbraw/zinc/55/10/37/847551037.db2.gz AZHHDSHFEVOTOS-OWCLPIDISA-N 2 0 354.495 -0.204 20 0 FBADRP C[C@@H]1[C@H](C(=O)NC[C@H](CO)NC(=O)CC2CC[NH+](C)CC2)CC[N@@H+]1C ZINC001287785551 847551262 /nfs/dbraw/zinc/55/12/62/847551262.db2.gz CAQSFPHXBGAXNX-FVQBIDKESA-N 2 0 354.495 -0.348 20 0 FBADRP C[C@@H]1[C@H](C(=O)NC[C@@H](CO)NC(=O)CC2CC[NH+](C)CC2)CC[N@@H+]1C ZINC001287785553 847551277 /nfs/dbraw/zinc/55/12/77/847551277.db2.gz CAQSFPHXBGAXNX-VNQPRFMTSA-N 2 0 354.495 -0.348 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H](CO)NC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1C ZINC001287790605 847551419 /nfs/dbraw/zinc/55/14/19/847551419.db2.gz DFTCGGKSSAZBJG-HRCADAONSA-N 2 0 354.495 -0.348 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)NC[C@H](CO)NC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1C ZINC001287790606 847551482 /nfs/dbraw/zinc/55/14/82/847551482.db2.gz DFTCGGKSSAZBJG-OWCLPIDISA-N 2 0 354.495 -0.348 20 0 FBADRP C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)CNC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1C ZINC001288092954 847562370 /nfs/dbraw/zinc/56/23/70/847562370.db2.gz CZJQGJADBKGRKL-QLFBSQMISA-N 2 0 354.495 -0.254 20 0 FBADRP C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)CNC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1C ZINC001288092955 847563155 /nfs/dbraw/zinc/56/31/55/847563155.db2.gz CZJQGJADBKGRKL-RBSFLKMASA-N 2 0 354.495 -0.254 20 0 FBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001289070067 847621892 /nfs/dbraw/zinc/62/18/92/847621892.db2.gz GAMLIUPAPZPBPV-HZPDHXFCSA-N 2 0 354.495 -0.254 20 0 FBADRP CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1O ZINC001289077610 847626503 /nfs/dbraw/zinc/62/65/03/847626503.db2.gz ZRHFFLBEKLDOSW-HZPDHXFCSA-N 2 0 354.495 -0.252 20 0 FBADRP CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1O ZINC001289077627 847626869 /nfs/dbraw/zinc/62/68/69/847626869.db2.gz ZZXIFKVDSXJCTG-HUUCEWRRSA-N 2 0 354.495 -0.252 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)CC[NH+](C)CC)C[C@H]2O)CC[N@@H+]1C ZINC001289081970 847627973 /nfs/dbraw/zinc/62/79/73/847627973.db2.gz GXABCWOEBJIDLK-ZJIFWQFVSA-N 2 0 354.495 -0.254 20 0 FBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001289096075 847633594 /nfs/dbraw/zinc/63/35/94/847633594.db2.gz PYEMMKWEBQWYHQ-BZUAXINKSA-N 2 0 354.495 -0.110 20 0 FBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001289096078 847633263 /nfs/dbraw/zinc/63/32/63/847633263.db2.gz PYEMMKWEBQWYHQ-OWCLPIDISA-N 2 0 354.495 -0.110 20 0 FBADRP CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1)[NH+](C)C ZINC001289096446 847634778 /nfs/dbraw/zinc/63/47/78/847634778.db2.gz YGWGYYDIXCORHK-OWCLPIDISA-N 2 0 354.495 -0.110 20 0 FBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1O ZINC001289097049 847634536 /nfs/dbraw/zinc/63/45/36/847634536.db2.gz AUHGHTPKUMESHP-HZPDHXFCSA-N 2 0 354.495 -0.254 20 0 FBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1O ZINC001289097099 847633972 /nfs/dbraw/zinc/63/39/72/847633972.db2.gz BSKSQATZYXQNLU-HZPDHXFCSA-N 2 0 354.495 -0.110 20 0 FBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001289097331 847634417 /nfs/dbraw/zinc/63/44/17/847634417.db2.gz GBCLJRDKVLBMEP-HZPDHXFCSA-N 2 0 354.495 -0.110 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C2)CC[N@@H+]1C ZINC001289097351 847634723 /nfs/dbraw/zinc/63/47/23/847634723.db2.gz GYSSDUOGUNSCRG-ZJIFWQFVSA-N 2 0 354.495 -0.255 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C3([NH+](C)C)CCC3)C2)CC[N@@H+]1C ZINC001289099026 847636724 /nfs/dbraw/zinc/63/67/24/847636724.db2.gz KIGJZPQXLDTRSC-KBUPBQIOSA-N 2 0 352.479 -0.501 20 0 FBADRP C[NH+](C)C1(C(=O)N[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@H]2O)CCC1 ZINC001289099584 847636706 /nfs/dbraw/zinc/63/67/06/847636706.db2.gz RFSVVTUZYAVRGO-RBSFLKMASA-N 2 0 352.479 -0.500 20 0 FBADRP C[NH+](C)C1(C(=O)N[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@H]2O)CCC1 ZINC001289099585 847636610 /nfs/dbraw/zinc/63/66/10/847636610.db2.gz RFSVVTUZYAVRGO-RRFJBIMHSA-N 2 0 352.479 -0.500 20 0 FBADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001289119805 847643652 /nfs/dbraw/zinc/64/36/52/847643652.db2.gz JGVHTDJXXPBDSZ-BZUAXINKSA-N 2 0 354.495 -0.110 20 0 FBADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001289119806 847643342 /nfs/dbraw/zinc/64/33/42/847643342.db2.gz JGVHTDJXXPBDSZ-OWCLPIDISA-N 2 0 354.495 -0.110 20 0 FBADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001289134425 847650552 /nfs/dbraw/zinc/65/05/52/847650552.db2.gz CZQCBYAFXGVWGY-HUUCEWRRSA-N 2 0 352.479 -0.498 20 0 FBADRP CC[C@@H](C(=O)N[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1O)[NH+](C)C ZINC001289135830 847650963 /nfs/dbraw/zinc/65/09/63/847650963.db2.gz VMRNCKDXRMCZDW-OWCLPIDISA-N 2 0 354.495 -0.110 20 0 FBADRP C[NH+](C)CCCCC(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1O ZINC001289143571 847653997 /nfs/dbraw/zinc/65/39/97/847653997.db2.gz KJFGALQUALOAMC-HUUCEWRRSA-N 2 0 352.479 -0.498 20 0 FBADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C[NH+]2CCC[C@@H]2C)C[C@H]1O ZINC001289145673 847655270 /nfs/dbraw/zinc/65/52/70/847655270.db2.gz GPOJLZBTPQKNLC-ARFHVFGLSA-N 2 0 354.495 -0.110 20 0 FBADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C[NH+]2CCC[C@H]2C)C[C@H]1O ZINC001289145675 847655106 /nfs/dbraw/zinc/65/51/06/847655106.db2.gz GPOJLZBTPQKNLC-BZUAXINKSA-N 2 0 354.495 -0.110 20 0 FBADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2C(C)C)C[C@H]1O ZINC001289146237 847655390 /nfs/dbraw/zinc/65/53/90/847655390.db2.gz NRLQFMGFHNAORP-BZUAXINKSA-N 2 0 354.495 -0.111 20 0 FBADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C[C@H]1O ZINC001289146240 847655422 /nfs/dbraw/zinc/65/54/22/847655422.db2.gz NRLQFMGFHNAORP-OWCLPIDISA-N 2 0 354.495 -0.111 20 0 FBADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1O ZINC001289146638 847656458 /nfs/dbraw/zinc/65/64/58/847656458.db2.gz UYWMEENONIEVQZ-HUUCEWRRSA-N 2 0 352.479 -0.498 20 0 FBADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001289146847 847656183 /nfs/dbraw/zinc/65/61/83/847656183.db2.gz ZCJZVAHZZUQCOP-KFWWJZLASA-N 2 0 356.511 -0.009 20 0 FBADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001289146848 847656387 /nfs/dbraw/zinc/65/63/87/847656387.db2.gz ZCJZVAHZZUQCOP-RBSFLKMASA-N 2 0 356.511 -0.009 20 0 FBADRP C[NH+](C)CCCC(=O)N[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1O ZINC001289169072 847662507 /nfs/dbraw/zinc/66/25/07/847662507.db2.gz FCIKNATWELWZFR-HUUCEWRRSA-N 2 0 354.495 -0.110 20 0 FBADRP C[NH+](C)CCCC(=O)N[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1O ZINC001289169129 847663926 /nfs/dbraw/zinc/66/39/26/847663926.db2.gz HRRDGYQRFYYGBT-HUUCEWRRSA-N 2 0 354.495 -0.252 20 0 FBADRP C[NH+](C)CC1(C(=O)N[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@H]2O)CC1 ZINC001289169359 847663668 /nfs/dbraw/zinc/66/36/68/847663668.db2.gz IVMAMJLDUBKQIA-HUUCEWRRSA-N 2 0 352.479 -0.500 20 0 FBADRP CC1CC[NH+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C2)CC1 ZINC001289169361 847663517 /nfs/dbraw/zinc/66/35/17/847663517.db2.gz IXGISKNVQXTOHD-HZPDHXFCSA-N 2 0 354.495 -0.252 20 0 FBADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001289169805 847663716 /nfs/dbraw/zinc/66/37/16/847663716.db2.gz ODTMAGJLNJQLKH-RBSFLKMASA-N 2 0 352.479 -0.642 20 0 FBADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001289169807 847663786 /nfs/dbraw/zinc/66/37/86/847663786.db2.gz ODTMAGJLNJQLKH-RRFJBIMHSA-N 2 0 352.479 -0.642 20 0 FBADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001289170612 847664878 /nfs/dbraw/zinc/66/48/78/847664878.db2.gz WOFDYIQSPJNERE-HUUCEWRRSA-N 2 0 354.495 -0.252 20 0 FBADRP C[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1O ZINC001289176601 847667568 /nfs/dbraw/zinc/66/75/68/847667568.db2.gz PKUKXTXNFJWAET-ZIAGYGMSSA-N 2 0 352.435 -0.406 20 0 FBADRP CC(C)[C@H](C(=O)N[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1O)[NH+](C)C ZINC001289181805 847667680 /nfs/dbraw/zinc/66/76/80/847667680.db2.gz FOVLIHJIUPQVRY-BFYDXBDKSA-N 2 0 354.495 -0.255 20 0 FBADRP CC(C)[C@H](C(=O)N[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1O)[NH+](C)C ZINC001289182221 847667822 /nfs/dbraw/zinc/66/78/22/847667822.db2.gz QUAFRRIBUZHLSX-RBSFLKMASA-N 2 0 354.495 -0.255 20 0 FBADRP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2C(C)C)C[C@H]1O ZINC001289189223 847671066 /nfs/dbraw/zinc/67/10/66/847671066.db2.gz BPLCDMLHYDBSHK-BZUAXINKSA-N 2 0 354.495 -0.111 20 0 FBADRP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C[C@H]1O ZINC001289189224 847671148 /nfs/dbraw/zinc/67/11/48/847671148.db2.gz BPLCDMLHYDBSHK-OWCLPIDISA-N 2 0 354.495 -0.111 20 0 FBADRP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1O ZINC001289190263 847672258 /nfs/dbraw/zinc/67/22/58/847672258.db2.gz YXVOYQNGGCDPCT-HUUCEWRRSA-N 2 0 352.479 -0.356 20 0 FBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001289363784 847697138 /nfs/dbraw/zinc/69/71/38/847697138.db2.gz ZRYBKVBWZLRXQI-BZUAXINKSA-N 2 0 354.495 -0.131 20 0 FBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001289363785 847696706 /nfs/dbraw/zinc/69/67/06/847696706.db2.gz ZRYBKVBWZLRXQI-OWCLPIDISA-N 2 0 354.495 -0.131 20 0 FBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001289392787 847700372 /nfs/dbraw/zinc/70/03/72/847700372.db2.gz CXQLBWXUWRWDPW-HUUCEWRRSA-N 2 0 354.495 -0.131 20 0 FBADRP CO[C@@H]1CN(C(=O)[C@@H]2CC[NH+](C)C2)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001289501042 847725238 /nfs/dbraw/zinc/72/52/38/847725238.db2.gz LMXXGROTVKINEV-FVQBIDKESA-N 2 0 352.479 -0.236 20 0 FBADRP CO[C@@H]1CN(C(=O)[C@H]2CC[NH+](C)C2)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001289501043 847725158 /nfs/dbraw/zinc/72/51/58/847725158.db2.gz LMXXGROTVKINEV-NUEKZKHPSA-N 2 0 352.479 -0.236 20 0 FBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](OC)C1 ZINC001289515395 847730121 /nfs/dbraw/zinc/73/01/21/847730121.db2.gz DHHPYGWJAOGHDM-HUUCEWRRSA-N 2 0 352.479 -0.234 20 0 FBADRP CO[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001289525197 847734424 /nfs/dbraw/zinc/73/44/24/847734424.db2.gz ZPIQCLSKFWGHMH-RBSFLKMASA-N 2 0 356.467 -0.999 20 0 FBADRP CO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001289535681 847736582 /nfs/dbraw/zinc/73/65/82/847736582.db2.gz ITTUBBDHDUMJHR-RBSFLKMASA-N 2 0 352.479 -0.378 20 0 FBADRP CO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001289535686 847736507 /nfs/dbraw/zinc/73/65/07/847736507.db2.gz ITTUBBDHDUMJHR-RRFJBIMHSA-N 2 0 352.479 -0.378 20 0 FBADRP CO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001289535739 847736422 /nfs/dbraw/zinc/73/64/22/847736422.db2.gz KPVNACNSZJGOTR-RBSFLKMASA-N 2 0 352.479 -0.236 20 0 FBADRP CO[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1NC(=O)CC[NH+](C)C ZINC001289537816 847736409 /nfs/dbraw/zinc/73/64/09/847736409.db2.gz ABZGPSPKUYDGQE-HUUCEWRRSA-N 2 0 352.479 -0.092 20 0 FBADRP CO[C@@H]1CN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C[C@H]1NC(=O)CC[NH+](C)C ZINC001289538885 847737626 /nfs/dbraw/zinc/73/76/26/847737626.db2.gz SVNNCJBWVNNPPD-RKVPGOIHSA-N 2 0 352.479 -0.234 20 0 FBADRP CO[C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001289542350 847737269 /nfs/dbraw/zinc/73/72/69/847737269.db2.gz VLVDWEILVYRHNG-IIAWOOMASA-N 2 0 351.451 -0.120 20 0 FBADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001289621846 847765579 /nfs/dbraw/zinc/76/55/79/847765579.db2.gz SDDHFWZIMKYLNN-OAGGEKHMSA-N 2 0 354.495 -0.111 20 0 FBADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001289621848 847765551 /nfs/dbraw/zinc/76/55/51/847765551.db2.gz SDDHFWZIMKYLNN-PMPSAXMXSA-N 2 0 354.495 -0.111 20 0 FBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001289624009 847767711 /nfs/dbraw/zinc/76/77/11/847767711.db2.gz YBTVNNROOCYHNF-OAGGEKHMSA-N 2 0 354.495 -0.111 20 0 FBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001289624010 847767629 /nfs/dbraw/zinc/76/76/29/847767629.db2.gz YBTVNNROOCYHNF-PMPSAXMXSA-N 2 0 354.495 -0.111 20 0 FBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@@H]2O)C1 ZINC001289627768 847769149 /nfs/dbraw/zinc/76/91/49/847769149.db2.gz WSGQTUKRGSBOHB-OAGGEKHMSA-N 2 0 352.479 -0.498 20 0 FBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@@H]2O)C1 ZINC001289627769 847769221 /nfs/dbraw/zinc/76/92/21/847769221.db2.gz WSGQTUKRGSBOHB-XHSDSOJGSA-N 2 0 352.479 -0.498 20 0 FBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001289629332 847770099 /nfs/dbraw/zinc/77/00/99/847770099.db2.gz NTCVMQDISDVFOU-OAGGEKHMSA-N 2 0 352.479 -0.644 20 0 FBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001289629333 847769917 /nfs/dbraw/zinc/76/99/17/847769917.db2.gz NTCVMQDISDVFOU-XHSDSOJGSA-N 2 0 352.479 -0.644 20 0 FBADRP CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1O ZINC001289629554 847769942 /nfs/dbraw/zinc/76/99/42/847769942.db2.gz BAMKSXVBDHCGLT-CABCVRRESA-N 2 0 354.495 -0.110 20 0 FBADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@@H]2O)CC[N@@H+]1C ZINC001289635554 847772136 /nfs/dbraw/zinc/77/21/36/847772136.db2.gz MHTRWWFHOCLMCD-FPCVCCKLSA-N 2 0 354.495 -0.254 20 0 FBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)[C@@H](O)C1 ZINC001289647202 847778735 /nfs/dbraw/zinc/77/87/35/847778735.db2.gz FBMHUNBPZVDHLF-OAGGEKHMSA-N 2 0 354.495 -0.110 20 0 FBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)[C@@H](O)C1 ZINC001289647203 847778576 /nfs/dbraw/zinc/77/85/76/847778576.db2.gz FBMHUNBPZVDHLF-PMPSAXMXSA-N 2 0 354.495 -0.110 20 0 FBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001289647430 847778523 /nfs/dbraw/zinc/77/85/23/847778523.db2.gz ILZYPFVJOBWTCG-OAGGEKHMSA-N 2 0 352.479 -0.356 20 0 FBADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001289647431 847778605 /nfs/dbraw/zinc/77/86/05/847778605.db2.gz ILZYPFVJOBWTCG-PMPSAXMXSA-N 2 0 352.479 -0.356 20 0 FBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001289647829 847778479 /nfs/dbraw/zinc/77/84/79/847778479.db2.gz RBMOSYZOMFEQDV-CVEARBPZSA-N 2 0 354.495 -0.110 20 0 FBADRP CC[C@H](C(=O)N1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1)[NH+](C)C ZINC001289648025 847778471 /nfs/dbraw/zinc/77/84/71/847778471.db2.gz UUQSEOHCCLZVCY-OAGGEKHMSA-N 2 0 354.495 -0.110 20 0 FBADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001289648624 847779766 /nfs/dbraw/zinc/77/97/66/847779766.db2.gz GWDIMCGBHHUTEL-CABCVRRESA-N 2 0 354.495 -0.110 20 0 FBADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](NC(=O)C3([NH+](C)C)CCC3)[C@@H](O)C2)C1 ZINC001289649171 847780739 /nfs/dbraw/zinc/78/07/39/847780739.db2.gz PTNLBKRIDSPIHR-KFWWJZLASA-N 2 0 352.479 -0.500 20 0 FBADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](NC(=O)C3([NH+](C)C)CCC3)[C@@H](O)C2)C1 ZINC001289649173 847780453 /nfs/dbraw/zinc/78/04/53/847780453.db2.gz PTNLBKRIDSPIHR-ZNMIVQPWSA-N 2 0 352.479 -0.500 20 0 FBADRP CC(C)[C@H](C(=O)N1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1)[NH+](C)C ZINC001289652917 847781569 /nfs/dbraw/zinc/78/15/69/847781569.db2.gz DEZCSPAMHYACEK-HLLBOEOZSA-N 2 0 354.495 -0.255 20 0 FBADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001289666545 847787593 /nfs/dbraw/zinc/78/75/93/847787593.db2.gz WAFSSIKIVBSCHJ-CABCVRRESA-N 2 0 354.495 -0.254 20 0 FBADRP C[NH+](C)CC1(C(=O)N2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](O)C2)CC1 ZINC001289685594 847796409 /nfs/dbraw/zinc/79/64/09/847796409.db2.gz CQQKFXNJQDWACQ-KGLIPLIRSA-N 2 0 350.463 -0.888 20 0 FBADRP CC[C@@H](C(=O)N[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1O)[NH+](C)C ZINC001289688269 847796947 /nfs/dbraw/zinc/79/69/47/847796947.db2.gz KXTSITGIWJNHRN-ILXRZTDVSA-N 2 0 354.495 -0.111 20 0 FBADRP CC[C@H](C(=O)N[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1O)[NH+](C)C ZINC001289688271 847797733 /nfs/dbraw/zinc/79/77/33/847797733.db2.gz KXTSITGIWJNHRN-KFWWJZLASA-N 2 0 354.495 -0.111 20 0 FBADRP CC[C@@H](C(=O)N[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1O)[NH+](C)C ZINC001289688935 847798411 /nfs/dbraw/zinc/79/84/11/847798411.db2.gz YMZSSYFBOJHLHT-PMPSAXMXSA-N 2 0 354.495 -0.254 20 0 FBADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C[C@@H]1O ZINC001289696219 847801044 /nfs/dbraw/zinc/80/10/44/847801044.db2.gz FOLCNMRLYKNJTJ-FPCVCCKLSA-N 2 0 354.495 -0.254 20 0 FBADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1O ZINC001289696740 847802420 /nfs/dbraw/zinc/80/24/20/847802420.db2.gz REIBUXHEVXZEJH-CVEARBPZSA-N 2 0 354.495 -0.108 20 0 FBADRP C[NH+](C)CC1(C(=O)N2C[C@@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H](O)C2)CC1 ZINC001289710223 847807370 /nfs/dbraw/zinc/80/73/70/847807370.db2.gz PVYWNGREZFWEBY-ILXRZTDVSA-N 2 0 352.479 -0.500 20 0 FBADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001289718963 847810794 /nfs/dbraw/zinc/81/07/94/847810794.db2.gz WOFDYIQSPJNERE-CABCVRRESA-N 2 0 354.495 -0.252 20 0 FBADRP C[C@H]1C[C@@H](C(=O)N2C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C2)CC[N@@H+]1C ZINC001289720245 847810533 /nfs/dbraw/zinc/81/05/33/847810533.db2.gz KOHFWLOIPWPXSP-JONQDZQNSA-N 2 0 354.495 -0.254 20 0 FBADRP C[NH+](C)CCCC(=O)N[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1O ZINC001289720260 847810452 /nfs/dbraw/zinc/81/04/52/847810452.db2.gz LFXDUQNRMSXCFI-CABCVRRESA-N 2 0 356.511 -0.006 20 0 FBADRP C[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@@H]1O ZINC001289727083 847813391 /nfs/dbraw/zinc/81/33/91/847813391.db2.gz PKUKXTXNFJWAET-KGLIPLIRSA-N 2 0 352.435 -0.406 20 0 FBADRP CC[C@@H](C(=O)N1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](O)C1)[NH+](C)C ZINC001289739024 847818329 /nfs/dbraw/zinc/81/83/29/847818329.db2.gz CZZAIWCEQDQHLW-ILXRZTDVSA-N 2 0 356.511 -0.008 20 0 FBADRP CC[C@H](C(=O)N1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](O)C1)[NH+](C)C ZINC001289739026 847818279 /nfs/dbraw/zinc/81/82/79/847818279.db2.gz CZZAIWCEQDQHLW-KFWWJZLASA-N 2 0 356.511 -0.008 20 0 FBADRP C[NH+](C)CCCC(=O)N1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001289739246 847817987 /nfs/dbraw/zinc/81/79/87/847817987.db2.gz FKTFELWIUBTOCU-CABCVRRESA-N 2 0 356.511 -0.006 20 0 FBADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001289739251 847818355 /nfs/dbraw/zinc/81/83/55/847818355.db2.gz FPXHSLLIZNFQKU-OAGGEKHMSA-N 2 0 354.495 -0.252 20 0 FBADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001289739252 847818425 /nfs/dbraw/zinc/81/84/25/847818425.db2.gz FPXHSLLIZNFQKU-XHSDSOJGSA-N 2 0 354.495 -0.252 20 0 FBADRP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001290260098 847858236 /nfs/dbraw/zinc/85/82/36/847858236.db2.gz WJTYMFBEJOLBAC-ARFHVFGLSA-N 2 0 354.495 -0.131 20 0 FBADRP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001290260099 847858309 /nfs/dbraw/zinc/85/83/09/847858309.db2.gz WJTYMFBEJOLBAC-BZUAXINKSA-N 2 0 354.495 -0.131 20 0 FBADRP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1C(=O)COCC[NH+](C)C ZINC001290682330 847895243 /nfs/dbraw/zinc/89/52/43/847895243.db2.gz CNCKJVNPQOSALJ-CABCVRRESA-N 2 0 352.479 -0.234 20 0 FBADRP C[NH+](C)CCOCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001292180514 847965194 /nfs/dbraw/zinc/96/51/94/847965194.db2.gz RTWWMXWWOJAGAO-LVQVYYBASA-N 2 0 352.479 -0.093 20 0 FBADRP C[C@@H]1[C@H](C(=O)NCCN2CCN(C(=O)CC[NH+](C)C)CC2)CC[N@@H+]1C ZINC001294683858 848006863 /nfs/dbraw/zinc/00/68/63/848006863.db2.gz OSTYICUSISYIKE-HZPDHXFCSA-N 2 0 353.511 -0.461 20 0 FBADRP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)COCC[NH+](C)C)C[C@H]32)CC[N@@H+]1C ZINC001295349095 848017923 /nfs/dbraw/zinc/01/79/23/848017923.db2.gz VSFGHSGBKJZLGO-NPCUJANDSA-N 2 0 352.479 -0.522 20 0 FBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001296080688 848029536 /nfs/dbraw/zinc/02/95/36/848029536.db2.gz XJAONNGQRUPCBQ-ARFHVFGLSA-N 2 0 354.495 -0.131 20 0 FBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001296080689 848030057 /nfs/dbraw/zinc/03/00/57/848030057.db2.gz XJAONNGQRUPCBQ-BZUAXINKSA-N 2 0 354.495 -0.131 20 0 FBADRP C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNC(=O)C[NH+]2CCC(C)(C)C2)CC[N@@H+]1C ZINC001298186102 848072488 /nfs/dbraw/zinc/07/24/88/848072488.db2.gz AVUSPQDQVPLNFF-QLFBSQMISA-N 2 0 354.495 -0.348 20 0 FBADRP C[C@@H]1[C@H](C(=O)NC[C@H](O)CNC(=O)C[NH+]2CCC(C)(C)C2)CC[N@@H+]1C ZINC001298186103 848072007 /nfs/dbraw/zinc/07/20/07/848072007.db2.gz AVUSPQDQVPLNFF-RBSFLKMASA-N 2 0 354.495 -0.348 20 0 FBADRP COc1c(=O)[nH]c(=O)[nH]c1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001302402929 848109016 /nfs/dbraw/zinc/10/90/16/848109016.db2.gz DBVSFOUXBQKVHI-GHMZBOCLSA-N 2 0 353.423 -0.292 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C2CCN(S(C)(=O)=O)CC2)C[C@H]1C[NH+](C)C ZINC001302403337 848109241 /nfs/dbraw/zinc/10/92/41/848109241.db2.gz IMOWTGSDCNRUEO-HZPDHXFCSA-N 2 0 374.551 -0.144 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(S(N)(=O)=O)o2)C[C@H]1C[NH+](C)C ZINC001302403827 848109044 /nfs/dbraw/zinc/10/90/44/848109044.db2.gz QZECNVSMEPDZFN-VXGBXAGGSA-N 2 0 358.464 -0.262 20 0 FBADRP CSCC[C@H](NC(N)=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001302407026 848109148 /nfs/dbraw/zinc/10/91/48/848109148.db2.gz IKTUQKOEQBNRNN-MCIONIFRSA-N 2 0 359.540 -0.026 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cn(C(F)(F)CO)nn2)C[C@H]1C[NH+](C)C ZINC001302407399 848109219 /nfs/dbraw/zinc/10/92/19/848109219.db2.gz LVTBHHSOZOWEDE-VXGBXAGGSA-N 2 0 360.409 -0.369 20 0 FBADRP CC1=NS(=O)(=O)N(C)C=C1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001302408498 848109234 /nfs/dbraw/zinc/10/92/34/848109234.db2.gz YVCDVTIDWPGYGS-ZIAGYGMSSA-N 2 0 371.507 -0.281 20 0 FBADRP C[C@@H]1C[N@H+](CC2(O)CCS(=O)(=O)CC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC001307585892 848175102 /nfs/dbraw/zinc/17/51/02/848175102.db2.gz AUJRBIXVSOSWPM-CVEARBPZSA-N 2 0 359.536 -0.116 20 0 FBADRP C[C@H]1C[N@H+](CC2(O)CCS(=O)(=O)CC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC001307585893 848175054 /nfs/dbraw/zinc/17/50/54/848175054.db2.gz AUJRBIXVSOSWPM-HOTGVXAUSA-N 2 0 359.536 -0.116 20 0 FBADRP C[C@@H]1C[N@H+](CC2(O)CCS(=O)(=O)CC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC001307585894 848175137 /nfs/dbraw/zinc/17/51/37/848175137.db2.gz AUJRBIXVSOSWPM-HZPDHXFCSA-N 2 0 359.536 -0.116 20 0 FBADRP C[C@H]1C[N@H+](CC2(O)CCS(=O)(=O)CC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC001307585895 848174675 /nfs/dbraw/zinc/17/46/75/848174675.db2.gz AUJRBIXVSOSWPM-JKSUJKDBSA-N 2 0 359.536 -0.116 20 0 FBADRP C[NH+]1CCC(C[NH2+]C2CCN(S(C)(=O)=O)CC2)(N2CCOCC2)CC1 ZINC001308819843 848184791 /nfs/dbraw/zinc/18/47/91/848184791.db2.gz IUBBNAKDDJZFIV-UHFFFAOYSA-N 2 0 374.551 -0.203 20 0 FBADRP C[NH+](C)C[C@@H]1CN(S(=O)(=O)CCN2CCOC2=O)C[C@H]1C[NH+](C)C ZINC001309758498 848220596 /nfs/dbraw/zinc/22/05/96/848220596.db2.gz HMJJXUFZUINTMM-ZIAGYGMSSA-N 2 0 362.496 -0.560 20 0 FBADRP CC[NH+]1CCN(C2CN(S(=O)(=O)CCCN3CC[NH+](C)CC3)C2)CC1 ZINC001309906672 848235334 /nfs/dbraw/zinc/23/53/34/848235334.db2.gz PNIXQGJPSKCUMT-UHFFFAOYSA-N 2 0 373.567 -0.725 20 0 FBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)N[C@H]3CC[NH+](CCN4CCOCC4)C3)C[C@@H]21 ZINC001311944688 848261185 /nfs/dbraw/zinc/26/11/85/848261185.db2.gz YUKWQPCGPQIYRE-IKGGRYGDSA-N 2 0 351.495 -0.262 20 0 FBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)N[C@@H]3CC[NH+](CCN4CCOCC4)C3)C[C@@H]21 ZINC001311944689 848261591 /nfs/dbraw/zinc/26/15/91/848261591.db2.gz YUKWQPCGPQIYRE-ZACQAIPSSA-N 2 0 351.495 -0.262 20 0 FBADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)NCCCCS(N)(=O)=O)C2)CC1 ZINC001312015442 848262013 /nfs/dbraw/zinc/26/20/13/848262013.db2.gz GUJBZQLFSYCKJF-CYBMUJFWSA-N 2 0 361.512 -0.477 20 0 FBADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)NCCCCS(N)(=O)=O)C2)CC1 ZINC001312015452 848262273 /nfs/dbraw/zinc/26/22/73/848262273.db2.gz GUJBZQLFSYCKJF-ZDUSSCGKSA-N 2 0 361.512 -0.477 20 0 FBADRP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)C1 ZINC001313008378 848283478 /nfs/dbraw/zinc/28/34/78/848283478.db2.gz HYIGOXRTCGWRQC-KBPBESRZSA-N 2 0 355.483 -0.529 20 0 FBADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1[NH2+]C[C@H](O)CN1CCCC1=O ZINC001316596611 846910097 /nfs/dbraw/zinc/91/00/97/846910097.db2.gz OEYHXAYKWLTETH-OWCLPIDISA-N 2 0 354.495 -0.252 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C2)CC[N@@H+]1C ZINC001316629996 847465019 /nfs/dbraw/zinc/46/50/19/847465019.db2.gz SUQFFHYXAXYYSP-HTVCTNPSSA-N 2 0 353.467 -0.216 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)C2)CC[N@@H+]1C ZINC001316629999 847465477 /nfs/dbraw/zinc/46/54/77/847465477.db2.gz SUQFFHYXAXYYSP-XGFWRYKXSA-N 2 0 353.467 -0.216 20 0 FBADRP C[NH+](C)C1(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)CCC1 ZINC001316652475 847986535 /nfs/dbraw/zinc/98/65/35/847986535.db2.gz JRZGNNUCJURANQ-UONOGXRCSA-N 2 0 360.524 -0.106 20 0 FBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001316652844 847987310 /nfs/dbraw/zinc/98/73/10/847987310.db2.gz UVMFECUTARFTTD-BFHYXJOUSA-N 2 0 353.467 -0.199 20 0 FBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001316652845 847987428 /nfs/dbraw/zinc/98/74/28/847987428.db2.gz UVMFECUTARFTTD-MJBXVCDLSA-N 2 0 353.467 -0.199 20 0 FBADRP NC(=O)NC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001316654417 847997646 /nfs/dbraw/zinc/99/76/46/847997646.db2.gz INTCPTSILBFTKX-QWHCGFSZSA-N 2 0 351.451 -0.316 20 0 FBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001316660351 848037860 /nfs/dbraw/zinc/03/78/60/848037860.db2.gz LAPFTPJTVKWNJB-GZBFAFLISA-N 2 0 355.483 -0.097 20 0 FBADRP C[NH+]1CCC(OCC(=O)NC[C@H]2CC[C@@H]([NH2+][C@H]3CCNC3=O)C2)CC1 ZINC001316664073 848075778 /nfs/dbraw/zinc/07/57/78/848075778.db2.gz OCTKGQUWYADAFL-LZWOXQAQSA-N 2 0 352.479 -0.140 20 0 FBADRP C[NH+]1CCC(OCC(=O)NC[C@H]2CC[C@@H]([NH2+][C@@H]3CCNC3=O)C2)CC1 ZINC001316664080 848075755 /nfs/dbraw/zinc/07/57/55/848075755.db2.gz OCTKGQUWYADAFL-SQWLQELKSA-N 2 0 352.479 -0.140 20 0 FBADRP C[C@@H]([NH2+][C@@H]1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1)C(=O)NC(N)=O ZINC001316665247 848081538 /nfs/dbraw/zinc/08/15/38/848081538.db2.gz USDRLHUJOPRQCR-FRRDWIJNSA-N 2 0 351.451 -0.460 20 0 FBADRP C[C@H]([NH2+][C@@H]1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1)C(=O)NC(N)=O ZINC001316665248 848081282 /nfs/dbraw/zinc/08/12/82/848081282.db2.gz USDRLHUJOPRQCR-RWMBFGLXSA-N 2 0 351.451 -0.460 20 0 FBADRP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C[C@H]1C[NH2+]CC(=O)NC ZINC001316688454 848116300 /nfs/dbraw/zinc/11/63/00/848116300.db2.gz PNQJVMQYAKAFEJ-QKPAOTATSA-N 2 0 354.495 -0.084 20 0 FBADRP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CCn1cncn1 ZINC001316690366 848121645 /nfs/dbraw/zinc/12/16/45/848121645.db2.gz GPDNSUHHYDQFTH-BZUAXINKSA-N 2 0 350.467 -0.175 20 0 FBADRP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CC(=O)NC1CC1 ZINC001316691739 848125961 /nfs/dbraw/zinc/12/59/61/848125961.db2.gz YPGDASSDJYNIAP-FVQBIDKESA-N 2 0 352.479 -0.188 20 0 FBADRP CCO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C[NH2+]C[C@@H](O)COC ZINC001316692431 848129400 /nfs/dbraw/zinc/12/94/00/848129400.db2.gz VDKBFRRFTMWBQN-BRWVUGGUSA-N 2 0 357.495 -0.211 20 0 FBADRP CCO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C[NH2+]C[C@H](O)COC ZINC001316692432 848129440 /nfs/dbraw/zinc/12/94/40/848129440.db2.gz VDKBFRRFTMWBQN-IXDOHACOSA-N 2 0 357.495 -0.211 20 0 FBADRP CCO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]CCn1cncn1 ZINC001316693386 848150009 /nfs/dbraw/zinc/15/00/09/848150009.db2.gz CBUBNCZUGZFQRS-HZPDHXFCSA-N 2 0 350.467 -0.173 20 0 FBADRP C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H](C[NH2+]CCNS(C)(=O)=O)C1 ZINC001316707921 848252723 /nfs/dbraw/zinc/25/27/23/848252723.db2.gz FJKRVSHTHHVDJB-CABCVRRESA-N 2 0 360.524 -0.152 20 0 FBADRP CC[C@H](C(=O)N[C@H]1CC[N@H+](CCN2C(=O)CNC2=O)[C@@H]1CC)[NH+](C)C ZINC001316732985 848308868 /nfs/dbraw/zinc/30/88/68/848308868.db2.gz KJEKUEBIKNRJKC-BFHYXJOUSA-N 2 0 353.467 -0.153 20 0 FBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)NC(N)=O)CC[C@@H]2C1 ZINC001316753845 848312910 /nfs/dbraw/zinc/31/29/10/848312910.db2.gz FFTIRFUVZGGGMX-HZSPNIEDSA-N 2 0 351.451 -0.554 20 0 FBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)NC(N)=O)CC[C@@H]2C1 ZINC001316753846 848311907 /nfs/dbraw/zinc/31/19/07/848311907.db2.gz FFTIRFUVZGGGMX-RDBSUJKOSA-N 2 0 351.451 -0.554 20 0 FBADRP C[NH+](C)CCCC(=O)N1C[C@@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)CC[C@@H]2C1 ZINC001316755660 848314693 /nfs/dbraw/zinc/31/46/93/848314693.db2.gz JUXLAZSHGCQFME-ILXRZTDVSA-N 2 0 350.463 -0.086 20 0 FBADRP C[NH+](C)CCCC(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)CC[C@@H]2C1 ZINC001316755661 848314056 /nfs/dbraw/zinc/31/40/56/848314056.db2.gz JUXLAZSHGCQFME-QLFBSQMISA-N 2 0 350.463 -0.086 20 0 FBADRP C[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](CC(=O)NC(N)=O)CC[C@@H]3C2)CC1 ZINC001316757306 848314040 /nfs/dbraw/zinc/31/40/40/848314040.db2.gz SXWFEKLMYSFOQS-KGLIPLIRSA-N 2 0 351.451 -0.697 20 0 FBADRP CCS(=O)(=O)NCC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001316757308 848314156 /nfs/dbraw/zinc/31/41/56/848314156.db2.gz TXFQFRFUOJIITP-CABCVRRESA-N 2 0 360.524 -0.342 20 0 FBADRP CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CC(=O)NC(=O)NC)CC[C@@H]2C1)[NH+](C)C ZINC001316758806 848316360 /nfs/dbraw/zinc/31/63/60/848316360.db2.gz MSTNAXSWJVYDDT-RDBSUJKOSA-N 2 0 353.467 -0.438 20 0 FBADRP C[NH+](C)CCCCC(=O)N1C[C@@H]2C[N@@H+](CC(=O)NC(N)=O)CC[C@@H]2C1 ZINC001316758825 848315312 /nfs/dbraw/zinc/31/53/12/848315312.db2.gz NMPCAZSFAVKRDL-KGLIPLIRSA-N 2 0 353.467 -0.307 20 0 FBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2C[NH+](CCNS(C)(=O)=O)CC[C@@H]2C1 ZINC001316758987 848316566 /nfs/dbraw/zinc/31/65/66/848316566.db2.gz CPDHLLVFLZZMAJ-CABCVRRESA-N 2 0 360.524 -0.344 20 0 FBADRP C[C@@H]1[C@H](C(=O)N(C)CCOCC[NH+](C)[C@@H]2CCN(C)C2=O)CC[N@@H+]1C ZINC001316762914 848315928 /nfs/dbraw/zinc/31/59/28/848315928.db2.gz HQEFJKFUTSVLMP-BZUAXINKSA-N 2 0 354.495 -0.036 20 0 FBADRP C[C@@H]1[C@H](C(=O)N(C)CCOCC[NH+](C)[C@H]2CCN(C)C2=O)CC[N@@H+]1C ZINC001316762915 848315259 /nfs/dbraw/zinc/31/52/59/848315259.db2.gz HQEFJKFUTSVLMP-OAGGEKHMSA-N 2 0 354.495 -0.036 20 0 FBADRP COCCOC[C@H](O)C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001316791314 848324141 /nfs/dbraw/zinc/32/41/41/848324141.db2.gz ITIJWOKWCKQEPP-OIISXLGYSA-N 2 0 357.495 -0.069 20 0 FBADRP COCCOC[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001316791315 848323215 /nfs/dbraw/zinc/32/32/15/848323215.db2.gz ITIJWOKWCKQEPP-PVAVHDDUSA-N 2 0 357.495 -0.069 20 0 FBADRP CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](CCN2C(=O)CNC2=O)[C@@H]1C)[NH+](C)C ZINC001316791450 848323389 /nfs/dbraw/zinc/32/33/89/848323389.db2.gz NLRABMWGXXWYCF-VNHYZAJKSA-N 2 0 353.467 -0.297 20 0 FBADRP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CCCN2C(=O)CNC2=O)[C@@H]1C)[NH+](C)C ZINC001316793175 848324481 /nfs/dbraw/zinc/32/44/81/848324481.db2.gz RCOLCUSXOXOTQC-RDBSUJKOSA-N 2 0 353.467 -0.153 20 0 FBADRP CC[C@H](C(=O)N[C@H]1CC[N@H+](CCCN2C(=O)CNC2=O)[C@@H]1C)[NH+](C)C ZINC001316796773 848325382 /nfs/dbraw/zinc/32/53/82/848325382.db2.gz RCOLCUSXOXOTQC-HZSPNIEDSA-N 2 0 353.467 -0.153 20 0 FBADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCCN2C(=O)CNC2=O)[C@@H]1C ZINC001316799803 848327886 /nfs/dbraw/zinc/32/78/86/848327886.db2.gz JNQWNCALCQIAEK-KGLIPLIRSA-N 2 0 353.467 -0.153 20 0 FBADRP C[C@@H](C(=O)NC(N)=O)[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CC1 ZINC001316916380 848327960 /nfs/dbraw/zinc/32/79/60/848327960.db2.gz KEXWTUCLXYTGGH-MBNYWOFBSA-N 2 0 353.467 -0.119 20 0 FBADRP C[C@H](C(=O)NC(N)=O)[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CC1 ZINC001316916381 848328056 /nfs/dbraw/zinc/32/80/56/848328056.db2.gz KEXWTUCLXYTGGH-YRGRVCCFSA-N 2 0 353.467 -0.119 20 0 FBADRP C[C@@H]1[C@H](C(=O)NC[C@H]([NH2+]CC(=O)N2CCOCC2)C2CC2)CC[N@@H+]1C ZINC001317013940 848329779 /nfs/dbraw/zinc/32/97/79/848329779.db2.gz QONGMVAXAVZTFK-BMFZPTHFSA-N 2 0 352.479 -0.330 20 0 FBADRP C[C@@H]1[C@H](C(=O)NC[C@@H]([NH2+]CC(=O)N2CCOCC2)C2CC2)CC[N@@H+]1C ZINC001317013945 848329009 /nfs/dbraw/zinc/32/90/09/848329009.db2.gz QONGMVAXAVZTFK-FVQBIDKESA-N 2 0 352.479 -0.330 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[NH+](C)CC(=O)NC(N)=O)C2)CC[N@@H+]1C ZINC001317037533 848330608 /nfs/dbraw/zinc/33/06/08/848330608.db2.gz VAPFFPNBKNDQFG-HZSPNIEDSA-N 2 0 353.467 -0.308 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C[NH+](C)CC(=O)NC(N)=O)C2)CC[N@@H+]1C ZINC001317037534 848331007 /nfs/dbraw/zinc/33/10/07/848331007.db2.gz VAPFFPNBKNDQFG-MGPQQGTHSA-N 2 0 353.467 -0.308 20 0 FBADRP CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001317057510 848330310 /nfs/dbraw/zinc/33/03/10/848330310.db2.gz HWWYXOPXYCZGCY-MELADBBJSA-N 2 0 353.467 -0.247 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]C[C@H](O)CN3CCCC3=O)C2)CC[N@@H+]1C ZINC001317057514 848331172 /nfs/dbraw/zinc/33/11/72/848331172.db2.gz IDVOUHSKGMJVQK-FXUDXRNXSA-N 2 0 352.479 -0.500 20 0 FBADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@H](O)CN3CCCC3=O)C2)CC[N@@H+]1C ZINC001317108506 848331071 /nfs/dbraw/zinc/33/10/71/848331071.db2.gz HCBWGTINKLCYRM-RBGFHDKUSA-N 2 0 352.479 -0.453 20 0 FBADRP CNC(=O)NC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001317186376 848332075 /nfs/dbraw/zinc/33/20/75/848332075.db2.gz OBHXAGWPPBQWJL-HZSPNIEDSA-N 2 0 353.467 -0.247 20 0 FBADRP CNC(=O)NC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001317186377 848332235 /nfs/dbraw/zinc/33/22/35/848332235.db2.gz OBHXAGWPPBQWJL-MGPQQGTHSA-N 2 0 353.467 -0.247 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](C(=O)NCC[NH2+]CCO)C2)CC[N@@H+]1C ZINC001317294146 848333205 /nfs/dbraw/zinc/33/32/05/848333205.db2.gz WYOLCZVSSHWJRR-HRCADAONSA-N 2 0 354.495 -0.347 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](C(=O)NCC[NH2+]CCO)C2)CC[N@@H+]1C ZINC001317294148 848333489 /nfs/dbraw/zinc/33/34/89/848333489.db2.gz WYOLCZVSSHWJRR-OWCLPIDISA-N 2 0 354.495 -0.347 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](C[NH2+]CC(=O)NC(=O)NC)C2)CC[N@@H+]1C ZINC001317320639 848333786 /nfs/dbraw/zinc/33/37/86/848333786.db2.gz ATCGSGFDRWVBIQ-HZSPNIEDSA-N 2 0 353.467 -0.390 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C[NH2+]CC(=O)NC(=O)NC)C2)CC[N@@H+]1C ZINC001317320642 848333555 /nfs/dbraw/zinc/33/35/55/848333555.db2.gz ATCGSGFDRWVBIQ-MELADBBJSA-N 2 0 353.467 -0.390 20 0 FBADRP CCS(=O)(=O)NCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001317321816 848333797 /nfs/dbraw/zinc/33/37/97/848333797.db2.gz JGOZAZKLLLNVLK-QLFBSQMISA-N 2 0 360.524 -0.296 20 0 FBADRP CCS(=O)(=O)NCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001317321817 848333923 /nfs/dbraw/zinc/33/39/23/848333923.db2.gz JGOZAZKLLLNVLK-RBSFLKMASA-N 2 0 360.524 -0.296 20 0 FBADRP C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001317392934 848334840 /nfs/dbraw/zinc/33/48/40/848334840.db2.gz KLLWOWZSKDNJPS-OUCADQQQSA-N 2 0 353.467 -0.201 20 0 FBADRP C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001317392935 848334805 /nfs/dbraw/zinc/33/48/05/848334805.db2.gz KLLWOWZSKDNJPS-YRGRVCCFSA-N 2 0 353.467 -0.201 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)C[C@H](O)CN2CCCC2=O)CC[N@@H+]1C ZINC001317445841 848334962 /nfs/dbraw/zinc/33/49/62/848334962.db2.gz LOQONXRBUWKOIB-HRCADAONSA-N 2 0 354.495 -0.252 20 0 FBADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+](CCN(C)S(C)(=O)=O)C2)CC[N@@H+]1C ZINC001317522765 848336377 /nfs/dbraw/zinc/33/63/77/848336377.db2.gz LAUFXBAKTMATEY-QLFBSQMISA-N 2 0 360.524 -0.344 20 0 FBADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+](CCN(C)S(C)(=O)=O)C2)CC[N@@H+]1C ZINC001317522766 848337350 /nfs/dbraw/zinc/33/73/50/848337350.db2.gz LAUFXBAKTMATEY-RBSFLKMASA-N 2 0 360.524 -0.344 20 0 FBADRP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001318523714 848383338 /nfs/dbraw/zinc/38/33/38/848383338.db2.gz DLHSSQSRJBJEFG-MBNYWOFBSA-N 2 0 353.467 -0.201 20 0 FBADRP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001318523715 848383508 /nfs/dbraw/zinc/38/35/08/848383508.db2.gz DLHSSQSRJBJEFG-YRGRVCCFSA-N 2 0 353.467 -0.201 20 0 FBADRP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCCN1C(=O)CNC1=O ZINC001318525651 848383203 /nfs/dbraw/zinc/38/32/03/848383203.db2.gz YMWJPKVAGMVGHL-HZSPNIEDSA-N 2 0 353.467 -0.247 20 0 FBADRP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCCN1C(=O)CNC1=O ZINC001318525654 848382992 /nfs/dbraw/zinc/38/29/92/848382992.db2.gz YMWJPKVAGMVGHL-MGPQQGTHSA-N 2 0 353.467 -0.247 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)C[NH2+]CCN2C(=O)CNC2=O)CC[N@@H+]1C ZINC001319190285 848437252 /nfs/dbraw/zinc/43/72/52/848437252.db2.gz SABVXDQQHWVPCX-HZSPNIEDSA-N 2 0 353.467 -0.390 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)C[NH2+]CCN2C(=O)CNC2=O)CC[N@@H+]1C ZINC001319190286 848436636 /nfs/dbraw/zinc/43/66/36/848436636.db2.gz SABVXDQQHWVPCX-MELADBBJSA-N 2 0 353.467 -0.390 20 0 FBADRP C[C@@H]1[C@H](C(=O)NCC2([NH2+]Cc3nc(=O)n(C)[nH]3)CCCC2)CC[N@@H+]1C ZINC001319353728 848449303 /nfs/dbraw/zinc/44/93/03/848449303.db2.gz SHHFMNXKRLCHKE-CHWSQXEVSA-N 2 0 350.467 -0.033 20 0 FBADRP C[C@@H](C[NH2+]CC(=O)NC(=O)NC1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001319460752 848460665 /nfs/dbraw/zinc/46/06/65/848460665.db2.gz QCXAAKWOULGQJW-OUCADQQQSA-N 2 0 353.467 -0.249 20 0 FBADRP C[C@H](C[NH2+]CC(=O)NC(=O)NC1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001319460753 848460364 /nfs/dbraw/zinc/46/03/64/848460364.db2.gz QCXAAKWOULGQJW-YRGRVCCFSA-N 2 0 353.467 -0.249 20 0 FBADRP C[C@@H]1[C@H](C(=O)N(C)CC[NH+](C)CCCN2C(=O)CNC2=O)CC[N@@H+]1C ZINC001319999398 848505497 /nfs/dbraw/zinc/50/54/97/848505497.db2.gz NDLDTFAWTBDSSQ-ZIAGYGMSSA-N 2 0 353.467 -0.341 20 0 FBADRP C[C@@H]1[C@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)NCC(F)(F)F)CC[N@@H+]1C ZINC001320229837 848523194 /nfs/dbraw/zinc/52/31/94/848523194.db2.gz HQKHMKCCBGOVEX-GMTAPVOTSA-N 2 0 354.373 -0.928 20 0 FBADRP C[C@@H]1[C@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCC(F)(F)F)CC[N@@H+]1C ZINC001320229838 848522903 /nfs/dbraw/zinc/52/29/03/848522903.db2.gz HQKHMKCCBGOVEX-OUAUKWLOSA-N 2 0 354.373 -0.928 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)Nc2nncs2)CC[N@@H+]1C ZINC001320232178 848523100 /nfs/dbraw/zinc/52/31/00/848523100.db2.gz MVNZADSAWKKCBT-GRYCIOLGSA-N 2 0 370.479 -0.726 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)Nc2nncs2)CC[N@@H+]1C ZINC001320232179 848523330 /nfs/dbraw/zinc/52/33/30/848523330.db2.gz MVNZADSAWKKCBT-SDDRHHMPSA-N 2 0 370.479 -0.726 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)N2CCCCC2)CC[N@@H+]1C ZINC001320233450 848524539 /nfs/dbraw/zinc/52/45/39/848524539.db2.gz QJIHDYKRSYCRCC-HRCADAONSA-N 2 0 354.495 -0.204 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)N2CCCCC2)CC[N@@H+]1C ZINC001320233451 848524448 /nfs/dbraw/zinc/52/44/48/848524448.db2.gz QJIHDYKRSYCRCC-OWCLPIDISA-N 2 0 354.495 -0.204 20 0 FBADRP COc1coc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1=O ZINC001320235391 848524280 /nfs/dbraw/zinc/52/42/80/848524280.db2.gz YKOATWDODWCZHY-MBNYWOFBSA-N 2 0 353.419 -0.445 20 0 FBADRP COc1coc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1=O ZINC001320235392 848524067 /nfs/dbraw/zinc/52/40/67/848524067.db2.gz YKOATWDODWCZHY-YRGRVCCFSA-N 2 0 353.419 -0.445 20 0 FBADRP C[C@@H]1[C@H](C(=O)NC/C=C\C[NH2+]CCCN2C(=O)CNC2=O)CC[N@@H+]1C ZINC001321067440 848593279 /nfs/dbraw/zinc/59/32/79/848593279.db2.gz VDVLCCPLONTCMJ-JHZNUDOXSA-N 2 0 351.451 -0.470 20 0 FBADRP C[C@@H]1[C@H](C(=O)NC/C=C/C[NH2+]CCCN2C(=O)CNC2=O)CC[N@@H+]1C ZINC001321067441 848593515 /nfs/dbraw/zinc/59/35/15/848593515.db2.gz VDVLCCPLONTCMJ-LSMGEYOZSA-N 2 0 351.451 -0.470 20 0 FBADRP CC[NH+]1CCC(NC(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)CC1 ZINC001321352333 848622382 /nfs/dbraw/zinc/62/23/82/848622382.db2.gz JYQPRBUIIZFQSZ-UHFFFAOYSA-N 2 0 353.511 -0.269 20 0 FBADRP C[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC001321466780 848635476 /nfs/dbraw/zinc/63/54/76/848635476.db2.gz HJNFZUOGSYGZRG-INIZCTEOSA-N 2 0 352.479 -0.044 20 0 FBADRP C[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC001321466782 848635572 /nfs/dbraw/zinc/63/55/72/848635572.db2.gz HJNFZUOGSYGZRG-MRXNPFEDSA-N 2 0 352.479 -0.044 20 0 FBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NC2CC[NH+](C)CC2)CC1 ZINC001321697572 848668996 /nfs/dbraw/zinc/66/89/96/848668996.db2.gz DOXDVBUKPYUELV-HNNXBMFYSA-N 2 0 353.511 -0.413 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NC2CC[NH+](C)CC2)CC1 ZINC001321697573 848668872 /nfs/dbraw/zinc/66/88/72/848668872.db2.gz DOXDVBUKPYUELV-OAHLLOKOSA-N 2 0 353.511 -0.413 20 0 FBADRP CN1CC[NH+](CCCCNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC001321750708 848675790 /nfs/dbraw/zinc/67/57/90/848675790.db2.gz FMFYVCGROIWITO-HNNXBMFYSA-N 2 0 351.495 -0.517 20 0 FBADRP CN1CC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC001321750712 848675767 /nfs/dbraw/zinc/67/57/67/848675767.db2.gz FMFYVCGROIWITO-OAHLLOKOSA-N 2 0 351.495 -0.517 20 0 FBADRP COCC[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC001321767255 848677359 /nfs/dbraw/zinc/67/73/59/848677359.db2.gz IQEHHTFFNYFCEA-UHFFFAOYSA-N 2 0 352.479 -0.044 20 0 FBADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)CC1 ZINC001321822279 848684137 /nfs/dbraw/zinc/68/41/37/848684137.db2.gz FMUDXPJHCLKZPJ-INIZCTEOSA-N 2 0 352.479 -0.090 20 0 FBADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC001321822280 848683887 /nfs/dbraw/zinc/68/38/87/848683887.db2.gz FMUDXPJHCLKZPJ-MRXNPFEDSA-N 2 0 352.479 -0.090 20 0 FBADRP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)C[NH+]1CCN(C)CC1 ZINC001321883909 848692148 /nfs/dbraw/zinc/69/21/48/848692148.db2.gz FEYIDPPQORKDFI-BZUAXINKSA-N 2 0 353.511 -0.415 20 0 FBADRP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1)C[NH+]1CCN(C)CC1 ZINC001321883910 848691808 /nfs/dbraw/zinc/69/18/08/848691808.db2.gz FEYIDPPQORKDFI-OAGGEKHMSA-N 2 0 353.511 -0.415 20 0 FBADRP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1)C[NH+]1CCN(C)CC1 ZINC001321883911 848692238 /nfs/dbraw/zinc/69/22/38/848692238.db2.gz FEYIDPPQORKDFI-OWCLPIDISA-N 2 0 353.511 -0.415 20 0 FBADRP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1)C[NH+]1CCN(C)CC1 ZINC001321883912 848692008 /nfs/dbraw/zinc/69/20/08/848692008.db2.gz FEYIDPPQORKDFI-PMPSAXMXSA-N 2 0 353.511 -0.415 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1nc(C2CC2)no1 ZINC001322113823 848721627 /nfs/dbraw/zinc/72/16/27/848721627.db2.gz CZUOONDDRVHCBX-UHFFFAOYSA-N 2 0 352.439 -0.485 20 0 FBADRP CN(C)C(=O)CCNC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC001322228085 848732824 /nfs/dbraw/zinc/73/28/24/848732824.db2.gz PTCPIQHIRXVIPL-UHFFFAOYSA-N 2 0 355.483 -0.935 20 0 FBADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)CC1 ZINC001322811758 848805451 /nfs/dbraw/zinc/80/54/51/848805451.db2.gz OWUFGXKVEHOWQH-HNNXBMFYSA-N 2 0 353.511 -0.461 20 0 FBADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)CC1 ZINC001322811760 848805481 /nfs/dbraw/zinc/80/54/81/848805481.db2.gz OWUFGXKVEHOWQH-OAHLLOKOSA-N 2 0 353.511 -0.461 20 0 FBADRP CCC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001322921551 848821550 /nfs/dbraw/zinc/82/15/50/848821550.db2.gz ZMMQPDHHTCSVDX-CVEARBPZSA-N 2 0 352.479 -0.044 20 0 FBADRP CCC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001322921553 848821798 /nfs/dbraw/zinc/82/17/98/848821798.db2.gz ZMMQPDHHTCSVDX-HOTGVXAUSA-N 2 0 352.479 -0.044 20 0 FBADRP CCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001322921555 848821888 /nfs/dbraw/zinc/82/18/88/848821888.db2.gz ZMMQPDHHTCSVDX-HZPDHXFCSA-N 2 0 352.479 -0.044 20 0 FBADRP CCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001322921557 848821654 /nfs/dbraw/zinc/82/16/54/848821654.db2.gz ZMMQPDHHTCSVDX-JKSUJKDBSA-N 2 0 352.479 -0.044 20 0 FBADRP C[C@@H]1C[C@H](NC(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)CC[N@@H+]1C ZINC001323079972 848846599 /nfs/dbraw/zinc/84/65/99/848846599.db2.gz FFMIGYSKGJUIES-GDBMZVCRSA-N 2 0 353.511 -0.273 20 0 FBADRP C[C@H]1C[C@H](NC(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)CC[N@@H+]1C ZINC001323079973 848846414 /nfs/dbraw/zinc/84/64/14/848846414.db2.gz FFMIGYSKGJUIES-GOEBONIOSA-N 2 0 353.511 -0.273 20 0 FBADRP C[C@H]1C[C@@H](NC(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)CC[N@@H+]1C ZINC001323079974 848846480 /nfs/dbraw/zinc/84/64/80/848846480.db2.gz FFMIGYSKGJUIES-HOCLYGCPSA-N 2 0 353.511 -0.273 20 0 FBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)CC[N@@H+]1C ZINC001323079975 848846502 /nfs/dbraw/zinc/84/65/02/848846502.db2.gz FFMIGYSKGJUIES-ZBFHGGJFSA-N 2 0 353.511 -0.273 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC1CCC(C(N)=O)CC1 ZINC001323210595 848862221 /nfs/dbraw/zinc/86/22/21/848862221.db2.gz MAVNVLVPGGZDNX-UHFFFAOYSA-N 2 0 355.483 -0.902 20 0 FBADRP C[C@H]1CC[NH+](CCNC(=O)COCC(=O)NCC[N@H+]2CC[C@H](C)C2)C1 ZINC001323339635 848881871 /nfs/dbraw/zinc/88/18/71/848881871.db2.gz NFGXOQDVYCZQTP-HOTGVXAUSA-N 2 0 354.495 -0.081 20 0 FBADRP C[C@@H]1CC[NH+](CCNC(=O)COCC(=O)NCC[N@H+]2CC[C@@H](C)C2)C1 ZINC001323339636 848881645 /nfs/dbraw/zinc/88/16/45/848881645.db2.gz NFGXOQDVYCZQTP-HZPDHXFCSA-N 2 0 354.495 -0.081 20 0 FBADRP C[C@@H]1CC[NH+](CCNC(=O)COCC(=O)NCC[N@H+]2CC[C@H](C)C2)C1 ZINC001323339637 848882008 /nfs/dbraw/zinc/88/20/08/848882008.db2.gz NFGXOQDVYCZQTP-IYBDPMFKSA-N 2 0 354.495 -0.081 20 0 FBADRP C[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC001323360022 848884117 /nfs/dbraw/zinc/88/41/17/848884117.db2.gz DNUWBRFCLNWJKP-CVEARBPZSA-N 2 0 352.479 -0.309 20 0 FBADRP C[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC001323360023 848884240 /nfs/dbraw/zinc/88/42/40/848884240.db2.gz DNUWBRFCLNWJKP-HOTGVXAUSA-N 2 0 352.479 -0.309 20 0 FBADRP C[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC001323360024 848884226 /nfs/dbraw/zinc/88/42/26/848884226.db2.gz DNUWBRFCLNWJKP-HZPDHXFCSA-N 2 0 352.479 -0.309 20 0 FBADRP C[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC001323360025 848884185 /nfs/dbraw/zinc/88/41/85/848884185.db2.gz DNUWBRFCLNWJKP-JKSUJKDBSA-N 2 0 352.479 -0.309 20 0 FBADRP C[NH+](C)CCN1C[C@@H](C(=O)NCC(C)(C)N2CC[NH+](C)CC2)CC1=O ZINC001323410900 848891797 /nfs/dbraw/zinc/89/17/97/848891797.db2.gz DGNCQYIINVWIDN-HNNXBMFYSA-N 2 0 353.511 -0.461 20 0 FBADRP C[NH+](C)CCN1C[C@H](C(=O)NCC(C)(C)N2CC[NH+](C)CC2)CC1=O ZINC001323410902 848891819 /nfs/dbraw/zinc/89/18/19/848891819.db2.gz DGNCQYIINVWIDN-OAHLLOKOSA-N 2 0 353.511 -0.461 20 0 FBADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC001323420610 848893828 /nfs/dbraw/zinc/89/38/28/848893828.db2.gz NPBWMJFSNHYURS-GDBMZVCRSA-N 2 0 353.511 -0.463 20 0 FBADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC001323420613 848893492 /nfs/dbraw/zinc/89/34/92/848893492.db2.gz NPBWMJFSNHYURS-GOEBONIOSA-N 2 0 353.511 -0.463 20 0 FBADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC001323420616 848893654 /nfs/dbraw/zinc/89/36/54/848893654.db2.gz NPBWMJFSNHYURS-HOCLYGCPSA-N 2 0 353.511 -0.463 20 0 FBADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC001323420618 848893638 /nfs/dbraw/zinc/89/36/38/848893638.db2.gz NPBWMJFSNHYURS-ZBFHGGJFSA-N 2 0 353.511 -0.463 20 0 FBADRP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(=O)N3CCO[C@H](C)C3)CC2)CC[N@@H+]1C ZINC001323440261 848897595 /nfs/dbraw/zinc/89/75/95/848897595.db2.gz ADUBMAAEEVUAMN-RBSFLKMASA-N 2 0 352.479 -0.188 20 0 FBADRP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(=O)N3CCO[C@@H](C)C3)CC2)CC[N@@H+]1C ZINC001323440262 848897736 /nfs/dbraw/zinc/89/77/36/848897736.db2.gz ADUBMAAEEVUAMN-RRFJBIMHSA-N 2 0 352.479 -0.188 20 0 FBADRP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(=O)NC[C@@H]3CCOC3)CC2)CC[N@@H+]1C ZINC001323440531 848897774 /nfs/dbraw/zinc/89/77/74/848897774.db2.gz BADDXIRCEOYSBH-QLFBSQMISA-N 2 0 352.479 -0.282 20 0 FBADRP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(=O)NC[C@H]3CCOC3)CC2)CC[N@@H+]1C ZINC001323440536 848897698 /nfs/dbraw/zinc/89/76/98/848897698.db2.gz BADDXIRCEOYSBH-RBSFLKMASA-N 2 0 352.479 -0.282 20 0 FBADRP CCCNC(=O)NC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001323440939 848897756 /nfs/dbraw/zinc/89/77/56/848897756.db2.gz CUXDQTGQNOASBI-CHWSQXEVSA-N 2 0 353.467 -0.199 20 0 FBADRP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(=O)NC(=O)NC3CC3)CC2)CC[N@@H+]1C ZINC001323442387 848897491 /nfs/dbraw/zinc/89/74/91/848897491.db2.gz NNFIVQUPSBESMC-DGCLKSJQSA-N 2 0 351.451 -0.447 20 0 FBADRP C[C@@H]1[C@H](C(=O)N[C@@H](C[NH2+]CC(=O)NC(N)=O)C2CCCC2)CC[N@@H+]1C ZINC001324466447 849045701 /nfs/dbraw/zinc/04/57/01/849045701.db2.gz FGJOPZREABYMES-BNOWGMLFSA-N 2 0 353.467 -0.214 20 0 FBADRP C[C@@H]1[C@H](C(=O)N[C@H](C[NH2+]CC(=O)NC(N)=O)C2CCCC2)CC[N@@H+]1C ZINC001324466448 849045021 /nfs/dbraw/zinc/04/50/21/849045021.db2.gz FGJOPZREABYMES-MRVWCRGKSA-N 2 0 353.467 -0.214 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001324566747 849057457 /nfs/dbraw/zinc/05/74/57/849057457.db2.gz ZQTIYWCWFIAFKR-CVEARBPZSA-N 3 0 355.527 -0.073 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001324566767 849057343 /nfs/dbraw/zinc/05/73/43/849057343.db2.gz ZQTIYWCWFIAFKR-HOTGVXAUSA-N 3 0 355.527 -0.073 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001324566769 849057410 /nfs/dbraw/zinc/05/74/10/849057410.db2.gz ZQTIYWCWFIAFKR-HZPDHXFCSA-N 3 0 355.527 -0.073 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001324566772 849056884 /nfs/dbraw/zinc/05/68/84/849056884.db2.gz ZQTIYWCWFIAFKR-JKSUJKDBSA-N 3 0 355.527 -0.073 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)C2O ZINC001324879960 849084003 /nfs/dbraw/zinc/08/40/03/849084003.db2.gz DGHRQAPPBYXYRY-XYPWUTKMSA-N 2 0 354.495 -0.442 20 0 FBADRP CC(C)[C@]1(CO)CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC001324880278 849083955 /nfs/dbraw/zinc/08/39/55/849083955.db2.gz GNPAJHPWSURKLG-GOSISDBHSA-N 2 0 356.511 -0.195 20 0 FBADRP CC(C)[C@@]1(CO)CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC001324880279 849084024 /nfs/dbraw/zinc/08/40/24/849084024.db2.gz GNPAJHPWSURKLG-SFHVURJKSA-N 2 0 356.511 -0.195 20 0 FBADRP Cc1c(CN(C)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cnn1C ZINC001324881790 849083939 /nfs/dbraw/zinc/08/39/39/849083939.db2.gz NXPBPNJRYFTSCE-UHFFFAOYSA-N 2 0 352.483 -0.361 20 0 FBADRP C[NH+]1CC=C(CNC(=O)COCC(=O)NCC2=CC[N@H+](C)CC2)CC1 ZINC001324929584 849088499 /nfs/dbraw/zinc/08/84/99/849088499.db2.gz XBZSYWYDCIALNN-UHFFFAOYSA-N 2 0 350.463 -0.241 20 0 FBADRP CC(=O)OC1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC001324937590 849089177 /nfs/dbraw/zinc/08/91/77/849089177.db2.gz LDDQHWZHIQRVCV-UHFFFAOYSA-N 2 0 356.467 -0.508 20 0 FBADRP C[C@H](NC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1)C(=O)N(C)C ZINC001325157822 849114860 /nfs/dbraw/zinc/11/48/60/849114860.db2.gz DCNANZXBZTVEDE-ZDUSSCGKSA-N 2 0 355.483 -0.936 20 0 FBADRP C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC001325369284 849137306 /nfs/dbraw/zinc/13/73/06/849137306.db2.gz LGANOCKRLVVPHI-HNNXBMFYSA-N 2 0 351.495 -0.519 20 0 FBADRP C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC001325369285 849136831 /nfs/dbraw/zinc/13/68/31/849136831.db2.gz LGANOCKRLVVPHI-OAHLLOKOSA-N 2 0 351.495 -0.519 20 0 FBADRP C[NH+]1CCC(N2CCC([NH2+]C[C@H](O)CN3CC[NH+](C)CC3)CC2)CC1 ZINC001325840314 849186271 /nfs/dbraw/zinc/18/62/71/849186271.db2.gz MHRJMSMWSDDLSM-IBGZPJMESA-N 3 0 353.555 -0.257 20 0 FBADRP C[NH+]1CCC(N2CCC([NH2+]C[C@@H](O)CN3CC[NH+](C)CC3)CC2)CC1 ZINC001325840447 849186256 /nfs/dbraw/zinc/18/62/56/849186256.db2.gz MHRJMSMWSDDLSM-LJQANCHMSA-N 3 0 353.555 -0.257 20 0 FBADRP Cc1cc(S(N)(=O)=O)ccc1C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001325843370 849186016 /nfs/dbraw/zinc/18/60/16/849186016.db2.gz AWKNBFYAXVICMP-HNNXBMFYSA-N 2 0 356.492 -0.660 20 0 FBADRP Cc1cc(S(N)(=O)=O)ccc1C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001325843371 849186248 /nfs/dbraw/zinc/18/62/48/849186248.db2.gz AWKNBFYAXVICMP-OAHLLOKOSA-N 2 0 356.492 -0.660 20 0 FBADRP C[NH+]1CCN(c2ncccc2C[NH2+]CC2(O)CCS(=O)(=O)CC2)CC1 ZINC001325870492 849189489 /nfs/dbraw/zinc/18/94/89/849189489.db2.gz GHVDSDTZLBLXMP-UHFFFAOYSA-N 2 0 368.503 -0.137 20 0 FBADRP C[C@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)c1cccc(S(N)(=O)=O)c1 ZINC001325872243 849189510 /nfs/dbraw/zinc/18/95/10/849189510.db2.gz UUMUHFWRAVUUKU-DZGCQCFKSA-N 2 0 356.492 -0.407 20 0 FBADRP C[C@@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)c1cccc(S(N)(=O)=O)c1 ZINC001325872244 849189131 /nfs/dbraw/zinc/18/91/31/849189131.db2.gz UUMUHFWRAVUUKU-HIFRSBDPSA-N 2 0 356.492 -0.407 20 0 FBADRP C[C@@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)c1cccc(S(N)(=O)=O)c1 ZINC001325872245 849189059 /nfs/dbraw/zinc/18/90/59/849189059.db2.gz UUMUHFWRAVUUKU-UKRRQHHQSA-N 2 0 356.492 -0.407 20 0 FBADRP C[C@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)c1cccc(S(N)(=O)=O)c1 ZINC001325872246 849188975 /nfs/dbraw/zinc/18/89/75/849188975.db2.gz UUMUHFWRAVUUKU-ZFWWWQNUSA-N 2 0 356.492 -0.407 20 0 FBADRP CNS(=O)(=O)Cc1ccc(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)cc1 ZINC001325872919 849189076 /nfs/dbraw/zinc/18/90/76/849189076.db2.gz WQSHMWWWWUONQL-KRWDZBQOSA-N 2 0 370.519 -0.566 20 0 FBADRP CNS(=O)(=O)Cc1ccc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)cc1 ZINC001325872922 849189289 /nfs/dbraw/zinc/18/92/89/849189289.db2.gz WQSHMWWWWUONQL-QGZVFWFLSA-N 2 0 370.519 -0.566 20 0 FBADRP CCn1nc(C)c(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)n1 ZINC001325940823 849197609 /nfs/dbraw/zinc/19/76/09/849197609.db2.gz SSFBQKLSRYNPMQ-UHFFFAOYSA-N 2 0 353.471 -0.826 20 0 FBADRP C[NH+]1CCC(CCNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001326011734 849207152 /nfs/dbraw/zinc/20/71/52/849207152.db2.gz VRUSKOJGRXZLEA-CVEARBPZSA-N 2 0 352.479 -0.186 20 0 FBADRP C[NH+]1CCC(CCNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001326011737 849206903 /nfs/dbraw/zinc/20/69/03/849206903.db2.gz VRUSKOJGRXZLEA-HOTGVXAUSA-N 2 0 352.479 -0.186 20 0 FBADRP C[NH+]1CCC(CCNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001326011740 849207112 /nfs/dbraw/zinc/20/71/12/849207112.db2.gz VRUSKOJGRXZLEA-HZPDHXFCSA-N 2 0 352.479 -0.186 20 0 FBADRP C[NH+]1CCC(CCNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001326011743 849207203 /nfs/dbraw/zinc/20/72/03/849207203.db2.gz VRUSKOJGRXZLEA-JKSUJKDBSA-N 2 0 352.479 -0.186 20 0 FBADRP COc1ccc(C[NH2+]CCN(CCO)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)nn1 ZINC001326020781 849209125 /nfs/dbraw/zinc/20/91/25/849209125.db2.gz CNVAVBGQTCGZML-UKRRQHHQSA-N 2 0 351.451 -0.264 20 0 FBADRP C[C@@H]1[C@H](C(=O)N(CCO)CC[NH2+]C[C@H]2CCNC(=O)CC2)CC[N@@H+]1C ZINC001326021223 849208965 /nfs/dbraw/zinc/20/89/65/849208965.db2.gz FNNPNUCGCVMOKP-BZUAXINKSA-N 2 0 354.495 -0.347 20 0 FBADRP C[C@@H]1[C@H](C(=O)N(CCO)CC[NH2+]C[C@@H]2CCNC(=O)CC2)CC[N@@H+]1C ZINC001326021225 849208821 /nfs/dbraw/zinc/20/88/21/849208821.db2.gz FNNPNUCGCVMOKP-OWCLPIDISA-N 2 0 354.495 -0.347 20 0 FBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2cn(CCC[NH3+])nn2)CC1 ZINC001326050786 849212399 /nfs/dbraw/zinc/21/23/99/849212399.db2.gz GZIAHHFAFPPDAZ-UHFFFAOYSA-N 2 0 351.455 -0.701 20 0 FBADRP [NH3+]CCCCn1cc(C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])nn1 ZINC001326079665 849215059 /nfs/dbraw/zinc/21/50/59/849215059.db2.gz SMIVGOUKIDTTQZ-CYBMUJFWSA-N 2 0 351.455 -0.523 20 0 FBADRP [NH3+]CCCCn1cc(C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])nn1 ZINC001326079669 849215150 /nfs/dbraw/zinc/21/51/50/849215150.db2.gz SMIVGOUKIDTTQZ-ZDUSSCGKSA-N 2 0 351.455 -0.523 20 0 FBADRP Cc1cc(N2CC[C@H]([NH2+]C[C@@H](O)CN3CC[NH+](C)CC3)C2=O)n(C)n1 ZINC001326157525 849225873 /nfs/dbraw/zinc/22/58/73/849225873.db2.gz ZOYCFKDZLMRXNP-CABCVRRESA-N 2 0 350.467 -0.968 20 0 FBADRP Cc1cc(N2CC[C@H]([NH2+]C[C@H](O)CN3CC[NH+](C)CC3)C2=O)n(C)n1 ZINC001326157526 849225765 /nfs/dbraw/zinc/22/57/65/849225765.db2.gz ZOYCFKDZLMRXNP-GJZGRUSLSA-N 2 0 350.467 -0.968 20 0 FBADRP Cc1cc(N2CC[C@@H]([NH2+]C[C@@H](O)CN3CC[NH+](C)CC3)C2=O)n(C)n1 ZINC001326157527 849225607 /nfs/dbraw/zinc/22/56/07/849225607.db2.gz ZOYCFKDZLMRXNP-HUUCEWRRSA-N 2 0 350.467 -0.968 20 0 FBADRP Cc1cc(N2CC[C@@H]([NH2+]C[C@H](O)CN3CC[NH+](C)CC3)C2=O)n(C)n1 ZINC001326157528 849225741 /nfs/dbraw/zinc/22/57/41/849225741.db2.gz ZOYCFKDZLMRXNP-LSDHHAIUSA-N 2 0 350.467 -0.968 20 0 FBADRP [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)CCNC(=O)[C@H]3CCC[NH2+]3)CC2)C1 ZINC001326325658 849247406 /nfs/dbraw/zinc/24/74/06/849247406.db2.gz UCZSAVQEOOFDEE-BZUAXINKSA-N 2 0 352.479 -0.010 20 0 FBADRP [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)CCNC(=O)[C@H]3CCC[NH2+]3)CC2)C1 ZINC001326325659 849247252 /nfs/dbraw/zinc/24/72/52/849247252.db2.gz UCZSAVQEOOFDEE-OAGGEKHMSA-N 2 0 352.479 -0.010 20 0 FBADRP [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)CCNC(=O)[C@@H]3CCC[NH2+]3)CC2)C1 ZINC001326325660 849246945 /nfs/dbraw/zinc/24/69/45/849246945.db2.gz UCZSAVQEOOFDEE-OWCLPIDISA-N 2 0 352.479 -0.010 20 0 FBADRP [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)CCNC(=O)[C@@H]3CCC[NH2+]3)CC2)C1 ZINC001326325661 849247466 /nfs/dbraw/zinc/24/74/66/849247466.db2.gz UCZSAVQEOOFDEE-PMPSAXMXSA-N 2 0 352.479 -0.010 20 0 FBADRP CC(C)[NH+]1CCC(NC(=O)CN2C(=O)NC3(CC[NH2+]CC3)C2=O)CC1 ZINC001326328420 849247896 /nfs/dbraw/zinc/24/78/96/849247896.db2.gz AWNXHFFUXGFUHW-UHFFFAOYSA-N 2 0 351.451 -0.351 20 0 FBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC001326340165 849248689 /nfs/dbraw/zinc/24/86/89/849248689.db2.gz XOFDQTZTMACITN-KRWDZBQOSA-N 2 0 353.511 -0.428 20 0 FBADRP C[NH+](C)CCN1CCC(CNC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)CC1 ZINC001326369333 849251191 /nfs/dbraw/zinc/25/11/91/849251191.db2.gz GOCZIBFMTNSJRM-UHFFFAOYSA-N 2 0 374.551 -0.457 20 0 FBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC001326409038 849256636 /nfs/dbraw/zinc/25/66/36/849256636.db2.gz QDCZVWOJQADXSO-KRWDZBQOSA-N 2 0 353.511 -0.239 20 0 FBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N(C)CC[NH+](C)C)CC1 ZINC001326522586 849276882 /nfs/dbraw/zinc/27/68/82/849276882.db2.gz UMYQYVGBAYNBBH-UHFFFAOYSA-N 2 0 355.483 -0.935 20 0 FBADRP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)C(=O)NC[C@@H]1C[N@@H+]3CCC[C@H]3CO1)C2 ZINC001326549302 849282200 /nfs/dbraw/zinc/28/22/00/849282200.db2.gz JDMUKCIZOFBCSW-AFIMGQEJSA-N 2 0 350.463 -0.447 20 0 FBADRP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)C(=O)NC[C@@H]1C[N@@H+]3CCC[C@@H]3CO1)C2 ZINC001326549303 849281867 /nfs/dbraw/zinc/28/18/67/849281867.db2.gz JDMUKCIZOFBCSW-BORJPKMPSA-N 2 0 350.463 -0.447 20 0 FBADRP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)C(=O)NC[C@H]1C[N@@H+]3CCC[C@@H]3CO1)C2 ZINC001326549304 849281993 /nfs/dbraw/zinc/28/19/93/849281993.db2.gz JDMUKCIZOFBCSW-KRXQYRFLSA-N 2 0 350.463 -0.447 20 0 FBADRP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)C(=O)NC[C@H]1C[N@@H+]3CCC[C@H]3CO1)C2 ZINC001326549305 849281905 /nfs/dbraw/zinc/28/19/05/849281905.db2.gz JDMUKCIZOFBCSW-XSWJXKHESA-N 2 0 350.463 -0.447 20 0 FBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC001326560547 849283417 /nfs/dbraw/zinc/28/34/17/849283417.db2.gz LJWAXJYYTAWSHQ-UHFFFAOYSA-N 2 0 353.511 -0.330 20 0 FBADRP C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC001326584611 849287878 /nfs/dbraw/zinc/28/78/78/849287878.db2.gz XDWLRNXDHLEGEB-MAZHCROVSA-N 2 0 352.479 -0.073 20 0 FBADRP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC001326584614 849288109 /nfs/dbraw/zinc/28/81/09/849288109.db2.gz XDWLRNXDHLEGEB-WQVCFCJDSA-N 2 0 352.479 -0.073 20 0 FBADRP COCC[NH+]1CCC(NC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CC1 ZINC001326584827 849288249 /nfs/dbraw/zinc/28/82/49/849288249.db2.gz ZOFUFSUECFWNDP-JKSUJKDBSA-N 2 0 350.467 -0.033 20 0 FBADRP [NH3+]CC1(CCNC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC001326589514 849289225 /nfs/dbraw/zinc/28/92/25/849289225.db2.gz BZJBWJBHWGUQPU-AWEZNQCLSA-N 2 0 352.479 -0.151 20 0 FBADRP [NH3+]CC1(CCNC(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC001326589516 849289171 /nfs/dbraw/zinc/28/91/71/849289171.db2.gz BZJBWJBHWGUQPU-CQSZACIVSA-N 2 0 352.479 -0.151 20 0 FBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CCCN2CC[NH+](C)CC2)CC[N@@H+]1C ZINC001326594814 849289860 /nfs/dbraw/zinc/28/98/60/849289860.db2.gz CCQUJJHQKZMADK-CVEARBPZSA-N 2 0 353.511 -0.319 20 0 FBADRP C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CCCN2CC[NH+](C)CC2)CC[N@@H+]1C ZINC001326594815 849289551 /nfs/dbraw/zinc/28/95/51/849289551.db2.gz CCQUJJHQKZMADK-HOTGVXAUSA-N 2 0 353.511 -0.319 20 0 FBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CCCN2CC[NH+](C)CC2)CC[N@@H+]1C ZINC001326594816 849289516 /nfs/dbraw/zinc/28/95/16/849289516.db2.gz CCQUJJHQKZMADK-HZPDHXFCSA-N 2 0 353.511 -0.319 20 0 FBADRP C[C@H]1C[C@H](NC(=O)C(=O)N(C)CCCN2CC[NH+](C)CC2)CC[N@@H+]1C ZINC001326594817 849290349 /nfs/dbraw/zinc/29/03/49/849290349.db2.gz CCQUJJHQKZMADK-JKSUJKDBSA-N 2 0 353.511 -0.319 20 0 FBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC2(N3CCOCC3)CCOCC2)CC1 ZINC001326595659 849290172 /nfs/dbraw/zinc/29/01/72/849290172.db2.gz FCGAKOVDZUYOJG-KRWDZBQOSA-N 2 0 356.511 -0.934 20 0 FBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CC2(N3CCOCC3)CCOCC2)CC1 ZINC001326595662 849290040 /nfs/dbraw/zinc/29/00/40/849290040.db2.gz FCGAKOVDZUYOJG-QGZVFWFLSA-N 2 0 356.511 -0.934 20 0 FBADRP CC[NH+](CC)C1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)CC1 ZINC001326596562 849291401 /nfs/dbraw/zinc/29/14/01/849291401.db2.gz LNJQNXAMFAAFLG-INIZCTEOSA-N 2 0 353.511 -0.319 20 0 FBADRP CC[NH+](CC)C1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC001326596564 849291433 /nfs/dbraw/zinc/29/14/33/849291433.db2.gz LNJQNXAMFAAFLG-MRXNPFEDSA-N 2 0 353.511 -0.319 20 0 FBADRP COc1ccc(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)cc1S(N)(=O)=O ZINC001326596984 849291120 /nfs/dbraw/zinc/29/11/20/849291120.db2.gz QAKOENHYELMYHN-AWEZNQCLSA-N 2 0 372.491 -0.960 20 0 FBADRP COc1ccc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)cc1S(N)(=O)=O ZINC001326596985 849291070 /nfs/dbraw/zinc/29/10/70/849291070.db2.gz QAKOENHYELMYHN-CQSZACIVSA-N 2 0 372.491 -0.960 20 0 FBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2cccc(CS(N)(=O)=O)c2)CC1 ZINC001326599036 849290844 /nfs/dbraw/zinc/29/08/44/849290844.db2.gz JXYQYGVSKVDKOY-INIZCTEOSA-N 2 0 356.492 -0.827 20 0 FBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2cccc(CS(N)(=O)=O)c2)CC1 ZINC001326599037 849291343 /nfs/dbraw/zinc/29/13/43/849291343.db2.gz JXYQYGVSKVDKOY-MRXNPFEDSA-N 2 0 356.492 -0.827 20 0 FBADRP Cc1noc(CNC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)n1 ZINC001326609265 849293075 /nfs/dbraw/zinc/29/30/75/849293075.db2.gz ADSAXMUSGZPTGT-GFCCVEGCSA-N 2 0 350.423 -0.721 20 0 FBADRP Cc1noc(CNC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)n1 ZINC001326609266 849292887 /nfs/dbraw/zinc/29/28/87/849292887.db2.gz ADSAXMUSGZPTGT-LBPRGKRZSA-N 2 0 350.423 -0.721 20 0 FBADRP C[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC001326793410 849325373 /nfs/dbraw/zinc/32/53/73/849325373.db2.gz QNMSPNHVSCHXCI-AWEZNQCLSA-N 2 0 352.479 -0.186 20 0 FBADRP C[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC001326793411 849325465 /nfs/dbraw/zinc/32/54/65/849325465.db2.gz QNMSPNHVSCHXCI-CQSZACIVSA-N 2 0 352.479 -0.186 20 0 FBADRP O=C(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CCC2(CC[NH2+]CC2)CC1 ZINC001326836215 849331595 /nfs/dbraw/zinc/33/15/95/849331595.db2.gz DSPNTFZYYHAWNS-LSDHHAIUSA-N 2 0 350.463 -0.744 20 0 FBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC001326970397 849351645 /nfs/dbraw/zinc/35/16/45/849351645.db2.gz UHFDHCXEFSNBLC-CVEARBPZSA-N 2 0 354.495 -0.034 20 0 FBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC001326970398 849351638 /nfs/dbraw/zinc/35/16/38/849351638.db2.gz UHFDHCXEFSNBLC-HOTGVXAUSA-N 2 0 354.495 -0.034 20 0 FBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC001326970399 849351122 /nfs/dbraw/zinc/35/11/22/849351122.db2.gz UHFDHCXEFSNBLC-HZPDHXFCSA-N 2 0 354.495 -0.034 20 0 FBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC001326970400 849351626 /nfs/dbraw/zinc/35/16/26/849351626.db2.gz UHFDHCXEFSNBLC-JKSUJKDBSA-N 2 0 354.495 -0.034 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]2OCCC[C@@H]2C1 ZINC001326991756 849352975 /nfs/dbraw/zinc/35/29/75/849352975.db2.gz MPEXDJQQYAWURC-CVEARBPZSA-N 2 0 354.495 -0.034 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]2OCCC[C@H]2C1 ZINC001326991758 849352995 /nfs/dbraw/zinc/35/29/95/849352995.db2.gz MPEXDJQQYAWURC-HOTGVXAUSA-N 2 0 354.495 -0.034 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]2OCCC[C@@H]2C1 ZINC001326991760 849353146 /nfs/dbraw/zinc/35/31/46/849353146.db2.gz MPEXDJQQYAWURC-HZPDHXFCSA-N 2 0 354.495 -0.034 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]2OCCC[C@H]2C1 ZINC001326991762 849352956 /nfs/dbraw/zinc/35/29/56/849352956.db2.gz MPEXDJQQYAWURC-JKSUJKDBSA-N 2 0 354.495 -0.034 20 0 FBADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1nnn(C2CC[NH2+]CC2)c1C ZINC001327120533 849374825 /nfs/dbraw/zinc/37/48/25/849374825.db2.gz GKPYJYJEQVDQTC-CYBMUJFWSA-N 2 0 350.423 -0.512 20 0 FBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)c1nnn(C2CC[NH2+]CC2)c1C ZINC001327120535 849374968 /nfs/dbraw/zinc/37/49/68/849374968.db2.gz GKPYJYJEQVDQTC-ZDUSSCGKSA-N 2 0 350.423 -0.512 20 0 FBADRP C[C@@H]1[C@H](C(=O)N(C)CCC[NH+](C)CCN2C(=O)CNC2=O)CC[N@@H+]1C ZINC001327213376 849385065 /nfs/dbraw/zinc/38/50/65/849385065.db2.gz QYEACHKXNQBNOS-ZIAGYGMSSA-N 2 0 353.467 -0.341 20 0 FBADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC001327232530 849388054 /nfs/dbraw/zinc/38/80/54/849388054.db2.gz ZQKBSBFEWHJBHH-HNNXBMFYSA-N 2 0 353.511 -0.461 20 0 FBADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC001327232531 849388640 /nfs/dbraw/zinc/38/86/40/849388640.db2.gz ZQKBSBFEWHJBHH-OAHLLOKOSA-N 2 0 353.511 -0.461 20 0 FBADRP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)c1ccc2c(c1)CS(=O)(=O)C2 ZINC001327323673 849403194 /nfs/dbraw/zinc/40/31/94/849403194.db2.gz QGEKDSFCYXPVMA-UHFFFAOYSA-N 2 0 361.489 -0.197 20 0 FBADRP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)C(=O)NCCCC[NH+]1CCOCC1)C2 ZINC001327390760 849414871 /nfs/dbraw/zinc/41/48/71/849414871.db2.gz IJKKAZJYXYIEPP-YJBOKZPZSA-N 2 0 352.479 -0.198 20 0 FBADRP COCC[NH2+]C1CCN(C(=O)C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)CC1 ZINC001327413158 849421865 /nfs/dbraw/zinc/42/18/65/849421865.db2.gz RBAIMPFOHTZDSY-INIZCTEOSA-N 2 0 352.479 -0.090 20 0 FBADRP COCC[NH2+]C1CCN(C(=O)C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC001327413159 849421609 /nfs/dbraw/zinc/42/16/09/849421609.db2.gz RBAIMPFOHTZDSY-MRXNPFEDSA-N 2 0 352.479 -0.090 20 0 FBADRP COCCC[NH+]1CCC(NC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC001327457044 849429952 /nfs/dbraw/zinc/42/99/52/849429952.db2.gz FSVXCMVKMHQTEZ-UHFFFAOYSA-N 2 0 352.439 -0.059 20 0 FBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N2CC[NH+](C3CCOCC3)CC2)n1 ZINC001327470182 849432281 /nfs/dbraw/zinc/43/22/81/849432281.db2.gz BPUDXYZECTYDDY-UHFFFAOYSA-N 2 0 350.423 -0.353 20 0 FBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)NC[C@](C)(O)C[NH+](C)C)CC1 ZINC001327470578 849432249 /nfs/dbraw/zinc/43/22/49/849432249.db2.gz DQDZUKKLGJLHAX-KRWDZBQOSA-N 2 0 357.499 -0.411 20 0 FBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)NC[C@@](C)(O)C[NH+](C)C)CC1 ZINC001327470579 849432226 /nfs/dbraw/zinc/43/22/26/849432226.db2.gz DQDZUKKLGJLHAX-QGZVFWFLSA-N 2 0 357.499 -0.411 20 0 FBADRP CCN1CC[NH+](CCCCNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC001327470806 849432134 /nfs/dbraw/zinc/43/21/34/849432134.db2.gz GEHZGVXYNVBRJF-UHFFFAOYSA-N 2 0 351.495 -0.612 20 0 FBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)NC[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001327471794 849432236 /nfs/dbraw/zinc/43/22/36/849432236.db2.gz LOKBJQSGQBVQKL-KRWDZBQOSA-N 2 0 355.483 -0.657 20 0 FBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)NC[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001327471795 849431999 /nfs/dbraw/zinc/43/19/99/849431999.db2.gz LOKBJQSGQBVQKL-QGZVFWFLSA-N 2 0 355.483 -0.657 20 0 FBADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001327472954 849432067 /nfs/dbraw/zinc/43/20/67/849432067.db2.gz VZOVHCRTBURKSY-DLBZAZTESA-N 2 0 351.495 -0.071 20 0 FBADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001327472955 849432060 /nfs/dbraw/zinc/43/20/60/849432060.db2.gz VZOVHCRTBURKSY-IAGOWNOFSA-N 2 0 351.495 -0.071 20 0 FBADRP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001327472956 849432357 /nfs/dbraw/zinc/43/23/57/849432357.db2.gz VZOVHCRTBURKSY-IRXDYDNUSA-N 2 0 351.495 -0.071 20 0 FBADRP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001327472957 849432310 /nfs/dbraw/zinc/43/23/10/849432310.db2.gz VZOVHCRTBURKSY-SJORKVTESA-N 2 0 351.495 -0.071 20 0 FBADRP C[C@H](CNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)C[NH+]1CCN(C)CC1 ZINC001327496834 849436290 /nfs/dbraw/zinc/43/62/90/849436290.db2.gz YSSRJVPAHDZRFL-GFCCVEGCSA-N 2 0 351.455 -0.676 20 0 FBADRP C[C@@H](CNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)C[NH+]1CCN(C)CC1 ZINC001327496835 849436421 /nfs/dbraw/zinc/43/64/21/849436421.db2.gz YSSRJVPAHDZRFL-LBPRGKRZSA-N 2 0 351.455 -0.676 20 0 FBADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC001327498880 849436556 /nfs/dbraw/zinc/43/65/56/849436556.db2.gz NHSUBDROCSGXFN-CRAIPNDOSA-N 2 0 350.463 -0.432 20 0 FBADRP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC001327498881 849436241 /nfs/dbraw/zinc/43/62/41/849436241.db2.gz NHSUBDROCSGXFN-MAUKXSAKSA-N 2 0 350.463 -0.432 20 0 FBADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC001327498882 849436252 /nfs/dbraw/zinc/43/62/52/849436252.db2.gz NHSUBDROCSGXFN-QAPCUYQASA-N 2 0 350.463 -0.432 20 0 FBADRP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC001327498883 849436212 /nfs/dbraw/zinc/43/62/12/849436212.db2.gz NHSUBDROCSGXFN-YJBOKZPZSA-N 2 0 350.463 -0.432 20 0 FBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CCO1 ZINC001327499777 849437215 /nfs/dbraw/zinc/43/72/15/849437215.db2.gz JDCRKUYQXXLJQY-CYBMUJFWSA-N 2 0 352.439 -0.107 20 0 FBADRP C[NH+](C)CCC[C@H]1CN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CCO1 ZINC001327499778 849437291 /nfs/dbraw/zinc/43/72/91/849437291.db2.gz JDCRKUYQXXLJQY-ZDUSSCGKSA-N 2 0 352.439 -0.107 20 0 FBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC001327500867 849437184 /nfs/dbraw/zinc/43/71/84/849437184.db2.gz PESYVGFFOZMYOM-HNNXBMFYSA-N 2 0 355.483 -0.345 20 0 FBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC001327500869 849437240 /nfs/dbraw/zinc/43/72/40/849437240.db2.gz PESYVGFFOZMYOM-OAHLLOKOSA-N 2 0 355.483 -0.345 20 0 FBADRP CCC[NH+]1CCC(NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC001327501687 849437056 /nfs/dbraw/zinc/43/70/56/849437056.db2.gz ZEMJTCXBNSOHET-UHFFFAOYSA-N 2 0 350.423 -0.752 20 0 FBADRP [NH3+]CC12CC(C1)CN2C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001327510099 849438887 /nfs/dbraw/zinc/43/88/87/849438887.db2.gz KMKVHRKYSPUYKS-VNSJNIRKSA-N 2 0 350.463 -0.447 20 0 FBADRP [NH3+]CC12CC(C1)CN2C(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001327510100 849438659 /nfs/dbraw/zinc/43/86/59/849438659.db2.gz KMKVHRKYSPUYKS-WRSVWVKZSA-N 2 0 350.463 -0.447 20 0 FBADRP C[NH+]1CCC(CCNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC001327510138 849438918 /nfs/dbraw/zinc/43/89/18/849438918.db2.gz LTKSTOBQTSNZFJ-UHFFFAOYSA-N 2 0 350.423 -0.895 20 0 FBADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CC[NH2+]C(C)(C)C3)C2)CC1 ZINC001327516152 849439954 /nfs/dbraw/zinc/43/99/54/849439954.db2.gz GYYIWXNWRKDEEN-AWEZNQCLSA-N 2 0 351.495 -0.519 20 0 FBADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CC[NH2+]C(C)(C)C3)C2)CC1 ZINC001327516153 849439452 /nfs/dbraw/zinc/43/94/52/849439452.db2.gz GYYIWXNWRKDEEN-CQSZACIVSA-N 2 0 351.495 -0.519 20 0 FBADRP O=C(NCCCC[NH+]1CCOCC1)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001327522317 849440600 /nfs/dbraw/zinc/44/06/00/849440600.db2.gz RCDZWUPMAPOMSJ-INIZCTEOSA-N 2 0 352.479 -0.088 20 0 FBADRP O=C(NCCCC[NH+]1CCOCC1)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001327522318 849440355 /nfs/dbraw/zinc/44/03/55/849440355.db2.gz RCDZWUPMAPOMSJ-MRXNPFEDSA-N 2 0 352.479 -0.088 20 0 FBADRP O=C(NCCC1=CC[NH2+]CC1)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001327523198 849440341 /nfs/dbraw/zinc/44/03/41/849440341.db2.gz FXMZOHSUAFYJJX-INIZCTEOSA-N 2 0 350.463 -0.218 20 0 FBADRP O=C(NCCC1=CC[NH2+]CC1)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001327523199 849440418 /nfs/dbraw/zinc/44/04/18/849440418.db2.gz FXMZOHSUAFYJJX-MRXNPFEDSA-N 2 0 350.463 -0.218 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@](CO)(NCc3cn(C)nn3)C2)CC[N@@H+]1C ZINC001327562792 849446195 /nfs/dbraw/zinc/44/61/95/849446195.db2.gz IDKURMRYGQAOBA-FRFSOERESA-N 2 0 350.467 -0.402 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CCC[C@](CO)(NCc3cn(C)nn3)C2)CC[N@@H+]1C ZINC001327562793 849446188 /nfs/dbraw/zinc/44/61/88/849446188.db2.gz IDKURMRYGQAOBA-UNEWFSDZSA-N 2 0 350.467 -0.402 20 0 FBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC001327582830 849449210 /nfs/dbraw/zinc/44/92/10/849449210.db2.gz HSRBUOJYZCOQEX-INIZCTEOSA-N 2 0 355.483 -0.807 20 0 FBADRP CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)N(C)CCC[NH3+])CC2)CC1 ZINC001327585029 849449043 /nfs/dbraw/zinc/44/90/43/849449043.db2.gz UDYIDTFOXRIRPA-UHFFFAOYSA-N 2 0 353.511 -0.189 20 0 FBADRP COCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC001327605582 849452541 /nfs/dbraw/zinc/45/25/41/849452541.db2.gz JULCGMRHFSANLI-CVEARBPZSA-N 2 0 352.479 -0.044 20 0 FBADRP COCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC001327605583 849452283 /nfs/dbraw/zinc/45/22/83/849452283.db2.gz JULCGMRHFSANLI-HOTGVXAUSA-N 2 0 352.479 -0.044 20 0 FBADRP COCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC001327605584 849452613 /nfs/dbraw/zinc/45/26/13/849452613.db2.gz JULCGMRHFSANLI-HZPDHXFCSA-N 2 0 352.479 -0.044 20 0 FBADRP COCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC001327605585 849452386 /nfs/dbraw/zinc/45/23/86/849452386.db2.gz JULCGMRHFSANLI-JKSUJKDBSA-N 2 0 352.479 -0.044 20 0 FBADRP C[C@@H]1[C@H](C(=O)NC2(C[NH2+]Cc3ncnn3C)CCOCC2)CC[N@@H+]1C ZINC001327634345 849456751 /nfs/dbraw/zinc/45/67/51/849456751.db2.gz FNZRHEWQVCKGFA-ZIAGYGMSSA-N 2 0 350.467 -0.090 20 0 FBADRP C[C@@H]1[C@H](C(=O)NC2(C[NH2+]Cc3cnnn3C)CCOCC2)CC[N@@H+]1C ZINC001327635024 849456727 /nfs/dbraw/zinc/45/67/27/849456727.db2.gz PYPYJZVDKMKWHG-UKRRQHHQSA-N 2 0 350.467 -0.090 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)NC2(C[NH2+]C[C@@H](O)COC)CCOCC2)CC[N@@H+]1C ZINC001327635050 849456781 /nfs/dbraw/zinc/45/67/81/849456781.db2.gz QOTWBCKXKSMWPO-OWCLPIDISA-N 2 0 357.495 -0.021 20 0 FBADRP O=C(C(=O)N1CCCC2(CC[NH2+]CC2)C1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001327706659 849467434 /nfs/dbraw/zinc/46/74/34/849467434.db2.gz HWEFHAUCGZMHLK-LSDHHAIUSA-N 2 0 350.463 -0.744 20 0 FBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)NCCN2CC[NH2+]CC2)CC1 ZINC001327819145 849487958 /nfs/dbraw/zinc/48/79/58/849487958.db2.gz NCYHCVGTEZTUQZ-UHFFFAOYSA-N 2 0 354.499 -0.819 20 0 FBADRP [NH3+]CCC1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC001327846694 849491423 /nfs/dbraw/zinc/49/14/23/849491423.db2.gz IJBWFGDMCUXOHA-INIZCTEOSA-N 2 0 352.479 -0.057 20 0 FBADRP [NH3+]CCC1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC001327846698 849491458 /nfs/dbraw/zinc/49/14/58/849491458.db2.gz IJBWFGDMCUXOHA-MRXNPFEDSA-N 2 0 352.479 -0.057 20 0 FBADRP O=C(NCCC1CC[NH2+]CC1)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001327848758 849491498 /nfs/dbraw/zinc/49/14/98/849491498.db2.gz UMXZDBULNCXJON-INIZCTEOSA-N 2 0 352.479 -0.138 20 0 FBADRP O=C(NCCC1CC[NH2+]CC1)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001327848759 849491473 /nfs/dbraw/zinc/49/14/73/849491473.db2.gz UMXZDBULNCXJON-MRXNPFEDSA-N 2 0 352.479 -0.138 20 0 FBADRP CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)CC2)CC1 ZINC001327849349 849491533 /nfs/dbraw/zinc/49/15/33/849491533.db2.gz WMRAOYIMWBSNRW-HNNXBMFYSA-N 2 0 351.495 -0.519 20 0 FBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCC1CC[NH+](C2CCOCC2)CC1 ZINC001327929785 849504021 /nfs/dbraw/zinc/50/40/21/849504021.db2.gz UYMKLCAMEYIAPU-INIZCTEOSA-N 2 0 352.479 -0.138 20 0 FBADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCC1CC[NH+](C2CCOCC2)CC1 ZINC001327929786 849504102 /nfs/dbraw/zinc/50/41/02/849504102.db2.gz UYMKLCAMEYIAPU-MRXNPFEDSA-N 2 0 352.479 -0.138 20 0 FBADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC001327929813 849503668 /nfs/dbraw/zinc/50/36/68/849503668.db2.gz VNQAPRKJTWWMPU-GXTWGEPZSA-N 2 0 350.423 -0.430 20 0 FBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC001327929814 849503968 /nfs/dbraw/zinc/50/39/68/849503968.db2.gz VNQAPRKJTWWMPU-JSGCOSHPSA-N 2 0 350.423 -0.430 20 0 FBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC001327929816 849503562 /nfs/dbraw/zinc/50/35/62/849503562.db2.gz VNQAPRKJTWWMPU-OCCSQVGLSA-N 2 0 350.423 -0.430 20 0 FBADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC001327929819 849504028 /nfs/dbraw/zinc/50/40/28/849504028.db2.gz VNQAPRKJTWWMPU-TZMCWYRMSA-N 2 0 350.423 -0.430 20 0 FBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2ccccc2NS(C)(=O)=O)CC1 ZINC001327975485 849509673 /nfs/dbraw/zinc/50/96/73/849509673.db2.gz JDIIOSYXMDTOAL-HNNXBMFYSA-N 2 0 356.492 -0.244 20 0 FBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2ccccc2NS(C)(=O)=O)CC1 ZINC001327975487 849509855 /nfs/dbraw/zinc/50/98/55/849509855.db2.gz JDIIOSYXMDTOAL-OAHLLOKOSA-N 2 0 356.492 -0.244 20 0 FBADRP Cn1ccc(N2CCC[C@H]([NH2+]C[C@@H](O)CN3CC[NH+](C)CC3)C2=O)n1 ZINC001327977541 849509903 /nfs/dbraw/zinc/50/99/03/849509903.db2.gz HCTFIFPSBYXZQC-CABCVRRESA-N 2 0 350.467 -0.887 20 0 FBADRP Cn1ccc(N2CCC[C@H]([NH2+]C[C@H](O)CN3CC[NH+](C)CC3)C2=O)n1 ZINC001327977543 849509734 /nfs/dbraw/zinc/50/97/34/849509734.db2.gz HCTFIFPSBYXZQC-GJZGRUSLSA-N 2 0 350.467 -0.887 20 0 FBADRP Cn1ccc(N2CCC[C@@H]([NH2+]C[C@@H](O)CN3CC[NH+](C)CC3)C2=O)n1 ZINC001327977545 849509927 /nfs/dbraw/zinc/50/99/27/849509927.db2.gz HCTFIFPSBYXZQC-HUUCEWRRSA-N 2 0 350.467 -0.887 20 0 FBADRP Cn1ccc(N2CCC[C@@H]([NH2+]C[C@H](O)CN3CC[NH+](C)CC3)C2=O)n1 ZINC001327977547 849509946 /nfs/dbraw/zinc/50/99/46/849509946.db2.gz HCTFIFPSBYXZQC-LSDHHAIUSA-N 2 0 350.467 -0.887 20 0 FBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2ccc3c(c2)CCS3(=O)=O)CC1 ZINC001327978789 849510688 /nfs/dbraw/zinc/51/06/88/849510688.db2.gz SBUDYMFNIKUNOE-INIZCTEOSA-N 2 0 353.488 -0.286 20 0 FBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2ccc3c(c2)CCS3(=O)=O)CC1 ZINC001327978790 849510613 /nfs/dbraw/zinc/51/06/13/849510613.db2.gz SBUDYMFNIKUNOE-MRXNPFEDSA-N 2 0 353.488 -0.286 20 0 FBADRP COCCN(CCF)C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001327989599 849511356 /nfs/dbraw/zinc/51/13/56/849511356.db2.gz XIKMWORNQRNDIS-AWEZNQCLSA-N 2 0 358.458 -0.284 20 0 FBADRP COCCN(CCF)C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001327989601 849511202 /nfs/dbraw/zinc/51/12/02/849511202.db2.gz XIKMWORNQRNDIS-CQSZACIVSA-N 2 0 358.458 -0.284 20 0 FBADRP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001328030444 849516645 /nfs/dbraw/zinc/51/66/45/849516645.db2.gz YGWXXKLIZIEHGN-FXUDXRNXSA-N 2 0 352.479 -0.045 20 0 FBADRP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001328030445 849516975 /nfs/dbraw/zinc/51/69/75/849516975.db2.gz YGWXXKLIZIEHGN-LVQVYYBASA-N 2 0 352.479 -0.045 20 0 FBADRP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001328030446 849517070 /nfs/dbraw/zinc/51/70/70/849517070.db2.gz YGWXXKLIZIEHGN-XUWVNRHRSA-N 2 0 352.479 -0.045 20 0 FBADRP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001328030447 849516754 /nfs/dbraw/zinc/51/67/54/849516754.db2.gz YGWXXKLIZIEHGN-YHUYYLMFSA-N 2 0 352.479 -0.045 20 0 FBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)CC[N@@H+]1C ZINC001328034772 849516692 /nfs/dbraw/zinc/51/66/92/849516692.db2.gz DLVSZOGQSCHMKJ-FMKPAKJESA-N 2 0 352.479 -0.357 20 0 FBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)CC[N@@H+]1C ZINC001328034773 849517119 /nfs/dbraw/zinc/51/71/19/849517119.db2.gz DLVSZOGQSCHMKJ-IIAWOOMASA-N 2 0 352.479 -0.357 20 0 FBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)CC[N@@H+]1C ZINC001328034774 849516843 /nfs/dbraw/zinc/51/68/43/849516843.db2.gz DLVSZOGQSCHMKJ-IJEWVQPXSA-N 2 0 352.479 -0.357 20 0 FBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)CC[N@@H+]1C ZINC001328034775 849516605 /nfs/dbraw/zinc/51/66/05/849516605.db2.gz DLVSZOGQSCHMKJ-YCPHGPKFSA-N 2 0 352.479 -0.357 20 0 FBADRP C[NH+](C)CCOCCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001328111737 849527728 /nfs/dbraw/zinc/52/77/28/849527728.db2.gz VPLJNSWMFGKJMD-HNNXBMFYSA-N 2 0 356.467 -0.950 20 0 FBADRP C[NH+](C)CCOCCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001328111738 849527821 /nfs/dbraw/zinc/52/78/21/849527821.db2.gz VPLJNSWMFGKJMD-OAHLLOKOSA-N 2 0 356.467 -0.950 20 0 FBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC001328152013 849533241 /nfs/dbraw/zinc/53/32/41/849533241.db2.gz INJMTJXUPOTIBD-BMFZPTHFSA-N 2 0 352.479 -0.188 20 0 FBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC001328152014 849533618 /nfs/dbraw/zinc/53/36/18/849533618.db2.gz INJMTJXUPOTIBD-CWRNSKLLSA-N 2 0 352.479 -0.188 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N2CCC(O)(C[NH2+]CCOCCO)CC2)CC[N@@H+]1C ZINC001328167785 849535080 /nfs/dbraw/zinc/53/50/80/849535080.db2.gz XZPXJDZPGYOECW-JKSUJKDBSA-N 2 0 357.495 -0.331 20 0 FBADRP COCC1(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC[NH2+]CC1 ZINC001328181021 849538801 /nfs/dbraw/zinc/53/88/01/849538801.db2.gz DTXMAZVHFPITSX-INIZCTEOSA-N 2 0 354.495 -0.475 20 0 FBADRP COCC1(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC[NH2+]CC1 ZINC001328181022 849538992 /nfs/dbraw/zinc/53/89/92/849538992.db2.gz DTXMAZVHFPITSX-MRXNPFEDSA-N 2 0 354.495 -0.475 20 0 FBADRP CC[NH+]1CCC(NC(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)CC1 ZINC001328223291 849545240 /nfs/dbraw/zinc/54/52/40/849545240.db2.gz UCNJACSUJQAHCJ-INIZCTEOSA-N 2 0 352.479 -0.356 20 0 FBADRP CC[NH+]1CCC(NC(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC001328223293 849545264 /nfs/dbraw/zinc/54/52/64/849545264.db2.gz UCNJACSUJQAHCJ-MRXNPFEDSA-N 2 0 352.479 -0.356 20 0 FBADRP C[NH+](C)C1(C(=O)NCC2(O)CCN(C(=O)C3([NH+](C)C)CC3)CC2)CC1 ZINC001328342237 849565540 /nfs/dbraw/zinc/56/55/40/849565540.db2.gz HYUKZSVYJKYHIM-UHFFFAOYSA-N 2 0 352.479 -0.356 20 0 FBADRP O=C(NCC12CC(C1)C[NH2+]2)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001328353324 849567301 /nfs/dbraw/zinc/56/73/01/849567301.db2.gz IZTGQAQRHKDTMI-VNSJNIRKSA-N 2 0 350.463 -0.528 20 0 FBADRP O=C(NCC12CC(C1)C[NH2+]2)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001328353326 849567308 /nfs/dbraw/zinc/56/73/08/849567308.db2.gz IZTGQAQRHKDTMI-WRSVWVKZSA-N 2 0 350.463 -0.528 20 0 FBADRP CC[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC[C@@H]1[NH3+] ZINC001328379643 849572868 /nfs/dbraw/zinc/57/28/68/849572868.db2.gz BMAZRBUIKHHROM-BMFZPTHFSA-N 2 0 352.479 -0.058 20 0 FBADRP CC[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC[C@H]1[NH3+] ZINC001328379644 849573005 /nfs/dbraw/zinc/57/30/05/849573005.db2.gz BMAZRBUIKHHROM-FVQBIDKESA-N 2 0 352.479 -0.058 20 0 FBADRP CC[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC[C@@H]1[NH3+] ZINC001328379645 849572521 /nfs/dbraw/zinc/57/25/21/849572521.db2.gz BMAZRBUIKHHROM-KBMXLJTQSA-N 2 0 352.479 -0.058 20 0 FBADRP CC[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC[C@H]1[NH3+] ZINC001328379646 849572455 /nfs/dbraw/zinc/57/24/55/849572455.db2.gz BMAZRBUIKHHROM-VNQPRFMTSA-N 2 0 352.479 -0.058 20 0 FBADRP C[NH2+]CC1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC001328380387 849572893 /nfs/dbraw/zinc/57/28/93/849572893.db2.gz MHTXBUMAABMJQH-INIZCTEOSA-N 2 0 352.479 -0.186 20 0 FBADRP C[NH2+]CC1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC001328380388 849572423 /nfs/dbraw/zinc/57/24/23/849572423.db2.gz MHTXBUMAABMJQH-MRXNPFEDSA-N 2 0 352.479 -0.186 20 0 FBADRP C[NH+]1CC[C@H](C(=O)N2CCN(CCNC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001328384324 849572752 /nfs/dbraw/zinc/57/27/52/849572752.db2.gz QBWGQJKYTACGBU-CVEARBPZSA-N 2 0 351.495 -0.850 20 0 FBADRP C[NH+]1CC[C@H](C(=O)N2CCN(CCNC(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001328384325 849572850 /nfs/dbraw/zinc/57/28/50/849572850.db2.gz QBWGQJKYTACGBU-HOTGVXAUSA-N 2 0 351.495 -0.850 20 0 FBADRP C[NH+]1CC[C@@H](C(=O)N2CCN(CCNC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001328384326 849572946 /nfs/dbraw/zinc/57/29/46/849572946.db2.gz QBWGQJKYTACGBU-HZPDHXFCSA-N 2 0 351.495 -0.850 20 0 FBADRP C[NH+]1CC[C@@H](C(=O)N2CCN(CCNC(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001328384327 849572653 /nfs/dbraw/zinc/57/26/53/849572653.db2.gz QBWGQJKYTACGBU-JKSUJKDBSA-N 2 0 351.495 -0.850 20 0 FBADRP CS(=O)(=O)C1(C(=O)Nc2ccc(N3CC[NH2+]CC3)cn2)CC[NH2+]CC1 ZINC001328476578 849587284 /nfs/dbraw/zinc/58/72/84/849587284.db2.gz BRVCEBJIJKHIGE-UHFFFAOYSA-N 2 0 367.475 -0.404 20 0 FBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2cn(CCCC[NH3+])nn2)C1 ZINC001328581668 849602488 /nfs/dbraw/zinc/60/24/88/849602488.db2.gz TTWMQQHPKDEHAM-CYBMUJFWSA-N 2 0 351.455 -0.666 20 0 FBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2cn(CCCC[NH3+])nn2)C1 ZINC001328581669 849602160 /nfs/dbraw/zinc/60/21/60/849602160.db2.gz TTWMQQHPKDEHAM-ZDUSSCGKSA-N 2 0 351.455 -0.666 20 0 FBADRP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)CC1 ZINC001328594211 849604035 /nfs/dbraw/zinc/60/40/35/849604035.db2.gz UDNUDFQUANIBOX-HNNXBMFYSA-N 2 0 374.551 -0.457 20 0 FBADRP CC[NH+]1CCN(C[C@H](C)CNC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)CC1 ZINC001328594212 849603951 /nfs/dbraw/zinc/60/39/51/849603951.db2.gz UDNUDFQUANIBOX-OAHLLOKOSA-N 2 0 374.551 -0.457 20 0 FBADRP C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC001328799978 849634264 /nfs/dbraw/zinc/63/42/64/849634264.db2.gz UXYYTOSDLUYCFD-DZKIICNBSA-N 2 0 352.479 -0.058 20 0 FBADRP C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC001328799981 849634084 /nfs/dbraw/zinc/63/40/84/849634084.db2.gz UXYYTOSDLUYCFD-LZWOXQAQSA-N 2 0 352.479 -0.058 20 0 FBADRP C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC001328799983 849633894 /nfs/dbraw/zinc/63/38/94/849633894.db2.gz UXYYTOSDLUYCFD-OFQRWUPVSA-N 2 0 352.479 -0.058 20 0 FBADRP C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC001328799985 849634089 /nfs/dbraw/zinc/63/40/89/849634089.db2.gz UXYYTOSDLUYCFD-SQWLQELKSA-N 2 0 352.479 -0.058 20 0 FBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC([NH+](C)CCCO)CC2)CC[N@@H+]1C ZINC001328800228 849634010 /nfs/dbraw/zinc/63/40/10/849634010.db2.gz RDNCIWFMULRFBW-CABCVRRESA-N 2 0 354.495 -0.110 20 0 FBADRP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCC([NH+](C)CCCO)CC2)CC[N@@H+]1C ZINC001328800230 849633875 /nfs/dbraw/zinc/63/38/75/849633875.db2.gz RDNCIWFMULRFBW-GJZGRUSLSA-N 2 0 354.495 -0.110 20 0 FBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC([NH+](C)CCCO)CC2)CC[N@@H+]1C ZINC001328800233 849633943 /nfs/dbraw/zinc/63/39/43/849633943.db2.gz RDNCIWFMULRFBW-HUUCEWRRSA-N 2 0 354.495 -0.110 20 0 FBADRP C[C@H]1C[C@H](NC(=O)C(=O)N2CCC([NH+](C)CCCO)CC2)CC[N@@H+]1C ZINC001328800234 849633853 /nfs/dbraw/zinc/63/38/53/849633853.db2.gz RDNCIWFMULRFBW-LSDHHAIUSA-N 2 0 354.495 -0.110 20 0 FBADRP COCC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)CC1 ZINC001328800461 849634160 /nfs/dbraw/zinc/63/41/60/849634160.db2.gz ZLWPTGLCVQHOQM-KSSFIOAISA-N 2 0 352.479 -0.199 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)NC2CC(C[NH2+]CCNS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001328859356 849646653 /nfs/dbraw/zinc/64/66/53/849646653.db2.gz QFKRVQAHLUXZER-PFSRBDOWSA-N 2 0 360.524 -0.250 20 0 FBADRP C[C@@H]1[C@H](C(=O)NC2CC(C[NH2+]CCN3C(=O)CNC3=O)C2)CC[N@@H+]1C ZINC001328859657 849646097 /nfs/dbraw/zinc/64/60/97/849646097.db2.gz UHVHLIFOQHKUJL-BLYZHGLHSA-N 2 0 351.451 -0.637 20 0 FBADRP C[C@@H]1C[C@H](NC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC[N@@H+]1C ZINC001328921725 849659318 /nfs/dbraw/zinc/65/93/18/849659318.db2.gz NGFQSZUPUKNVAW-BMFZPTHFSA-N 2 0 352.479 -0.045 20 0 FBADRP C[C@@H]1C[C@H](NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC[N@@H+]1C ZINC001328921726 849659154 /nfs/dbraw/zinc/65/91/54/849659154.db2.gz NGFQSZUPUKNVAW-FVQBIDKESA-N 2 0 352.479 -0.045 20 0 FBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC[N@@H+]1C ZINC001328921727 849658787 /nfs/dbraw/zinc/65/87/87/849658787.db2.gz NGFQSZUPUKNVAW-KBMXLJTQSA-N 2 0 352.479 -0.045 20 0 FBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC[N@@H+]1C ZINC001328921728 849659231 /nfs/dbraw/zinc/65/92/31/849659231.db2.gz NGFQSZUPUKNVAW-VNQPRFMTSA-N 2 0 352.479 -0.045 20 0 FBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC001328925539 849659924 /nfs/dbraw/zinc/65/99/24/849659924.db2.gz BJSNAAMTTPPSBH-KRWDZBQOSA-N 2 0 354.543 -0.051 20 0 FBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC001328925540 849659715 /nfs/dbraw/zinc/65/97/15/849659715.db2.gz BJSNAAMTTPPSBH-QGZVFWFLSA-N 2 0 354.543 -0.051 20 0 FBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCC2([NH3+])CCOCC2)CC1 ZINC001328958873 849665955 /nfs/dbraw/zinc/66/59/55/849665955.db2.gz FVQZHXFSINVHKH-UHFFFAOYSA-N 2 0 355.483 -0.264 20 0 FBADRP CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+]C3)CC2)CC1 ZINC001329015239 849674855 /nfs/dbraw/zinc/67/48/55/849674855.db2.gz WMRAOYIMWBSNRW-OAHLLOKOSA-N 2 0 351.495 -0.519 20 0 FBADRP [NH3+]C1(CNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CCOCC1 ZINC001329053174 849680177 /nfs/dbraw/zinc/68/01/77/849680177.db2.gz DHJNSLASIMCSOZ-HNNXBMFYSA-N 2 0 355.483 -0.800 20 0 FBADRP [NH3+]C1(CNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CCOCC1 ZINC001329053175 849680101 /nfs/dbraw/zinc/68/01/01/849680101.db2.gz DHJNSLASIMCSOZ-OAHLLOKOSA-N 2 0 355.483 -0.800 20 0 FBADRP C[NH+]1CCC(NC(=O)C(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)CC1 ZINC001329058956 849680942 /nfs/dbraw/zinc/68/09/42/849680942.db2.gz DYFMNCBSEZPHPK-INIZCTEOSA-N 2 0 352.479 -0.186 20 0 FBADRP C[NH+]1CCC(NC(=O)C(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)CC1 ZINC001329058957 849680966 /nfs/dbraw/zinc/68/09/66/849680966.db2.gz DYFMNCBSEZPHPK-MRXNPFEDSA-N 2 0 352.479 -0.186 20 0 FBADRP CN(CCOCC[NH3+])C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001329071256 849682038 /nfs/dbraw/zinc/68/20/38/849682038.db2.gz WMNZQAYKZJZTIA-HNNXBMFYSA-N 2 0 356.467 -0.820 20 0 FBADRP CN(CCOCC[NH3+])C(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001329071257 849682305 /nfs/dbraw/zinc/68/23/05/849682305.db2.gz WMNZQAYKZJZTIA-OAHLLOKOSA-N 2 0 356.467 -0.820 20 0 FBADRP C[N@H+](CCNC(=O)C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1)C1CC1 ZINC001329071635 849683259 /nfs/dbraw/zinc/68/32/59/849683259.db2.gz XWIQNITWCLJWNM-INIZCTEOSA-N 2 0 352.479 -0.186 20 0 FBADRP C[N@H+](CCNC(=O)C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1)C1CC1 ZINC001329071636 849683103 /nfs/dbraw/zinc/68/31/03/849683103.db2.gz XWIQNITWCLJWNM-MRXNPFEDSA-N 2 0 352.479 -0.186 20 0 FBADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)NCC2([NH3+])CCOCC2)CC1 ZINC001329096657 849684658 /nfs/dbraw/zinc/68/46/58/849684658.db2.gz XFBMYAXGGXBQBZ-UHFFFAOYSA-N 2 0 356.467 -0.820 20 0 FBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2cccc(CS(C)(=O)=O)c2)CC1 ZINC001329134460 849692086 /nfs/dbraw/zinc/69/20/86/849692086.db2.gz KRHWHCXTLUAGGZ-KRWDZBQOSA-N 2 0 355.504 -0.071 20 0 FBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2cccc(CS(C)(=O)=O)c2)CC1 ZINC001329134462 849692555 /nfs/dbraw/zinc/69/25/55/849692555.db2.gz KRHWHCXTLUAGGZ-QGZVFWFLSA-N 2 0 355.504 -0.071 20 0 FBADRP CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)N(C)C[C@H](C)[NH3+])CC2)CC1 ZINC001329164124 849696783 /nfs/dbraw/zinc/69/67/83/849696783.db2.gz YVSDHRXKYGIEBM-HNNXBMFYSA-N 2 0 353.511 -0.191 20 0 FBADRP CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)N(C)C[C@@H](C)[NH3+])CC2)CC1 ZINC001329164125 849696795 /nfs/dbraw/zinc/69/67/95/849696795.db2.gz YVSDHRXKYGIEBM-OAHLLOKOSA-N 2 0 353.511 -0.191 20 0 FBADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC001329188578 849701187 /nfs/dbraw/zinc/70/11/87/849701187.db2.gz KQCRNOMBLSVPBS-GDBMZVCRSA-N 2 0 352.479 -0.234 20 0 FBADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC001329188579 849701424 /nfs/dbraw/zinc/70/14/24/849701424.db2.gz KQCRNOMBLSVPBS-GOEBONIOSA-N 2 0 352.479 -0.234 20 0 FBADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC001329188580 849701673 /nfs/dbraw/zinc/70/16/73/849701673.db2.gz KQCRNOMBLSVPBS-HOCLYGCPSA-N 2 0 352.479 -0.234 20 0 FBADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC001329188581 849701278 /nfs/dbraw/zinc/70/12/78/849701278.db2.gz KQCRNOMBLSVPBS-ZBFHGGJFSA-N 2 0 352.479 -0.234 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N(C)CC(C)(C)C[NH2+]CC(=O)NC(N)=O)CC[N@@H+]1C ZINC001329291441 849716295 /nfs/dbraw/zinc/71/62/95/849716295.db2.gz USZGMYINNMTFRP-QWHCGFSZSA-N 2 0 355.483 -0.014 20 0 FBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001329337708 849722922 /nfs/dbraw/zinc/72/29/22/849722922.db2.gz BAAZNXSIIJLGOL-UHFFFAOYSA-N 2 0 353.511 -0.365 20 0 FBADRP CN(Cc1ccon1)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001329365242 849728446 /nfs/dbraw/zinc/72/84/46/849728446.db2.gz KHWFEUDAHDXLJV-ZIAGYGMSSA-N 2 0 351.451 -0.169 20 0 FBADRP CC[C@@]1(O)CCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC001329378136 849730937 /nfs/dbraw/zinc/73/09/37/849730937.db2.gz HIDZPGNJLMRZEJ-IIDMSEBBSA-N 2 0 354.495 -0.442 20 0 FBADRP CC[C@]1(O)CCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC001329378320 849731197 /nfs/dbraw/zinc/73/11/97/849731197.db2.gz HIDZPGNJLMRZEJ-RKVPGOIHSA-N 2 0 354.495 -0.442 20 0 FBADRP Cn1cc(S(=O)(=O)N(CC[NH+](C)C)C2CC[NH+](C)CC2)c(=O)[nH]c1=O ZINC001329392718 849733288 /nfs/dbraw/zinc/73/32/88/849733288.db2.gz GTFWBVREGPMTQQ-UHFFFAOYSA-N 2 0 373.479 -0.868 20 0 FBADRP [NH3+]CC1(NC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CCOCC1 ZINC001329426119 849738101 /nfs/dbraw/zinc/73/81/01/849738101.db2.gz OEONJOGLOVSTSU-HNNXBMFYSA-N 2 0 355.483 -0.800 20 0 FBADRP [NH3+]CC1(NC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CCOCC1 ZINC001329426122 849738333 /nfs/dbraw/zinc/73/83/33/849738333.db2.gz OEONJOGLOVSTSU-OAHLLOKOSA-N 2 0 355.483 -0.800 20 0 FBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)CC1 ZINC001329432410 849739571 /nfs/dbraw/zinc/73/95/71/849739571.db2.gz FXAIDAQTFKMAOG-OAHLLOKOSA-N 2 0 355.483 -0.657 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@]23CCOC3)C[C@H]1C[NH+](C)C ZINC001329435450 849740352 /nfs/dbraw/zinc/74/03/52/849740352.db2.gz DTDQLPJZUDYHQS-IIDMSEBBSA-N 2 0 352.479 -0.424 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@@]23CCOC3)C[C@H]1C[NH+](C)C ZINC001329435452 849739874 /nfs/dbraw/zinc/73/98/74/849739874.db2.gz DTDQLPJZUDYHQS-RKVPGOIHSA-N 2 0 352.479 -0.424 20 0 FBADRP [NH3+]CCCOCCNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001329437166 849741466 /nfs/dbraw/zinc/74/14/66/849741466.db2.gz IGYUXICWENOGCJ-HNNXBMFYSA-N 2 0 356.467 -0.772 20 0 FBADRP [NH3+]CCCOCCNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001329437167 849741080 /nfs/dbraw/zinc/74/10/80/849741080.db2.gz IGYUXICWENOGCJ-OAHLLOKOSA-N 2 0 356.467 -0.772 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+](C)CCN2C(=O)CNC2=O)CC[N@@H+]1C ZINC001329443388 849742135 /nfs/dbraw/zinc/74/21/35/849742135.db2.gz ZSFOCTNQJYMHNK-HZSPNIEDSA-N 2 0 353.467 -0.295 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH+](C)CCN2C(=O)CNC2=O)CC[N@@H+]1C ZINC001329443389 849742284 /nfs/dbraw/zinc/74/22/84/849742284.db2.gz ZSFOCTNQJYMHNK-MELADBBJSA-N 2 0 353.467 -0.295 20 0 FBADRP COCCC[NH+]1CCC(NC(=O)C(=O)NCC2([NH3+])CCOCC2)CC1 ZINC001329446552 849743545 /nfs/dbraw/zinc/74/35/45/849743545.db2.gz JMQPONQFIHXJPB-UHFFFAOYSA-N 2 0 356.467 -0.772 20 0 FBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC001329446837 849743318 /nfs/dbraw/zinc/74/33/18/849743318.db2.gz KRRXXMLZBYRQKC-XJKSGUPXSA-N 2 0 351.495 -0.472 20 0 FBADRP CN(C[C@H]1C[C@@H](O)C1)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001329448692 849744874 /nfs/dbraw/zinc/74/48/74/849744874.db2.gz FFGRSFMNDXXRHL-FPCVCCKLSA-N 2 0 354.495 -0.587 20 0 FBADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCOC3(CC[NH+](C)CC3)C2)C1 ZINC001329452955 849745953 /nfs/dbraw/zinc/74/59/53/849745953.db2.gz GVNGYTXSZYOCOV-HNNXBMFYSA-N 2 0 352.479 -0.280 20 0 FBADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CCOC3(CC[NH+](C)CC3)C2)C1 ZINC001329452957 849745832 /nfs/dbraw/zinc/74/58/32/849745832.db2.gz GVNGYTXSZYOCOV-OAHLLOKOSA-N 2 0 352.479 -0.280 20 0 FBADRP NS(=O)(=O)c1ccc(CCNC(=O)CC[NH+]2CCC([NH3+])CC2)cc1 ZINC001329483128 849753826 /nfs/dbraw/zinc/75/38/26/849753826.db2.gz JVVHMNBLGGKARM-UHFFFAOYSA-N 2 0 354.476 -0.194 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3C[C@@]3(CO)C2)C[C@H]1C[NH+](C)C ZINC001329483723 849753797 /nfs/dbraw/zinc/75/37/97/849753797.db2.gz KTDQQFYBCOHOSY-ADAWSYLGSA-N 2 0 352.479 -0.975 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3C[C@]3(CO)C2)C[C@H]1C[NH+](C)C ZINC001329483726 849753541 /nfs/dbraw/zinc/75/35/41/849753541.db2.gz KTDQQFYBCOHOSY-ZXFNITATSA-N 2 0 352.479 -0.975 20 0 FBADRP O=C(COC1CC[NH2+]CC1)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC001329498569 849756552 /nfs/dbraw/zinc/75/65/52/849756552.db2.gz IGGGNIAQJNYTDK-GDBMZVCRSA-N 2 0 352.479 -0.138 20 0 FBADRP O=C(COC1CC[NH2+]CC1)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC001329498572 849756703 /nfs/dbraw/zinc/75/67/03/849756703.db2.gz IGGGNIAQJNYTDK-GOEBONIOSA-N 2 0 352.479 -0.138 20 0 FBADRP O=C(COC1CC[NH2+]CC1)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001329498575 849756675 /nfs/dbraw/zinc/75/66/75/849756675.db2.gz IGGGNIAQJNYTDK-HOCLYGCPSA-N 2 0 352.479 -0.138 20 0 FBADRP O=C(COC1CC[NH2+]CC1)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001329498580 849757070 /nfs/dbraw/zinc/75/70/70/849757070.db2.gz IGGGNIAQJNYTDK-ZBFHGGJFSA-N 2 0 352.479 -0.138 20 0 FBADRP COCCN(CCF)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001329509277 849759154 /nfs/dbraw/zinc/75/91/54/849759154.db2.gz RRHUTSYMEXTTCJ-HUUCEWRRSA-N 2 0 360.474 -0.371 20 0 FBADRP COC1(C(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC[NH2+]CC1 ZINC001329514048 849759911 /nfs/dbraw/zinc/75/99/11/849759911.db2.gz PNQXUJADDRXDQS-CABCVRRESA-N 2 0 352.479 -0.138 20 0 FBADRP COC1(C(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC[NH2+]CC1 ZINC001329514049 849759730 /nfs/dbraw/zinc/75/97/30/849759730.db2.gz PNQXUJADDRXDQS-GJZGRUSLSA-N 2 0 352.479 -0.138 20 0 FBADRP COC1(C(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC[NH2+]CC1 ZINC001329514050 849759674 /nfs/dbraw/zinc/75/96/74/849759674.db2.gz PNQXUJADDRXDQS-HUUCEWRRSA-N 2 0 352.479 -0.138 20 0 FBADRP COC1(C(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC[NH2+]CC1 ZINC001329514051 849760090 /nfs/dbraw/zinc/76/00/90/849760090.db2.gz PNQXUJADDRXDQS-LSDHHAIUSA-N 2 0 352.479 -0.138 20 0 FBADRP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCC([NH+]3CCN(C)CC3)CC2)C1 ZINC001329517028 849760014 /nfs/dbraw/zinc/76/00/14/849760014.db2.gz PHDYFAHGLZRDKX-HNNXBMFYSA-N 2 0 351.495 -0.565 20 0 FBADRP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC([NH+]3CCN(C)CC3)CC2)C1 ZINC001329517029 849760109 /nfs/dbraw/zinc/76/01/09/849760109.db2.gz PHDYFAHGLZRDKX-OAHLLOKOSA-N 2 0 351.495 -0.565 20 0 FBADRP CN(C)c1nc(N)nc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)n1 ZINC001329550459 849765094 /nfs/dbraw/zinc/76/50/94/849765094.db2.gz DTUNCAOEYIVZDZ-VXGBXAGGSA-N 2 0 350.471 -0.669 20 0 FBADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C3(S(C)(=O)=O)CC[NH2+]CC3)C2)CC1 ZINC001329568045 849768403 /nfs/dbraw/zinc/76/84/03/849768403.db2.gz DXRNFAJDGGZDEK-AWEZNQCLSA-N 2 0 372.535 -0.562 20 0 FBADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C3(S(C)(=O)=O)CC[NH2+]CC3)C2)CC1 ZINC001329568048 849768330 /nfs/dbraw/zinc/76/83/30/849768330.db2.gz DXRNFAJDGGZDEK-CQSZACIVSA-N 2 0 372.535 -0.562 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)CCCN2C(=O)CNC2=O)C[C@H]1C[NH+](C)C ZINC001329607904 849774706 /nfs/dbraw/zinc/77/47/06/849774706.db2.gz KHPIOZOIJFAFQL-ZIAGYGMSSA-N 2 0 353.467 -0.484 20 0 FBADRP Cn1cc(S(N)(=O)=O)cc1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001329607987 849774761 /nfs/dbraw/zinc/77/47/61/849774761.db2.gz LSLQPTZMYFOJIV-CHWSQXEVSA-N 2 0 371.507 -0.516 20 0 FBADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)C1 ZINC001329611630 849775920 /nfs/dbraw/zinc/77/59/20/849775920.db2.gz DNMZOJBVMGISEH-HNNXBMFYSA-N 2 0 352.479 -0.232 20 0 FBADRP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)C1 ZINC001329611631 849776058 /nfs/dbraw/zinc/77/60/58/849776058.db2.gz DNMZOJBVMGISEH-OAHLLOKOSA-N 2 0 352.479 -0.232 20 0 FBADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)NCC(=O)N3CC[NH2+]CC3)C2)C1 ZINC001329676010 849789857 /nfs/dbraw/zinc/78/98/57/849789857.db2.gz USFIEMICPDFBNE-KFWWJZLASA-N 2 0 353.467 -0.654 20 0 FBADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)NCC(=O)N3CC[NH2+]CC3)C2)C1 ZINC001329676012 849790038 /nfs/dbraw/zinc/79/00/38/849790038.db2.gz USFIEMICPDFBNE-RBSFLKMASA-N 2 0 353.467 -0.654 20 0 FBADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)NCC(=O)N3CC[NH2+]CC3)C2)C1 ZINC001329676015 849790365 /nfs/dbraw/zinc/79/03/65/849790365.db2.gz USFIEMICPDFBNE-RRFJBIMHSA-N 2 0 353.467 -0.654 20 0 FBADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)NCC(=O)N3CC[NH2+]CC3)C2)C1 ZINC001329676017 849790083 /nfs/dbraw/zinc/79/00/83/849790083.db2.gz USFIEMICPDFBNE-ZNMIVQPWSA-N 2 0 353.467 -0.654 20 0 FBADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](CC(=O)NCC(=O)N3CCCC3)C2)C1 ZINC001329677822 849790946 /nfs/dbraw/zinc/79/09/46/849790946.db2.gz CFOOFZTYIZMSHG-ARFHVFGLSA-N 2 0 352.479 -0.057 20 0 FBADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](CC(=O)NCC(=O)N3CCCC3)C2)C1 ZINC001329677823 849791294 /nfs/dbraw/zinc/79/12/94/849791294.db2.gz CFOOFZTYIZMSHG-BZUAXINKSA-N 2 0 352.479 -0.057 20 0 FBADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](CC(=O)NCC(=O)N3CCCC3)C2)C1 ZINC001329677824 849791257 /nfs/dbraw/zinc/79/12/57/849791257.db2.gz CFOOFZTYIZMSHG-OAGGEKHMSA-N 2 0 352.479 -0.057 20 0 FBADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](CC(=O)NCC(=O)N3CCCC3)C2)C1 ZINC001329677825 849791402 /nfs/dbraw/zinc/79/14/02/849791402.db2.gz CFOOFZTYIZMSHG-XHSDSOJGSA-N 2 0 352.479 -0.057 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCO[C@@H](C(F)F)C1 ZINC001329719288 849802629 /nfs/dbraw/zinc/80/26/29/849802629.db2.gz PJEOZHWCGDBOIG-GFCCVEGCSA-N 2 0 350.410 -0.569 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCO[C@H](C(F)F)C1 ZINC001329719291 849802582 /nfs/dbraw/zinc/80/25/82/849802582.db2.gz PJEOZHWCGDBOIG-LBPRGKRZSA-N 2 0 350.410 -0.569 20 0 FBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@@H](CC[NH3+])C(F)(F)F)cn1 ZINC001329725148 849803526 /nfs/dbraw/zinc/80/35/26/849803526.db2.gz HEHURORXWAYCDR-JTQLQIEISA-N 2 0 350.345 -0.221 20 0 FBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@H](CC[NH3+])C(F)(F)F)cn1 ZINC001329725150 849804103 /nfs/dbraw/zinc/80/41/03/849804103.db2.gz HEHURORXWAYCDR-SNVBAGLBSA-N 2 0 350.345 -0.221 20 0 FBADRP CN1CC[NH+](CCCCNC(=O)C(=O)NCCC2CC[NH2+]CC2)CC1 ZINC001329725391 849803796 /nfs/dbraw/zinc/80/37/96/849803796.db2.gz PFQAHHIGGXYCKJ-UHFFFAOYSA-N 2 0 353.511 -0.364 20 0 FBADRP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)CC1 ZINC001329728606 849805797 /nfs/dbraw/zinc/80/57/97/849805797.db2.gz WGHSLWUOCRYNOL-AWEZNQCLSA-N 2 0 352.479 -0.020 20 0 FBADRP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)CC1 ZINC001329728607 849805863 /nfs/dbraw/zinc/80/58/63/849805863.db2.gz WGHSLWUOCRYNOL-CQSZACIVSA-N 2 0 352.479 -0.020 20 0 FBADRP CS(=O)(=O)N1CCC(NC(=O)C[N@@H+]2CCC3(C2)CC[NH2+]CC3)CC1 ZINC001329754374 849811816 /nfs/dbraw/zinc/81/18/16/849811816.db2.gz KDALYPYKZJBGPU-UHFFFAOYSA-N 2 0 358.508 -0.398 20 0 FBADRP C[NH+]1CCN(CCCS(=O)(=O)N2CCC(OCCC[NH3+])CC2)CC1 ZINC001329754375 849811144 /nfs/dbraw/zinc/81/11/44/849811144.db2.gz KDQDKEFNYPRGKL-UHFFFAOYSA-N 2 0 362.540 -0.217 20 0 FBADRP C[NH+]1CCN(c2ccccc2CNS(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC001329756317 849812633 /nfs/dbraw/zinc/81/26/33/849812633.db2.gz ZYBNPBRUGCIPEN-INIZCTEOSA-N 2 0 368.503 -0.154 20 0 FBADRP C[NH+]1CCN(c2ccccc2CNS(=O)(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC001329756319 849812676 /nfs/dbraw/zinc/81/26/76/849812676.db2.gz ZYBNPBRUGCIPEN-MRXNPFEDSA-N 2 0 368.503 -0.154 20 0 FBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)C1 ZINC001329784684 849819107 /nfs/dbraw/zinc/81/91/07/849819107.db2.gz OSQGOBHTWNALKH-IMJJTQAJSA-N 2 0 352.479 -0.500 20 0 FBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C1 ZINC001329784686 849819131 /nfs/dbraw/zinc/81/91/31/849819131.db2.gz OSQGOBHTWNALKH-VNQPRFMTSA-N 2 0 352.479 -0.500 20 0 FBADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)CCNC(=O)[C@H]3CCC[NH2+]3)C2)C1 ZINC001329784983 849820619 /nfs/dbraw/zinc/82/06/19/849820619.db2.gz GZDQLGGYTLDNQF-FPCVCCKLSA-N 2 0 352.479 -0.010 20 0 FBADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)CCNC(=O)[C@@H]3CCC[NH2+]3)C2)C1 ZINC001329784984 849820101 /nfs/dbraw/zinc/82/01/01/849820101.db2.gz GZDQLGGYTLDNQF-FZKCQIBNSA-N 2 0 352.479 -0.010 20 0 FBADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)CCNC(=O)[C@H]3CCC[NH2+]3)C2)C1 ZINC001329784985 849820277 /nfs/dbraw/zinc/82/02/77/849820277.db2.gz GZDQLGGYTLDNQF-JJXSEGSLSA-N 2 0 352.479 -0.010 20 0 FBADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)CCNC(=O)[C@@H]3CCC[NH2+]3)C2)C1 ZINC001329784986 849820252 /nfs/dbraw/zinc/82/02/52/849820252.db2.gz GZDQLGGYTLDNQF-WCVJEAGWSA-N 2 0 352.479 -0.010 20 0 FBADRP C[NH+](C)C[C@H](O)CNC(=O)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC001329805910 849824497 /nfs/dbraw/zinc/82/44/97/849824497.db2.gz HCBVUDVPJXRWFD-CABCVRRESA-N 2 0 350.419 -0.675 20 0 FBADRP C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC001329805914 849824978 /nfs/dbraw/zinc/82/49/78/849824978.db2.gz HCBVUDVPJXRWFD-GJZGRUSLSA-N 2 0 350.419 -0.675 20 0 FBADRP C[NH+](C)C[C@H](O)CNC(=O)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC001329805918 849824390 /nfs/dbraw/zinc/82/43/90/849824390.db2.gz HCBVUDVPJXRWFD-HUUCEWRRSA-N 2 0 350.419 -0.675 20 0 FBADRP C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC001329805922 849824462 /nfs/dbraw/zinc/82/44/62/849824462.db2.gz HCBVUDVPJXRWFD-LSDHHAIUSA-N 2 0 350.419 -0.675 20 0 FBADRP CC(C)[NH+]1CCC(O)(CNC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC001329822344 849830157 /nfs/dbraw/zinc/83/01/57/849830157.db2.gz AYAVOUTWFRNRQP-UHFFFAOYSA-N 2 0 352.439 -0.325 20 0 FBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)n1 ZINC001329822364 849829579 /nfs/dbraw/zinc/82/95/79/849829579.db2.gz BCLDMPPGHCVRRX-GFCCVEGCSA-N 2 0 350.423 -0.495 20 0 FBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)n1 ZINC001329822367 849829615 /nfs/dbraw/zinc/82/96/15/849829615.db2.gz BCLDMPPGHCVRRX-LBPRGKRZSA-N 2 0 350.423 -0.495 20 0 FBADRP C[NH+](C)CCN1CCC(NC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC001329823405 849829632 /nfs/dbraw/zinc/82/96/32/849829632.db2.gz MJILNGMYKJXZRU-UHFFFAOYSA-N 2 0 351.455 -0.534 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCC(C)(O)CC2)C[C@H]1C[NH+](C)C ZINC001329830722 849832181 /nfs/dbraw/zinc/83/21/81/849832181.db2.gz OZLNERICANQAKS-HUUCEWRRSA-N 2 0 354.495 -0.442 20 0 FBADRP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC001329855455 849840750 /nfs/dbraw/zinc/84/07/50/849840750.db2.gz JQQXBTKCZXRDMD-UHFFFAOYSA-N 2 0 350.423 -0.943 20 0 FBADRP [NH3+]CC[C@H]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC001329857210 849840973 /nfs/dbraw/zinc/84/09/73/849840973.db2.gz SQFVCZRBFGYMMS-GDBMZVCRSA-N 2 0 352.479 -0.057 20 0 FBADRP [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC001329857211 849841141 /nfs/dbraw/zinc/84/11/41/849841141.db2.gz SQFVCZRBFGYMMS-GOEBONIOSA-N 2 0 352.479 -0.057 20 0 FBADRP [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC001329857212 849841111 /nfs/dbraw/zinc/84/11/11/849841111.db2.gz SQFVCZRBFGYMMS-HOCLYGCPSA-N 2 0 352.479 -0.057 20 0 FBADRP [NH3+]CC[C@H]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC001329857213 849840598 /nfs/dbraw/zinc/84/05/98/849840598.db2.gz SQFVCZRBFGYMMS-ZBFHGGJFSA-N 2 0 352.479 -0.057 20 0 FBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)CCO1 ZINC001329954004 849862706 /nfs/dbraw/zinc/86/27/06/849862706.db2.gz YPXJQTAGIJMAAL-AWEZNQCLSA-N 2 0 361.508 -0.278 20 0 FBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)CCO1 ZINC001329954005 849862692 /nfs/dbraw/zinc/86/26/92/849862692.db2.gz YPXJQTAGIJMAAL-CQSZACIVSA-N 2 0 361.508 -0.278 20 0 FBADRP CN1CC[NH+](CCCCNC(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC001329993205 849868946 /nfs/dbraw/zinc/86/89/46/849868946.db2.gz UCTCWVDMZKWVOS-IYBDPMFKSA-N 2 0 353.511 -0.413 20 0 FBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NC2(C[NH3+])CCOCC2)CC1 ZINC001330003049 849869885 /nfs/dbraw/zinc/86/98/85/849869885.db2.gz IJAILJVEMCNDCY-UHFFFAOYSA-N 2 0 355.483 -0.264 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCO[C@](C)(C(F)F)C1 ZINC001330006417 849871232 /nfs/dbraw/zinc/87/12/32/849871232.db2.gz YYMAHKWQUQPSSZ-INIZCTEOSA-N 2 0 364.437 -0.179 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCO[C@@](C)(C(F)F)C1 ZINC001330006418 849871557 /nfs/dbraw/zinc/87/15/57/849871557.db2.gz YYMAHKWQUQPSSZ-MRXNPFEDSA-N 2 0 364.437 -0.179 20 0 FBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC001330059651 849880243 /nfs/dbraw/zinc/88/02/43/849880243.db2.gz OCCAGDPPXVCGEM-DOTOQJQBSA-N 2 0 353.511 -0.137 20 0 FBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC001330059652 849880163 /nfs/dbraw/zinc/88/01/63/849880163.db2.gz OCCAGDPPXVCGEM-NVXWUHKLSA-N 2 0 353.511 -0.137 20 0 FBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC001330059653 849880117 /nfs/dbraw/zinc/88/01/17/849880117.db2.gz OCCAGDPPXVCGEM-RDJZCZTQSA-N 2 0 353.511 -0.137 20 0 FBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC001330059654 849880464 /nfs/dbraw/zinc/88/04/64/849880464.db2.gz OCCAGDPPXVCGEM-WBVHZDCISA-N 2 0 353.511 -0.137 20 0 FBADRP Cn1ccnc1CNC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001330131300 849891579 /nfs/dbraw/zinc/89/15/79/849891579.db2.gz WWEVQBPJYOKMNO-ZIAGYGMSSA-N 2 0 350.467 -0.766 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3COC[C@@H]3C2)C[C@H]1C[NH+](C)C ZINC001330158059 849899754 /nfs/dbraw/zinc/89/97/54/849899754.db2.gz RGVQOXSDSWYRIU-FPCVCCKLSA-N 2 0 352.479 -0.711 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NCCOC(F)(F)F)C[C@H]1C[NH+](C)C ZINC001330163350 849900546 /nfs/dbraw/zinc/90/05/46/849900546.db2.gz LQADAAJULAFYPJ-VXGBXAGGSA-N 2 0 368.400 -0.163 20 0 FBADRP C[NH+](C)C[C@@H]1CN(c2ccc(C(=O)NCCO)nn2)C[C@H]1C[NH+](C)C ZINC001330338258 849924134 /nfs/dbraw/zinc/92/41/34/849924134.db2.gz MHBAUFHPBORDPX-ZIAGYGMSSA-N 2 0 350.467 -0.626 20 0 FBADRP C[C@@H](CNS(=O)(=O)CCCN1CC[NH+](C)CC1)N1CC[NH+](C)CC1 ZINC001330362176 849928646 /nfs/dbraw/zinc/92/86/46/849928646.db2.gz AVBDKOGPTCXZAT-INIZCTEOSA-N 2 0 361.556 -0.821 20 0 FBADRP C[C@H](CNS(=O)(=O)CCCN1CC[NH+](C)CC1)N1CC[NH+](C)CC1 ZINC001330362183 849929075 /nfs/dbraw/zinc/92/90/75/849929075.db2.gz AVBDKOGPTCXZAT-MRXNPFEDSA-N 2 0 361.556 -0.821 20 0 FBADRP C[NH+]1CCN(CCCS(=O)(=O)N2CC[C@H](N3CCC([NH3+])CC3)C2)CC1 ZINC001330364624 849930096 /nfs/dbraw/zinc/93/00/96/849930096.db2.gz KRFOXJMYDAHSBA-KRWDZBQOSA-N 2 0 373.567 -0.549 20 0 FBADRP C[NH+]1CCN(CCCS(=O)(=O)N2CC[C@@H](N3CCC([NH3+])CC3)C2)CC1 ZINC001330364697 849929824 /nfs/dbraw/zinc/92/98/24/849929824.db2.gz KRFOXJMYDAHSBA-QGZVFWFLSA-N 2 0 373.567 -0.549 20 0 FBADRP CN(CC(=O)N1CCCC1)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC001330370958 849931303 /nfs/dbraw/zinc/93/13/03/849931303.db2.gz ALIIIHPYEBKNRZ-UHFFFAOYSA-N 2 0 355.483 -0.981 20 0 FBADRP COC(=O)C1=CC[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC001330384150 849933026 /nfs/dbraw/zinc/93/30/26/849933026.db2.gz FMWZJOYOWYDQJG-AWEZNQCLSA-N 2 0 354.451 -0.684 20 0 FBADRP COC(=O)C1=CC[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC001330384151 849932972 /nfs/dbraw/zinc/93/29/72/849932972.db2.gz FMWZJOYOWYDQJG-CQSZACIVSA-N 2 0 354.451 -0.684 20 0 FBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)CCO1 ZINC001330427930 849943305 /nfs/dbraw/zinc/94/33/05/849943305.db2.gz YJBUVDPPJCJRLD-CVEARBPZSA-N 2 0 354.495 -0.034 20 0 FBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)CCO1 ZINC001330427931 849942990 /nfs/dbraw/zinc/94/29/90/849942990.db2.gz YJBUVDPPJCJRLD-HOTGVXAUSA-N 2 0 354.495 -0.034 20 0 FBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)CCO1 ZINC001330427932 849943052 /nfs/dbraw/zinc/94/30/52/849943052.db2.gz YJBUVDPPJCJRLD-HZPDHXFCSA-N 2 0 354.495 -0.034 20 0 FBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)CCO1 ZINC001330427933 849942789 /nfs/dbraw/zinc/94/27/89/849942789.db2.gz YJBUVDPPJCJRLD-JKSUJKDBSA-N 2 0 354.495 -0.034 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC(C(C)(C)O)C2)C[C@H]1C[NH+](C)C ZINC001330476202 849952887 /nfs/dbraw/zinc/95/28/87/849952887.db2.gz DJFAMOUMBXIPNW-ZIAGYGMSSA-N 2 0 354.495 -0.587 20 0 FBADRP CN(Cc1c[nH]cn1)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001330511206 849960238 /nfs/dbraw/zinc/96/02/38/849960238.db2.gz DRWSYFFOOVJMQK-ZIAGYGMSSA-N 2 0 350.467 -0.434 20 0 FBADRP C[NH+](C)CCOC1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC001330519624 849962042 /nfs/dbraw/zinc/96/20/42/849962042.db2.gz LXCLDINWNVEWTC-UHFFFAOYSA-N 2 0 352.439 -0.107 20 0 FBADRP C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC001330521214 849961904 /nfs/dbraw/zinc/96/19/04/849961904.db2.gz SWCVSRXOXWOMOQ-LLVKDONJSA-N 2 0 350.423 -0.895 20 0 FBADRP C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC001330521216 849962207 /nfs/dbraw/zinc/96/22/07/849962207.db2.gz SWCVSRXOXWOMOQ-NSHDSACASA-N 2 0 350.423 -0.895 20 0 FBADRP C[C@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)C[NH+]1CCCC1 ZINC001330526024 849962798 /nfs/dbraw/zinc/96/27/98/849962798.db2.gz NTEMQKSPOHWPFL-LLVKDONJSA-N 2 0 350.423 -0.895 20 0 FBADRP C[C@@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)C[NH+]1CCCC1 ZINC001330526026 849963105 /nfs/dbraw/zinc/96/31/05/849963105.db2.gz NTEMQKSPOHWPFL-NSHDSACASA-N 2 0 350.423 -0.895 20 0 FBADRP C[C@H]([NH3+])C1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC001330542594 849966720 /nfs/dbraw/zinc/96/67/20/849966720.db2.gz ATANFYXVDJTUTI-BBRMVZONSA-N 2 0 352.479 -0.058 20 0 FBADRP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC001330542596 849967227 /nfs/dbraw/zinc/96/72/27/849967227.db2.gz ATANFYXVDJTUTI-CJNGLKHVSA-N 2 0 352.479 -0.058 20 0 FBADRP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC001330542598 849967158 /nfs/dbraw/zinc/96/71/58/849967158.db2.gz ATANFYXVDJTUTI-CZUORRHYSA-N 2 0 352.479 -0.058 20 0 FBADRP C[C@H]([NH3+])C1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC001330542600 849966943 /nfs/dbraw/zinc/96/69/43/849966943.db2.gz ATANFYXVDJTUTI-XJKSGUPXSA-N 2 0 352.479 -0.058 20 0 FBADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC001330543014 849967023 /nfs/dbraw/zinc/96/70/23/849967023.db2.gz DYTVNKOOZUYJLK-LLVKDONJSA-N 2 0 350.423 -0.943 20 0 FBADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC001330543015 849967260 /nfs/dbraw/zinc/96/72/60/849967260.db2.gz DYTVNKOOZUYJLK-NSHDSACASA-N 2 0 350.423 -0.943 20 0 FBADRP CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001330566667 849970053 /nfs/dbraw/zinc/97/00/53/849970053.db2.gz AOMGJWNYYLMZCW-UHFFFAOYSA-N 2 0 353.511 -0.332 20 0 FBADRP CN1CCN(C(=O)c2nnn(C3CC[NH2+]CC3)c2C(F)F)[C@H](C[NH3+])C1 ZINC001330609046 849976156 /nfs/dbraw/zinc/97/61/56/849976156.db2.gz CWXIAWCMZXPRJX-LLVKDONJSA-N 2 0 357.409 -0.145 20 0 FBADRP CN1CCN(C(=O)c2nnn(C3CC[NH2+]CC3)c2C(F)F)[C@@H](C[NH3+])C1 ZINC001330609047 849975981 /nfs/dbraw/zinc/97/59/81/849975981.db2.gz CWXIAWCMZXPRJX-NSHDSACASA-N 2 0 357.409 -0.145 20 0 FBADRP C[S@@](=O)C1(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC[NH2+]CC1 ZINC001330615699 849975799 /nfs/dbraw/zinc/97/57/99/849975799.db2.gz PPBCQPDSFKBRTO-APXPCNQMSA-N 2 0 370.441 -0.561 20 0 FBADRP C[S@](=O)C1(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC[NH2+]CC1 ZINC001330615701 849976255 /nfs/dbraw/zinc/97/62/55/849976255.db2.gz PPBCQPDSFKBRTO-BUBHHJDNSA-N 2 0 370.441 -0.561 20 0 FBADRP C[S@](=O)C1(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC[NH2+]CC1 ZINC001330615703 849976375 /nfs/dbraw/zinc/97/63/75/849976375.db2.gz PPBCQPDSFKBRTO-JNDILOIQSA-N 2 0 370.441 -0.561 20 0 FBADRP C[S@@](=O)C1(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC[NH2+]CC1 ZINC001330615705 849976327 /nfs/dbraw/zinc/97/63/27/849976327.db2.gz PPBCQPDSFKBRTO-YDGUKXNOSA-N 2 0 370.441 -0.561 20 0 FBADRP C[NH+](C)CCNC(=O)C1CC[NH+](C[C@@H](O)CC2(O)CCOCC2)CC1 ZINC001330637090 849978665 /nfs/dbraw/zinc/97/86/65/849978665.db2.gz HKWZWVIEVHQFJX-INIZCTEOSA-N 2 0 357.495 -0.331 20 0 FBADRP C[NH+](C)CCNC(=O)C1CC[NH+](C[C@H](O)CC2(O)CCOCC2)CC1 ZINC001330637094 849978180 /nfs/dbraw/zinc/97/81/80/849978180.db2.gz HKWZWVIEVHQFJX-MRXNPFEDSA-N 2 0 357.495 -0.331 20 0 FBADRP COC(=O)Cn1cc(CC[NH+]2CCC(N3CC[NH+](C)CC3)CC2)nn1 ZINC001330695051 849987945 /nfs/dbraw/zinc/98/79/45/849987945.db2.gz LHVINQZGVNQWAP-UHFFFAOYSA-N 2 0 350.467 -0.295 20 0 FBADRP CO[C@H](CNC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)C(C)C ZINC001330710456 849989986 /nfs/dbraw/zinc/98/99/86/849989986.db2.gz CKPOMIYAKFYYGT-BZUAXINKSA-N 2 0 356.511 -0.029 20 0 FBADRP CO[C@@H](CNC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)C(C)C ZINC001330710457 849990013 /nfs/dbraw/zinc/99/00/13/849990013.db2.gz CKPOMIYAKFYYGT-OAGGEKHMSA-N 2 0 356.511 -0.029 20 0 FBADRP CO[C@H]1CC[C@@H](NC(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC001330739311 849994175 /nfs/dbraw/zinc/99/41/75/849994175.db2.gz BRAFSSOMQBSGGM-FPCVCCKLSA-N 2 0 354.495 -0.132 20 0 FBADRP CO[C@@H]1CC[C@@H](NC(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC001330739312 849993928 /nfs/dbraw/zinc/99/39/28/849993928.db2.gz BRAFSSOMQBSGGM-KLHDSHLOSA-N 2 0 354.495 -0.132 20 0 FBADRP CO[C@@H]1CC[C@H](NC(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC001330739313 849994162 /nfs/dbraw/zinc/99/41/62/849994162.db2.gz BRAFSSOMQBSGGM-LVQVYYBASA-N 2 0 354.495 -0.132 20 0 FBADRP CO[C@H]1CC[C@H](NC(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC001330739314 849993655 /nfs/dbraw/zinc/99/36/55/849993655.db2.gz BRAFSSOMQBSGGM-WCVJEAGWSA-N 2 0 354.495 -0.132 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H](C(C)(C)O)C1 ZINC001330747927 849994773 /nfs/dbraw/zinc/99/47/73/849994773.db2.gz TUHYFKRBYLMHSD-HNNXBMFYSA-N 2 0 356.511 -0.052 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H](C(C)(C)O)C1 ZINC001330747929 849995001 /nfs/dbraw/zinc/99/50/01/849995001.db2.gz TUHYFKRBYLMHSD-OAHLLOKOSA-N 2 0 356.511 -0.052 20 0 FBADRP COCC[C@H]([NH3+])C(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC001330877203 850011469 /nfs/dbraw/zinc/01/14/69/850011469.db2.gz SCBZBSYGVPJFJN-KBPBESRZSA-N 2 0 350.467 -0.111 20 0 FBADRP COCC[C@H]([NH3+])C(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC001330877204 850011657 /nfs/dbraw/zinc/01/16/57/850011657.db2.gz SCBZBSYGVPJFJN-KGLIPLIRSA-N 2 0 350.467 -0.111 20 0 FBADRP COCC[C@@H]([NH3+])C(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC001330877205 850011940 /nfs/dbraw/zinc/01/19/40/850011940.db2.gz SCBZBSYGVPJFJN-UONOGXRCSA-N 2 0 350.467 -0.111 20 0 FBADRP COCC[C@@H]([NH3+])C(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC001330877206 850011546 /nfs/dbraw/zinc/01/15/46/850011546.db2.gz SCBZBSYGVPJFJN-ZIAGYGMSSA-N 2 0 350.467 -0.111 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](C)CC2)C[C@H]1C[NH+](C)C ZINC001330959154 850020256 /nfs/dbraw/zinc/02/02/56/850020256.db2.gz MTDJTNUJAZYBNU-HUUCEWRRSA-N 3 0 353.511 -0.605 20 0 FBADRP O=C(C[C@H]1CSCC[NH2+]1)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001330971482 850021622 /nfs/dbraw/zinc/02/16/22/850021622.db2.gz SYQDRVVIOQNDKE-CVEARBPZSA-N 2 0 356.536 -0.006 20 0 FBADRP O=C(C[C@H]1CSCC[NH2+]1)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001330971483 850021759 /nfs/dbraw/zinc/02/17/59/850021759.db2.gz SYQDRVVIOQNDKE-HOTGVXAUSA-N 2 0 356.536 -0.006 20 0 FBADRP O=C(C[C@@H]1CSCC[NH2+]1)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001330971484 850021247 /nfs/dbraw/zinc/02/12/47/850021247.db2.gz SYQDRVVIOQNDKE-HZPDHXFCSA-N 2 0 356.536 -0.006 20 0 FBADRP O=C(C[C@@H]1CSCC[NH2+]1)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001330971485 850021706 /nfs/dbraw/zinc/02/17/06/850021706.db2.gz SYQDRVVIOQNDKE-JKSUJKDBSA-N 2 0 356.536 -0.006 20 0 FBADRP Cn1ncc(C[NH3+])c1C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001330971651 850021731 /nfs/dbraw/zinc/02/17/31/850021731.db2.gz VLDDWZRFUARXOW-HNNXBMFYSA-N 2 0 350.467 -0.595 20 0 FBADRP Cn1ncc(C[NH3+])c1C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001330971654 850021538 /nfs/dbraw/zinc/02/15/38/850021538.db2.gz VLDDWZRFUARXOW-OAHLLOKOSA-N 2 0 350.467 -0.595 20 0 FBADRP COC1(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CC[NH2+]CC1 ZINC001330989999 850023533 /nfs/dbraw/zinc/02/35/33/850023533.db2.gz OEKSZDUAEVDNCL-INIZCTEOSA-N 2 0 354.495 -0.332 20 0 FBADRP COC1(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)CC[NH2+]CC1 ZINC001330990000 850023383 /nfs/dbraw/zinc/02/33/83/850023383.db2.gz OEKSZDUAEVDNCL-MRXNPFEDSA-N 2 0 354.495 -0.332 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CCC([NH+](C)CCNS(C)(=O)=O)CC2)CC[N@@H+]1C ZINC001331029125 850027752 /nfs/dbraw/zinc/02/77/52/850027752.db2.gz NLVLLKBNUIJAIR-UKRRQHHQSA-N 2 0 360.524 -0.201 20 0 FBADRP C[NH+](C)CCN1CCC(CNC(=O)C2([S@](C)=O)CC[NH2+]CC2)CC1 ZINC001331041087 850029348 /nfs/dbraw/zinc/02/93/48/850029348.db2.gz IAWXKTXWKMVDMX-DEOSSOPVSA-N 2 0 358.552 -0.123 20 0 FBADRP C[NH+](C)CCN1CCC(CNC(=O)C2([S@@](C)=O)CC[NH2+]CC2)CC1 ZINC001331041136 850029404 /nfs/dbraw/zinc/02/94/04/850029404.db2.gz IAWXKTXWKMVDMX-XMMPIXPASA-N 2 0 358.552 -0.123 20 0 FBADRP COC(=O)C1CC[NH+](CCCNC(=O)C2([S@@](C)=O)CC[NH2+]CC2)CC1 ZINC001331043877 850029642 /nfs/dbraw/zinc/02/96/42/850029642.db2.gz XWNDBMQXHQHDLC-RUZDIDTESA-N 2 0 373.519 -0.122 20 0 FBADRP COC(=O)C1CC[NH+](CCCNC(=O)C2([S@](C)=O)CC[NH2+]CC2)CC1 ZINC001331043879 850029423 /nfs/dbraw/zinc/02/94/23/850029423.db2.gz XWNDBMQXHQHDLC-VWLOTQADSA-N 2 0 373.519 -0.122 20 0 FBADRP CS(=O)(=O)C1(C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)CC[NH2+]CC1 ZINC001331066127 850032696 /nfs/dbraw/zinc/03/26/96/850032696.db2.gz GXENDHXGHSNKLV-NXEZZACHSA-N 2 0 357.398 -0.251 20 0 FBADRP CS(=O)(=O)C1(C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC[NH2+]CC1 ZINC001331066128 850032774 /nfs/dbraw/zinc/03/27/74/850032774.db2.gz GXENDHXGHSNKLV-UWVGGRQHSA-N 2 0 357.398 -0.251 20 0 FBADRP CS(=O)(=O)C1(C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)CC[NH2+]CC1 ZINC001331066129 850032589 /nfs/dbraw/zinc/03/25/89/850032589.db2.gz GXENDHXGHSNKLV-VHSXEESVSA-N 2 0 357.398 -0.251 20 0 FBADRP CS(=O)(=O)C1(C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)CC[NH2+]CC1 ZINC001331066130 850032514 /nfs/dbraw/zinc/03/25/14/850032514.db2.gz GXENDHXGHSNKLV-ZJUUUORDSA-N 2 0 357.398 -0.251 20 0 FBADRP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CCC(C(=O)NCCO)CC2)CC1 ZINC001331112891 850038937 /nfs/dbraw/zinc/03/89/37/850038937.db2.gz XYXSDDRPYSBPDC-UHFFFAOYSA-N 2 0 354.495 -0.204 20 0 FBADRP C[C@@H]1[C@H](C(=O)NCCOCC[NH+](C)[C@H]2CCC(=O)NC2=O)CC[N@@H+]1C ZINC001331122832 850040981 /nfs/dbraw/zinc/04/09/81/850040981.db2.gz LWRLOOKRSPNUAT-MCIONIFRSA-N 2 0 354.451 -0.804 20 0 FBADRP C[C@@H]1[C@H](C(=O)NCCOCC[NH+](C)[C@@H]2CCC(=O)NC2=O)CC[N@@H+]1C ZINC001331122833 850040751 /nfs/dbraw/zinc/04/07/51/850040751.db2.gz LWRLOOKRSPNUAT-MGPQQGTHSA-N 2 0 354.451 -0.804 20 0 FBADRP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC001331141844 850044016 /nfs/dbraw/zinc/04/40/16/850044016.db2.gz ZQKYQBSVVCGZPY-DZGCQCFKSA-N 2 0 350.463 -0.386 20 0 FBADRP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001331141845 850044040 /nfs/dbraw/zinc/04/40/40/850044040.db2.gz ZQKYQBSVVCGZPY-HIFRSBDPSA-N 2 0 350.463 -0.386 20 0 FBADRP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001331141846 850044087 /nfs/dbraw/zinc/04/40/87/850044087.db2.gz ZQKYQBSVVCGZPY-UKRRQHHQSA-N 2 0 350.463 -0.386 20 0 FBADRP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC001331141847 850044111 /nfs/dbraw/zinc/04/41/11/850044111.db2.gz ZQKYQBSVVCGZPY-ZFWWWQNUSA-N 2 0 350.463 -0.386 20 0 FBADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC001331150571 850044700 /nfs/dbraw/zinc/04/47/00/850044700.db2.gz SZCDNEUHMMZUTN-CVEARBPZSA-N 2 0 353.511 -0.094 20 0 FBADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC001331150573 850044422 /nfs/dbraw/zinc/04/44/22/850044422.db2.gz SZCDNEUHMMZUTN-HOTGVXAUSA-N 2 0 353.511 -0.094 20 0 FBADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC001331150575 850044927 /nfs/dbraw/zinc/04/49/27/850044927.db2.gz SZCDNEUHMMZUTN-HZPDHXFCSA-N 2 0 353.511 -0.094 20 0 FBADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC001331150577 850044476 /nfs/dbraw/zinc/04/44/76/850044476.db2.gz SZCDNEUHMMZUTN-JKSUJKDBSA-N 2 0 353.511 -0.094 20 0 FBADRP OCC1(CO)CC[NH+](CCOCC[NH+]2CCC(CO)(CO)CC2)CC1 ZINC001331180525 850048535 /nfs/dbraw/zinc/04/85/35/850048535.db2.gz QZACMGARAHZIQY-UHFFFAOYSA-N 2 0 360.495 -0.863 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)C[C@H]1C[NH+](C)C ZINC001331191681 850049511 /nfs/dbraw/zinc/04/95/11/850049511.db2.gz KKGSCHCECIXSJT-FPCVCCKLSA-N 3 0 353.511 -0.572 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])C2)C[C@H]1C[NH+](C)C ZINC001331191683 850049329 /nfs/dbraw/zinc/04/93/29/850049329.db2.gz KKGSCHCECIXSJT-JJXSEGSLSA-N 3 0 353.511 -0.572 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)C[C@H]1C[NH+](C)C ZINC001331191685 850049412 /nfs/dbraw/zinc/04/94/12/850049412.db2.gz KKGSCHCECIXSJT-KLHDSHLOSA-N 3 0 353.511 -0.572 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)C[C@H]1C[NH+](C)C ZINC001331191686 850049545 /nfs/dbraw/zinc/04/95/45/850049545.db2.gz KKGSCHCECIXSJT-ZJIFWQFVSA-N 3 0 353.511 -0.572 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NCC2=CC[NH2+]CC2)C[C@H]1C[NH+](C)C ZINC001331193414 850049660 /nfs/dbraw/zinc/04/96/60/850049660.db2.gz VEVWVEOGORKKBY-HZPDHXFCSA-N 3 0 351.495 -0.780 20 0 FBADRP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1 ZINC001331195017 850049606 /nfs/dbraw/zinc/04/96/06/850049606.db2.gz FIVLWURDGNVEAI-SHTZXODSSA-N 2 0 352.479 -0.057 20 0 FBADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC001331205942 850051620 /nfs/dbraw/zinc/05/16/20/850051620.db2.gz ZAEFYKXBUDCONG-BZUAXINKSA-N 2 0 350.463 -0.291 20 0 FBADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC001331205943 850051945 /nfs/dbraw/zinc/05/19/45/850051945.db2.gz ZAEFYKXBUDCONG-OAGGEKHMSA-N 2 0 350.463 -0.291 20 0 FBADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC001331205944 850051248 /nfs/dbraw/zinc/05/12/48/850051248.db2.gz ZAEFYKXBUDCONG-OWCLPIDISA-N 2 0 350.463 -0.291 20 0 FBADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC001331205945 850051602 /nfs/dbraw/zinc/05/16/02/850051602.db2.gz ZAEFYKXBUDCONG-PMPSAXMXSA-N 2 0 350.463 -0.291 20 0 FBADRP C[C@@H]1COCC[C@@H]1NC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001331310476 850063243 /nfs/dbraw/zinc/06/32/43/850063243.db2.gz DACPKLYPULZCOM-FPCVCCKLSA-N 2 0 354.495 -0.275 20 0 FBADRP C[C@H]1COCC[C@@H]1NC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001331310477 850063966 /nfs/dbraw/zinc/06/39/66/850063966.db2.gz DACPKLYPULZCOM-JJXSEGSLSA-N 2 0 354.495 -0.275 20 0 FBADRP C[C@@H]1COCC[C@H]1NC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001331310478 850063733 /nfs/dbraw/zinc/06/37/33/850063733.db2.gz DACPKLYPULZCOM-KLHDSHLOSA-N 2 0 354.495 -0.275 20 0 FBADRP C[C@H]1COCC[C@H]1NC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001331310479 850063578 /nfs/dbraw/zinc/06/35/78/850063578.db2.gz DACPKLYPULZCOM-ZJIFWQFVSA-N 2 0 354.495 -0.275 20 0 FBADRP COCC[C@H]([NH3+])C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC001331322744 850065996 /nfs/dbraw/zinc/06/59/96/850065996.db2.gz SAMFNHYRYDIVHS-HNNXBMFYSA-N 2 0 350.467 -0.141 20 0 FBADRP COCC[C@@H]([NH3+])C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC001331322745 850065856 /nfs/dbraw/zinc/06/58/56/850065856.db2.gz SAMFNHYRYDIVHS-OAHLLOKOSA-N 2 0 350.467 -0.141 20 0 FBADRP O=C(COC1CC[NH2+]CC1)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001331426736 850075893 /nfs/dbraw/zinc/07/58/93/850075893.db2.gz OVWQPISJKBOMJJ-INIZCTEOSA-N 2 0 354.495 -0.332 20 0 FBADRP O=C(COC1CC[NH2+]CC1)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001331426739 850075667 /nfs/dbraw/zinc/07/56/67/850075667.db2.gz OVWQPISJKBOMJJ-MRXNPFEDSA-N 2 0 354.495 -0.332 20 0 FBADRP CCO[C@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC001331429687 850077006 /nfs/dbraw/zinc/07/70/06/850077006.db2.gz FQCDEKNYJOPMSK-FPCVCCKLSA-N 2 0 354.495 -0.132 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[C@H](O)CC2)C[C@H]1C[NH+](C)C ZINC001331445399 850077944 /nfs/dbraw/zinc/07/79/44/850077944.db2.gz UMXKVNNRYJQKOE-KLHDSHLOSA-N 2 0 354.495 -0.396 20 0 FBADRP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCCN1C(=O)CNC1=O ZINC001331453803 850078015 /nfs/dbraw/zinc/07/80/15/850078015.db2.gz ASORRLLDRDWDRJ-BFHYXJOUSA-N 2 0 353.467 -0.295 20 0 FBADRP C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCCN1C(=O)CNC1=O ZINC001331453804 850078090 /nfs/dbraw/zinc/07/80/90/850078090.db2.gz ASORRLLDRDWDRJ-MGPQQGTHSA-N 2 0 353.467 -0.295 20 0 FBADRP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001331455480 850077747 /nfs/dbraw/zinc/07/77/47/850077747.db2.gz NNIYDSNEDHWSKJ-OUCADQQQSA-N 2 0 353.467 -0.249 20 0 FBADRP C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001331455482 850078146 /nfs/dbraw/zinc/07/81/46/850078146.db2.gz NNIYDSNEDHWSKJ-YRGRVCCFSA-N 2 0 353.467 -0.249 20 0 FBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)NCC[N@@H+]2CC[C@H](O)C2)CC1 ZINC001331567956 850088826 /nfs/dbraw/zinc/08/88/26/850088826.db2.gz FXAIDAQTFKMAOG-HNNXBMFYSA-N 2 0 355.483 -0.657 20 0 FBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC[N@@H+]1C ZINC001331576190 850089638 /nfs/dbraw/zinc/08/96/38/850089638.db2.gz WEXYEJMFVZAZFE-ILXRZTDVSA-N 2 0 352.479 -0.140 20 0 FBADRP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC[N@@H+]1C ZINC001331576262 850090188 /nfs/dbraw/zinc/09/01/88/850090188.db2.gz WEXYEJMFVZAZFE-KFWWJZLASA-N 2 0 352.479 -0.140 20 0 FBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC[N@@H+]1C ZINC001331576264 850089720 /nfs/dbraw/zinc/08/97/20/850089720.db2.gz WEXYEJMFVZAZFE-QLFBSQMISA-N 2 0 352.479 -0.140 20 0 FBADRP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC[N@@H+]1C ZINC001331576267 850089327 /nfs/dbraw/zinc/08/93/27/850089327.db2.gz WEXYEJMFVZAZFE-RBSFLKMASA-N 2 0 352.479 -0.140 20 0 FBADRP CN1CC[NH+](CCCCNC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC001331585831 850090704 /nfs/dbraw/zinc/09/07/04/850090704.db2.gz TYSPBLNETYOUJI-HNNXBMFYSA-N 2 0 351.495 -0.469 20 0 FBADRP CN1CC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC001331585832 850091008 /nfs/dbraw/zinc/09/10/08/850091008.db2.gz TYSPBLNETYOUJI-OAHLLOKOSA-N 2 0 351.495 -0.469 20 0 FBADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N[C@H]3CCC[C@@H]([NH3+])C3)C2)CC1 ZINC001331589520 850092438 /nfs/dbraw/zinc/09/24/38/850092438.db2.gz IRFHIKZNEGFRFD-ILXRZTDVSA-N 3 0 351.495 -0.343 20 0 FBADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)C2)CC1 ZINC001331589521 850092234 /nfs/dbraw/zinc/09/22/34/850092234.db2.gz IRFHIKZNEGFRFD-KFWWJZLASA-N 3 0 351.495 -0.343 20 0 FBADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N[C@H]3CCC[C@H]([NH3+])C3)C2)CC1 ZINC001331589522 850092186 /nfs/dbraw/zinc/09/21/86/850092186.db2.gz IRFHIKZNEGFRFD-KKUMJFAQSA-N 3 0 351.495 -0.343 20 0 FBADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)C2)CC1 ZINC001331589615 850092128 /nfs/dbraw/zinc/09/21/28/850092128.db2.gz IRFHIKZNEGFRFD-ZNMIVQPWSA-N 3 0 351.495 -0.343 20 0 FBADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)[C@H](C)C1 ZINC001331590086 850091771 /nfs/dbraw/zinc/09/17/71/850091771.db2.gz MHUHFWOQDJCXGW-FXUDXRNXSA-N 2 0 352.479 -0.188 20 0 FBADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)[C@H](C)C1 ZINC001331590087 850092520 /nfs/dbraw/zinc/09/25/20/850092520.db2.gz MHUHFWOQDJCXGW-UGUYLWEFSA-N 2 0 352.479 -0.188 20 0 FBADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)[C@@H](C)C1 ZINC001331590088 850092073 /nfs/dbraw/zinc/09/20/73/850092073.db2.gz MHUHFWOQDJCXGW-VGWMRTNUSA-N 2 0 352.479 -0.188 20 0 FBADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)[C@@H](C)C1 ZINC001331590089 850091857 /nfs/dbraw/zinc/09/18/57/850091857.db2.gz MHUHFWOQDJCXGW-YHUYYLMFSA-N 2 0 352.479 -0.188 20 0 FBADRP CCN(C(=O)C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1)[C@@H]1CC[NH2+]C1 ZINC001331604485 850094528 /nfs/dbraw/zinc/09/45/28/850094528.db2.gz RQTFDAXCXRYNGJ-CVEARBPZSA-N 2 0 353.511 -0.415 20 0 FBADRP CCN(C(=O)C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1)[C@H]1CC[NH2+]C1 ZINC001331604486 850094582 /nfs/dbraw/zinc/09/45/82/850094582.db2.gz RQTFDAXCXRYNGJ-HOTGVXAUSA-N 2 0 353.511 -0.415 20 0 FBADRP CCN(C(=O)C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1)[C@@H]1CC[NH2+]C1 ZINC001331604489 850094425 /nfs/dbraw/zinc/09/44/25/850094425.db2.gz RQTFDAXCXRYNGJ-HZPDHXFCSA-N 2 0 353.511 -0.415 20 0 FBADRP CCN(C(=O)C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1)[C@H]1CC[NH2+]C1 ZINC001331604492 850094318 /nfs/dbraw/zinc/09/43/18/850094318.db2.gz RQTFDAXCXRYNGJ-JKSUJKDBSA-N 2 0 353.511 -0.415 20 0 FBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC001331708660 850113359 /nfs/dbraw/zinc/11/33/59/850113359.db2.gz WHMPIVNCJFLYQC-CVEARBPZSA-N 2 0 352.479 -0.057 20 0 FBADRP C[C@@H]1[C@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)N2CCCCCC2)CC[N@@H+]1C ZINC001331711811 850112736 /nfs/dbraw/zinc/11/27/36/850112736.db2.gz KBCLEXWXBKAYML-BZUAXINKSA-N 2 0 354.495 -0.204 20 0 FBADRP C[C@@H]1[C@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)N2CCCCCC2)CC[N@@H+]1C ZINC001331711813 850113338 /nfs/dbraw/zinc/11/33/38/850113338.db2.gz KBCLEXWXBKAYML-OWCLPIDISA-N 2 0 354.495 -0.204 20 0 FBADRP C[NH2+]CCOCCNC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001331730154 850116663 /nfs/dbraw/zinc/11/66/63/850116663.db2.gz JTGPJDNMUXGVHF-KGLIPLIRSA-N 2 0 355.439 -0.811 20 0 FBADRP COc1cc(NC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)[nH]n1 ZINC001331761215 850122458 /nfs/dbraw/zinc/12/24/58/850122458.db2.gz GPLPDZRBAMXGCB-LLVKDONJSA-N 2 0 350.423 -0.359 20 0 FBADRP COc1cc(NC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)[nH]n1 ZINC001331761222 850122361 /nfs/dbraw/zinc/12/23/61/850122361.db2.gz GPLPDZRBAMXGCB-NSHDSACASA-N 2 0 350.423 -0.359 20 0 FBADRP CN1CCN(C(=O)[C@H]2CCC[NH+]2C)C[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001331809871 850132410 /nfs/dbraw/zinc/13/24/10/850132410.db2.gz KDLFKXHSSVCICU-ARFHVFGLSA-N 2 0 351.495 -0.566 20 0 FBADRP CN1CCN(C(=O)[C@H]2CCC[NH+]2C)C[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001331809873 850132535 /nfs/dbraw/zinc/13/25/35/850132535.db2.gz KDLFKXHSSVCICU-BZUAXINKSA-N 2 0 351.495 -0.566 20 0 FBADRP CO[C@@]1(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCS(=O)(=O)C1 ZINC001331887004 850143223 /nfs/dbraw/zinc/14/32/23/850143223.db2.gz UBOFGJCWLVCSQD-FMKPAKJESA-N 2 0 361.508 -0.612 20 0 FBADRP CO[C@]1(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCS(=O)(=O)C1 ZINC001331887005 850143840 /nfs/dbraw/zinc/14/38/40/850143840.db2.gz UBOFGJCWLVCSQD-IIAWOOMASA-N 2 0 361.508 -0.612 20 0 FBADRP O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001331906935 850144859 /nfs/dbraw/zinc/14/48/59/850144859.db2.gz ZCPSZHNJTKKUHH-YESZJQIVSA-N 2 0 351.495 -0.071 20 0 FBADRP O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001331906936 850144379 /nfs/dbraw/zinc/14/43/79/850144379.db2.gz ZCPSZHNJTKKUHH-ZACQAIPSSA-N 2 0 351.495 -0.071 20 0 FBADRP C[NH+]1CCN(CCCS(=O)(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)CC1 ZINC001331914136 850146627 /nfs/dbraw/zinc/14/66/27/850146627.db2.gz BOVUNDKJGAOEPL-SJORKVTESA-N 2 0 374.551 -0.218 20 0 FBADRP CO[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC001331947583 850148985 /nfs/dbraw/zinc/14/89/85/850148985.db2.gz NTUFYUJCYBGAHA-BZUAXINKSA-N 2 0 354.495 -0.178 20 0 FBADRP CO[C@H]1CCCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC001331947586 850148954 /nfs/dbraw/zinc/14/89/54/850148954.db2.gz NTUFYUJCYBGAHA-OAGGEKHMSA-N 2 0 354.495 -0.178 20 0 FBADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)NCC[C@H](C)[NH3+])CC2)CC1 ZINC001331957589 850150030 /nfs/dbraw/zinc/15/00/30/850150030.db2.gz MABRDRXZKFRMCD-HNNXBMFYSA-N 2 0 353.511 -0.143 20 0 FBADRP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C(=O)N1c1cnn(C)c1 ZINC001331960229 850150280 /nfs/dbraw/zinc/15/02/80/850150280.db2.gz RKZIFAXPJRLBCP-BMFZPTHFSA-N 2 0 350.467 -0.888 20 0 FBADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C(=O)N1c1cnn(C)c1 ZINC001331960230 850149715 /nfs/dbraw/zinc/14/97/15/850149715.db2.gz RKZIFAXPJRLBCP-FVQBIDKESA-N 2 0 350.467 -0.888 20 0 FBADRP C[C@@H]1C[C@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)C(=O)N1c1cnn(C)c1 ZINC001331960232 850149996 /nfs/dbraw/zinc/14/99/96/850149996.db2.gz RKZIFAXPJRLBCP-KBMXLJTQSA-N 2 0 350.467 -0.888 20 0 FBADRP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)C(=O)N1c1cnn(C)c1 ZINC001331960233 850149749 /nfs/dbraw/zinc/14/97/49/850149749.db2.gz RKZIFAXPJRLBCP-VNQPRFMTSA-N 2 0 350.467 -0.888 20 0 FBADRP COc1cc(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)ccc1OCCO ZINC001331961931 850149783 /nfs/dbraw/zinc/14/97/83/850149783.db2.gz AFHKTBHVPGVCAN-INIZCTEOSA-N 2 0 353.463 -0.236 20 0 FBADRP COc1cc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)ccc1OCCO ZINC001331961933 850150265 /nfs/dbraw/zinc/15/02/65/850150265.db2.gz AFHKTBHVPGVCAN-MRXNPFEDSA-N 2 0 353.463 -0.236 20 0 FBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2ccc(CS(C)(=O)=O)cc2)CC1 ZINC001331962731 850149900 /nfs/dbraw/zinc/14/99/00/850149900.db2.gz MZXWMQBMNNSDPI-KRWDZBQOSA-N 2 0 355.504 -0.071 20 0 FBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2ccc(CS(C)(=O)=O)cc2)CC1 ZINC001331962732 850150144 /nfs/dbraw/zinc/15/01/44/850150144.db2.gz MZXWMQBMNNSDPI-QGZVFWFLSA-N 2 0 355.504 -0.071 20 0 FBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CC(C)(C)[C@@H]2COCC23OCCO3)CC1 ZINC001331970049 850151209 /nfs/dbraw/zinc/15/12/09/850151209.db2.gz FSJZECRJNRTAIT-CVEARBPZSA-N 2 0 357.495 -0.400 20 0 FBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC(C)(C)[C@@H]2COCC23OCCO3)CC1 ZINC001331970052 850151479 /nfs/dbraw/zinc/15/14/79/850151479.db2.gz FSJZECRJNRTAIT-HOTGVXAUSA-N 2 0 357.495 -0.400 20 0 FBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CC(C)(C)[C@H]2COCC23OCCO3)CC1 ZINC001331970054 850150999 /nfs/dbraw/zinc/15/09/99/850150999.db2.gz FSJZECRJNRTAIT-HZPDHXFCSA-N 2 0 357.495 -0.400 20 0 FBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC(C)(C)[C@H]2COCC23OCCO3)CC1 ZINC001331970057 850151054 /nfs/dbraw/zinc/15/10/54/850151054.db2.gz FSJZECRJNRTAIT-JKSUJKDBSA-N 2 0 357.495 -0.400 20 0 FBADRP Cn1cc([C@@H]2CN(S(=O)(=O)CCCN3CC[NH+](C)CC3)C[C@H]2[NH3+])cn1 ZINC001331984334 850152290 /nfs/dbraw/zinc/15/22/90/850152290.db2.gz PMCFOYUQHQPZSQ-JKSUJKDBSA-N 2 0 370.523 -0.886 20 0 FBADRP C[S@](=O)C1(C(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)CC[NH2+]CC1 ZINC001331991954 850153499 /nfs/dbraw/zinc/15/34/99/850153499.db2.gz QZSBCRVHVFRXKG-DEOSSOPVSA-N 2 0 352.464 -0.675 20 0 FBADRP C[S@@](=O)C1(C(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)CC[NH2+]CC1 ZINC001331991993 850153809 /nfs/dbraw/zinc/15/38/09/850153809.db2.gz QZSBCRVHVFRXKG-XMMPIXPASA-N 2 0 352.464 -0.675 20 0 FBADRP C[NH+](C)C[C@@H]1CN(S(=O)(=O)CCS(C)(=O)=O)C[C@H]1C[NH+](C)C ZINC001332036225 846395802 /nfs/dbraw/zinc/39/58/02/846395802.db2.gz IQENNFMFOFLKSQ-CHWSQXEVSA-N 2 0 355.526 -0.968 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)O3)C[C@H]1C[NH+](C)C ZINC001332042002 850161809 /nfs/dbraw/zinc/16/18/09/850161809.db2.gz SKZLCWPOYKKXJO-FPCVCCKLSA-N 2 0 352.479 -0.426 20 0 FBADRP CN(CC1(C)COC1)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001332057457 850165759 /nfs/dbraw/zinc/16/57/59/850165759.db2.gz WAFKDNQFCDIUQM-HUUCEWRRSA-N 2 0 354.495 -0.321 20 0 FBADRP [NH3+]C[C@@]1(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)CCCOC1 ZINC001332076574 850167888 /nfs/dbraw/zinc/16/78/88/850167888.db2.gz GJHAFCNPWXPAQU-AEFFLSMTSA-N 2 0 354.495 -0.345 20 0 FBADRP [NH3+]C[C@]1(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CCCOC1 ZINC001332076576 850168896 /nfs/dbraw/zinc/16/88/96/850168896.db2.gz GJHAFCNPWXPAQU-FUHWJXTLSA-N 2 0 354.495 -0.345 20 0 FBADRP [NH3+]C[C@]1(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)CCCOC1 ZINC001332076577 850169375 /nfs/dbraw/zinc/16/93/75/850169375.db2.gz GJHAFCNPWXPAQU-SJLPKXTDSA-N 2 0 354.495 -0.345 20 0 FBADRP [NH3+]C[C@@]1(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CCCOC1 ZINC001332076579 850169492 /nfs/dbraw/zinc/16/94/92/850169492.db2.gz GJHAFCNPWXPAQU-WMZOPIPTSA-N 2 0 354.495 -0.345 20 0 FBADRP O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC001332076670 850168954 /nfs/dbraw/zinc/16/89/54/850168954.db2.gz IDWSUDRHTZSJQC-BQFCYCMXSA-N 2 0 352.479 -0.865 20 0 FBADRP O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC001332076671 850169104 /nfs/dbraw/zinc/16/91/04/850169104.db2.gz IDWSUDRHTZSJQC-JZXOWHBKSA-N 2 0 352.479 -0.865 20 0 FBADRP CN(Cc1ncc[nH]1)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001332080034 850169201 /nfs/dbraw/zinc/16/92/01/850169201.db2.gz TYYINLPGDLRHOP-ZIAGYGMSSA-N 2 0 350.467 -0.434 20 0 FBADRP COC(CNC(=O)C1CC[NH+](C)CC1)CNC(=O)C1CC[NH+](C)CC1 ZINC001332081096 850169307 /nfs/dbraw/zinc/16/93/07/850169307.db2.gz GHQVSEDLKODJMS-UHFFFAOYSA-N 2 0 354.495 -0.083 20 0 FBADRP CN1CC[NH+](C2CCN(C(=O)C(=O)N3CC[C@@H](F)[C@H]([NH3+])C3)CC2)CC1 ZINC001332116843 850174754 /nfs/dbraw/zinc/17/47/54/850174754.db2.gz TXDSBONOMGSONN-HUUCEWRRSA-N 2 0 355.458 -0.878 20 0 FBADRP CN(C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)C1CC[NH2+]CC1 ZINC001332126849 850175602 /nfs/dbraw/zinc/17/56/02/850175602.db2.gz CKBTUOVUENPUDF-HUUCEWRRSA-N 3 0 353.511 -0.605 20 0 FBADRP C[NH2+]C1CCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC1 ZINC001332127000 850175907 /nfs/dbraw/zinc/17/59/07/850175907.db2.gz DFCOTFUFWQJFSO-HUUCEWRRSA-N 3 0 353.511 -0.605 20 0 FBADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC001332127105 850175620 /nfs/dbraw/zinc/17/56/20/850175620.db2.gz FYGPFAJXDXKGAW-CAOSSQGBSA-N 3 0 353.511 -0.620 20 0 FBADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC001332127107 850176063 /nfs/dbraw/zinc/17/60/63/850176063.db2.gz FYGPFAJXDXKGAW-KLHDSHLOSA-N 3 0 353.511 -0.620 20 0 FBADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC001332127108 850175872 /nfs/dbraw/zinc/17/58/72/850175872.db2.gz FYGPFAJXDXKGAW-QKPAOTATSA-N 3 0 353.511 -0.620 20 0 FBADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC001332127110 850176012 /nfs/dbraw/zinc/17/60/12/850176012.db2.gz FYGPFAJXDXKGAW-ZJIFWQFVSA-N 3 0 353.511 -0.620 20 0 FBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001332138425 850176892 /nfs/dbraw/zinc/17/68/92/850176892.db2.gz YVBBZFFDNCNCGC-GDBMZVCRSA-N 2 0 352.479 -0.138 20 0 FBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001332138427 850176800 /nfs/dbraw/zinc/17/68/00/850176800.db2.gz YVBBZFFDNCNCGC-GOEBONIOSA-N 2 0 352.479 -0.138 20 0 FBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001332138429 850177100 /nfs/dbraw/zinc/17/71/00/850177100.db2.gz YVBBZFFDNCNCGC-HOCLYGCPSA-N 2 0 352.479 -0.138 20 0 FBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001332138431 850177163 /nfs/dbraw/zinc/17/71/63/850177163.db2.gz YVBBZFFDNCNCGC-ZBFHGGJFSA-N 2 0 352.479 -0.138 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(S(N)(=O)=O)nc2)C[C@H]1C[NH+](C)C ZINC001332174458 850180663 /nfs/dbraw/zinc/18/06/63/850180663.db2.gz CQFUSLVQLSSSSN-ZIAGYGMSSA-N 2 0 369.491 -0.460 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)C1 ZINC001332235775 850186902 /nfs/dbraw/zinc/18/69/02/850186902.db2.gz PQUPKQUYOBMEMP-BZUAXINKSA-N 2 0 352.479 -0.188 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)C1 ZINC001332235780 850186395 /nfs/dbraw/zinc/18/63/95/850186395.db2.gz PQUPKQUYOBMEMP-OAGGEKHMSA-N 2 0 352.479 -0.188 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)C1 ZINC001332235784 850187044 /nfs/dbraw/zinc/18/70/44/850187044.db2.gz PQUPKQUYOBMEMP-OWCLPIDISA-N 2 0 352.479 -0.188 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)C1 ZINC001332235786 850186505 /nfs/dbraw/zinc/18/65/05/850186505.db2.gz PQUPKQUYOBMEMP-PMPSAXMXSA-N 2 0 352.479 -0.188 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1 ZINC001332237412 850187852 /nfs/dbraw/zinc/18/78/52/850187852.db2.gz XJBRPSMKIDEHOC-HDMKZQKVSA-N 2 0 352.479 -0.473 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1 ZINC001332237413 850188003 /nfs/dbraw/zinc/18/80/03/850188003.db2.gz XJBRPSMKIDEHOC-RLFYNMQTSA-N 2 0 352.479 -0.473 20 0 FBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC001332252976 850190164 /nfs/dbraw/zinc/19/01/64/850190164.db2.gz NOLIVIFVQWMWFC-BFJAYTPKSA-N 2 0 352.479 -0.181 20 0 FBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC001332252981 850190458 /nfs/dbraw/zinc/19/04/58/850190458.db2.gz NOLIVIFVQWMWFC-CLWVCHIJSA-N 2 0 352.479 -0.181 20 0 FBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC001332252985 850190274 /nfs/dbraw/zinc/19/02/74/850190274.db2.gz NOLIVIFVQWMWFC-OCVGTWLNSA-N 2 0 352.479 -0.181 20 0 FBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC001332252990 850190281 /nfs/dbraw/zinc/19/02/81/850190281.db2.gz NOLIVIFVQWMWFC-VRKREXBASA-N 2 0 352.479 -0.181 20 0 FBADRP COC(=O)c1ccc(=O)n(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)n1 ZINC001332261586 850191304 /nfs/dbraw/zinc/19/13/04/850191304.db2.gz PRLXYXIUXFMGJY-ZIAGYGMSSA-N 2 0 351.451 -0.341 20 0 FBADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC001332288458 850195713 /nfs/dbraw/zinc/19/57/13/850195713.db2.gz REQSKSKDURJOAM-BARDWOONSA-N 3 0 351.451 -0.949 20 0 FBADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC001332288459 850196230 /nfs/dbraw/zinc/19/62/30/850196230.db2.gz REQSKSKDURJOAM-TUVASFSCSA-N 3 0 351.451 -0.949 20 0 FBADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC001332288460 850196350 /nfs/dbraw/zinc/19/63/50/850196350.db2.gz REQSKSKDURJOAM-XQLPTFJDSA-N 3 0 351.451 -0.949 20 0 FBADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC001332288461 850195877 /nfs/dbraw/zinc/19/58/77/850195877.db2.gz REQSKSKDURJOAM-YJNKXOJESA-N 3 0 351.451 -0.949 20 0 FBADRP [NH3+]C[C@]1(C(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)CCCOC1 ZINC001332288558 850196344 /nfs/dbraw/zinc/19/63/44/850196344.db2.gz UGLLQSJDEQHNDV-JKIFEVAISA-N 2 0 352.435 -0.475 20 0 FBADRP [NH3+]C[C@@]1(C(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)CCCOC1 ZINC001332288563 850195816 /nfs/dbraw/zinc/19/58/16/850195816.db2.gz UGLLQSJDEQHNDV-KEYYUXOJSA-N 2 0 352.435 -0.475 20 0 FBADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC001332289404 850196376 /nfs/dbraw/zinc/19/63/76/850196376.db2.gz WXLALSZBQFTXPB-KBPBESRZSA-N 2 0 351.495 -0.391 20 0 FBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC001332289406 850195839 /nfs/dbraw/zinc/19/58/39/850195839.db2.gz WXLALSZBQFTXPB-KGLIPLIRSA-N 2 0 351.495 -0.391 20 0 FBADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC001332289409 850196320 /nfs/dbraw/zinc/19/63/20/850196320.db2.gz WXLALSZBQFTXPB-UONOGXRCSA-N 2 0 351.495 -0.391 20 0 FBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC001332289412 850195926 /nfs/dbraw/zinc/19/59/26/850195926.db2.gz WXLALSZBQFTXPB-ZIAGYGMSSA-N 2 0 351.495 -0.391 20 0 FBADRP C[NH+]1CCN(CCCS(=O)(=O)N2CC(CN3CC[NH+](C)CC3)C2)CC1 ZINC001332323216 850202697 /nfs/dbraw/zinc/20/26/97/850202697.db2.gz QWHLIQKJYRXGPK-UHFFFAOYSA-N 2 0 373.567 -0.867 20 0 FBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC001332326739 850203844 /nfs/dbraw/zinc/20/38/44/850203844.db2.gz OVUKEIGAJWZGNS-WKILWMFISA-N 2 0 353.511 -0.284 20 0 FBADRP C[NH+]1CCN(c2ccccc2CNS(=O)(=O)N2CC[NH2+]CC2)CC1 ZINC001332335564 850204911 /nfs/dbraw/zinc/20/49/11/850204911.db2.gz YAGKMZLGIHRUHR-UHFFFAOYSA-N 2 0 353.492 -0.322 20 0 FBADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC001332345040 850206571 /nfs/dbraw/zinc/20/65/71/850206571.db2.gz HFODJXMTRUYTHE-ARFHVFGLSA-N 2 0 352.479 -0.057 20 0 FBADRP [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC001332345041 850206924 /nfs/dbraw/zinc/20/69/24/850206924.db2.gz HFODJXMTRUYTHE-HRCADAONSA-N 2 0 352.479 -0.057 20 0 FBADRP [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC001332345042 850206878 /nfs/dbraw/zinc/20/68/78/850206878.db2.gz HFODJXMTRUYTHE-JYJNAYRXSA-N 2 0 352.479 -0.057 20 0 FBADRP [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC001332345043 850206490 /nfs/dbraw/zinc/20/64/90/850206490.db2.gz HFODJXMTRUYTHE-XHSDSOJGSA-N 2 0 352.479 -0.057 20 0 FBADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC001332346498 850206268 /nfs/dbraw/zinc/20/62/68/850206268.db2.gz RTSQTFWDTBWOTL-CABCVRRESA-N 2 0 353.511 -0.143 20 0 FBADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC001332346499 850206938 /nfs/dbraw/zinc/20/69/38/850206938.db2.gz RTSQTFWDTBWOTL-GJZGRUSLSA-N 2 0 353.511 -0.143 20 0 FBADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC001332346500 850207029 /nfs/dbraw/zinc/20/70/29/850207029.db2.gz RTSQTFWDTBWOTL-HUUCEWRRSA-N 2 0 353.511 -0.143 20 0 FBADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC001332346501 850206624 /nfs/dbraw/zinc/20/66/24/850206624.db2.gz RTSQTFWDTBWOTL-LSDHHAIUSA-N 2 0 353.511 -0.143 20 0 FBADRP COC(=O)[C@@H](F)CNC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC001332361785 850208747 /nfs/dbraw/zinc/20/87/47/850208747.db2.gz ZFXSLGCNFSVQQH-ZDUSSCGKSA-N 2 0 360.430 -0.902 20 0 FBADRP O=C1N[C@@H]2CN(S(=O)(=O)[C@@H]3CCC[NH2+]C3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC001332364693 850208948 /nfs/dbraw/zinc/20/89/48/850208948.db2.gz OPXIJUZTNGRIDI-KFWWJZLASA-N 2 0 371.507 -0.712 20 0 FBADRP O=C1N[C@@H]2CN(S(=O)(=O)[C@@H]3CCC[NH2+]C3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC001332364698 850208897 /nfs/dbraw/zinc/20/88/97/850208897.db2.gz OPXIJUZTNGRIDI-RBSFLKMASA-N 2 0 371.507 -0.712 20 0 FBADRP O=C1N[C@@H]2CN(S(=O)(=O)[C@H]3CCC[NH2+]C3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC001332364700 850208668 /nfs/dbraw/zinc/20/86/68/850208668.db2.gz OPXIJUZTNGRIDI-RRFJBIMHSA-N 2 0 371.507 -0.712 20 0 FBADRP O=C1N[C@@H]2CN(S(=O)(=O)[C@H]3CCC[NH2+]C3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC001332364704 850209150 /nfs/dbraw/zinc/20/91/50/850209150.db2.gz OPXIJUZTNGRIDI-ZNMIVQPWSA-N 2 0 371.507 -0.712 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2C[C@H]([NH2+]CCNS(C)(=O)=O)C(C)(C)C2)CC[N@@H+]1C ZINC001332381305 850213285 /nfs/dbraw/zinc/21/32/85/850213285.db2.gz VJXDIWGHEXSTGC-MCIONIFRSA-N 2 0 360.524 -0.298 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]CCNS(C)(=O)=O)C(C)(C)C2)CC[N@@H+]1C ZINC001332381306 850213644 /nfs/dbraw/zinc/21/36/44/850213644.db2.gz VJXDIWGHEXSTGC-MGPQQGTHSA-N 2 0 360.524 -0.298 20 0 FBADRP CO[C@H]1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)C1 ZINC001332461643 850224647 /nfs/dbraw/zinc/22/46/47/850224647.db2.gz GCUMFIIFHWMMQG-XHSDSOJGSA-N 2 0 350.463 -0.339 20 0 FBADRP CN(C[C@H](O)CNC(=O)C[C@H]1CC[N@H+](C)C1)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001332470079 850226726 /nfs/dbraw/zinc/22/67/26/850226726.db2.gz MWPKEZGFINCZRD-BZUAXINKSA-N 2 0 354.495 -0.395 20 0 FBADRP CN(C[C@@H](O)CNC(=O)C[C@H]1CC[N@H+](C)C1)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001332470081 850226945 /nfs/dbraw/zinc/22/69/45/850226945.db2.gz MWPKEZGFINCZRD-OAGGEKHMSA-N 2 0 354.495 -0.395 20 0 FBADRP CN(C[C@H](O)CNC(=O)C[C@H]1CC[N@H+](C)C1)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001332470083 850226527 /nfs/dbraw/zinc/22/65/27/850226527.db2.gz MWPKEZGFINCZRD-OWCLPIDISA-N 2 0 354.495 -0.395 20 0 FBADRP CN(C[C@@H](O)CNC(=O)C[C@H]1CC[N@H+](C)C1)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001332470084 850226874 /nfs/dbraw/zinc/22/68/74/850226874.db2.gz MWPKEZGFINCZRD-PMPSAXMXSA-N 2 0 354.495 -0.395 20 0 FBADRP COC1(C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CC[NH2+]CC1 ZINC001332518214 850232540 /nfs/dbraw/zinc/23/25/40/850232540.db2.gz XSOAZRSNHJUBEQ-UHFFFAOYSA-N 2 0 352.439 -0.732 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]CCN2CCCC2=O)CC[N@@H+]1C ZINC001332518323 850232455 /nfs/dbraw/zinc/23/24/55/850232455.db2.gz QBAFCEUECSAQAP-HRCADAONSA-N 2 0 354.495 -0.252 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]CCN2CCCC2=O)CC[N@@H+]1C ZINC001332518324 850232436 /nfs/dbraw/zinc/23/24/36/850232436.db2.gz QBAFCEUECSAQAP-OWCLPIDISA-N 2 0 354.495 -0.252 20 0 FBADRP O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001332571527 850239628 /nfs/dbraw/zinc/23/96/28/850239628.db2.gz BSRDBOPVYNHMFU-BBWFWOEESA-N 2 0 351.495 -0.356 20 0 FBADRP O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001332571528 850239661 /nfs/dbraw/zinc/23/96/61/850239661.db2.gz BSRDBOPVYNHMFU-IXDOHACOSA-N 2 0 351.495 -0.356 20 0 FBADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CCC23CC[NH+](C)CC3)CC1 ZINC001332641815 850253115 /nfs/dbraw/zinc/25/31/15/850253115.db2.gz VFKYYQJQQPNMBB-UHFFFAOYSA-N 2 0 352.479 -0.090 20 0 FBADRP CN1CC[NH+](CCCCNC(=O)C(=O)N2CCC(CC[NH3+])CC2)CC1 ZINC001332691992 850263090 /nfs/dbraw/zinc/26/30/90/850263090.db2.gz FMGFXNREBDQKGV-UHFFFAOYSA-N 2 0 353.511 -0.282 20 0 FBADRP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC001332694365 850263024 /nfs/dbraw/zinc/26/30/24/850263024.db2.gz VTPYZFTUFPVVBF-CVEARBPZSA-N 2 0 352.479 -0.044 20 0 FBADRP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC001332694558 850262760 /nfs/dbraw/zinc/26/27/60/850262760.db2.gz VTPYZFTUFPVVBF-HOTGVXAUSA-N 2 0 352.479 -0.044 20 0 FBADRP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC001332694560 850263152 /nfs/dbraw/zinc/26/31/52/850263152.db2.gz VTPYZFTUFPVVBF-HZPDHXFCSA-N 2 0 352.479 -0.044 20 0 FBADRP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC001332694561 850263001 /nfs/dbraw/zinc/26/30/01/850263001.db2.gz VTPYZFTUFPVVBF-JKSUJKDBSA-N 2 0 352.479 -0.044 20 0 FBADRP COCCOC[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001332816227 850283669 /nfs/dbraw/zinc/28/36/69/850283669.db2.gz RBPYZXRGMWEIES-BZUAXINKSA-N 2 0 356.467 -0.770 20 0 FBADRP COCCOC[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001332816228 850283200 /nfs/dbraw/zinc/28/32/00/850283200.db2.gz RBPYZXRGMWEIES-OAGGEKHMSA-N 2 0 356.467 -0.770 20 0 FBADRP COCCOC[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001332816229 850283074 /nfs/dbraw/zinc/28/30/74/850283074.db2.gz RBPYZXRGMWEIES-OWCLPIDISA-N 2 0 356.467 -0.770 20 0 FBADRP COCCOC[C@H](O)C[N@@H+]1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001332816230 850283316 /nfs/dbraw/zinc/28/33/16/850283316.db2.gz RBPYZXRGMWEIES-PMPSAXMXSA-N 2 0 356.467 -0.770 20 0 FBADRP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@@H+](C[C@H](O)COC2CCOCC2)C1 ZINC001332816654 850283235 /nfs/dbraw/zinc/28/32/35/850283235.db2.gz VMMFCIZPRJRFLA-CLWVCHIJSA-N 2 0 355.435 -0.590 20 0 FBADRP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@@H+](C[C@H](O)COC2CCOCC2)C1 ZINC001332816656 850283277 /nfs/dbraw/zinc/28/32/77/850283277.db2.gz VMMFCIZPRJRFLA-UGQVUOCMSA-N 2 0 355.435 -0.590 20 0 FBADRP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@@H+](C[C@@H](O)COC2CCOCC2)C1 ZINC001332816659 850283106 /nfs/dbraw/zinc/28/31/06/850283106.db2.gz VMMFCIZPRJRFLA-XNISGKROSA-N 2 0 355.435 -0.590 20 0 FBADRP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@@H+](C[C@@H](O)COC2CCOCC2)C1 ZINC001332816662 850283609 /nfs/dbraw/zinc/28/36/09/850283609.db2.gz VMMFCIZPRJRFLA-XOUADPBQSA-N 2 0 355.435 -0.590 20 0 FBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)COCC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC001332915916 850297826 /nfs/dbraw/zinc/29/78/26/850297826.db2.gz VOPGGKDJVBXMCG-RUPPMWDTSA-N 2 0 354.495 -0.084 20 0 FBADRP CC[NH+](CC)C1CCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC001332946023 850301108 /nfs/dbraw/zinc/30/11/08/850301108.db2.gz ROJCFYFGTUBUGV-JKSUJKDBSA-N 2 0 352.479 -0.403 20 0 FBADRP O=C(NCCN1CC[NH2+]CC1)c1nnn(C2CC[NH2+]CC2)c1C(F)F ZINC001332959143 850302223 /nfs/dbraw/zinc/30/22/23/850302223.db2.gz QNSIAMNUXOLQBC-UHFFFAOYSA-N 2 0 357.409 -0.225 20 0 FBADRP C[C@]1(C(=O)N2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)C[NH2+]CCO1 ZINC001332976169 850305268 /nfs/dbraw/zinc/30/52/68/850305268.db2.gz NJSXRRAWZQUQLB-CKEIUWERSA-N 2 0 351.451 -0.888 20 0 FBADRP C[C@]1(C(=O)N2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)C[NH2+]CCO1 ZINC001332976170 850305508 /nfs/dbraw/zinc/30/55/08/850305508.db2.gz NJSXRRAWZQUQLB-GRDNDAEWSA-N 2 0 351.451 -0.888 20 0 FBADRP C[C@]1(C(=O)N2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)C[NH2+]CCO1 ZINC001332976171 850305437 /nfs/dbraw/zinc/30/54/37/850305437.db2.gz NJSXRRAWZQUQLB-JJRVBVJISA-N 2 0 351.451 -0.888 20 0 FBADRP C[C@]1(C(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)C[NH2+]CCO1 ZINC001332976172 850305533 /nfs/dbraw/zinc/30/55/33/850305533.db2.gz NJSXRRAWZQUQLB-JKIFEVAISA-N 2 0 351.451 -0.888 20 0 FBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@@]2(COC)C[NH2+]CCO2)CC1 ZINC001332976324 850304834 /nfs/dbraw/zinc/30/48/34/850304834.db2.gz OVXKRAJYHPVNMO-KRWDZBQOSA-N 2 0 356.467 -0.902 20 0 FBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@]2(COC)C[NH2+]CCO2)CC1 ZINC001332976326 850305204 /nfs/dbraw/zinc/30/52/04/850305204.db2.gz OVXKRAJYHPVNMO-QGZVFWFLSA-N 2 0 356.467 -0.902 20 0 FBADRP C[NH+](C)CCOCCNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC001332983241 850306645 /nfs/dbraw/zinc/30/66/45/850306645.db2.gz ZCSROCUEGNPKEC-HNNXBMFYSA-N 2 0 356.467 -0.950 20 0 FBADRP C[NH+](C)CCOCCNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC001332983242 850306016 /nfs/dbraw/zinc/30/60/16/850306016.db2.gz ZCSROCUEGNPKEC-OAHLLOKOSA-N 2 0 356.467 -0.950 20 0 FBADRP C[C@@H](CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)C[NH+]1CCN(C)CC1 ZINC001332990241 850306628 /nfs/dbraw/zinc/30/66/28/850306628.db2.gz BFSPMVDCUMZZEM-HRCADAONSA-N 2 0 353.511 -0.558 20 0 FBADRP C[C@H](CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)C[NH+]1CCN(C)CC1 ZINC001332990242 850306451 /nfs/dbraw/zinc/30/64/51/850306451.db2.gz BFSPMVDCUMZZEM-OAGGEKHMSA-N 2 0 353.511 -0.558 20 0 FBADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[NH+]2CCO ZINC001333008417 850309322 /nfs/dbraw/zinc/30/93/22/850309322.db2.gz DVSYIDBQJZDRQG-CVEARBPZSA-N 2 0 354.495 -0.108 20 0 FBADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[NH+]2CCO ZINC001333008418 850308886 /nfs/dbraw/zinc/30/88/86/850308886.db2.gz DVSYIDBQJZDRQG-HOTGVXAUSA-N 2 0 354.495 -0.108 20 0 FBADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[NH+]2CCO ZINC001333008419 850309547 /nfs/dbraw/zinc/30/95/47/850309547.db2.gz DVSYIDBQJZDRQG-HZPDHXFCSA-N 2 0 354.495 -0.108 20 0 FBADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[NH+]2CCO ZINC001333008420 850309200 /nfs/dbraw/zinc/30/92/00/850309200.db2.gz DVSYIDBQJZDRQG-JKSUJKDBSA-N 2 0 354.495 -0.108 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N(C)C2CC([NH2+]CCNS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001333071255 850317248 /nfs/dbraw/zinc/31/72/48/850317248.db2.gz UIZXAQOFEGNZND-PFSRBDOWSA-N 2 0 360.524 -0.155 20 0 FBADRP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)CC[N@@H+]1C ZINC001333157720 850329837 /nfs/dbraw/zinc/32/98/37/850329837.db2.gz IYFLKQWVRUQWTH-FMKPAKJESA-N 2 0 352.479 -0.045 20 0 FBADRP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2CC[NH+]2C2CCOCC2)CC[N@@H+]1C ZINC001333157722 850330059 /nfs/dbraw/zinc/33/00/59/850330059.db2.gz IYFLKQWVRUQWTH-IIAWOOMASA-N 2 0 352.479 -0.045 20 0 FBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2CC[NH+]2C2CCOCC2)CC[N@@H+]1C ZINC001333157725 850330249 /nfs/dbraw/zinc/33/02/49/850330249.db2.gz IYFLKQWVRUQWTH-IJEWVQPXSA-N 2 0 352.479 -0.045 20 0 FBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)CC[N@@H+]1C ZINC001333157728 850329949 /nfs/dbraw/zinc/32/99/49/850329949.db2.gz IYFLKQWVRUQWTH-YCPHGPKFSA-N 2 0 352.479 -0.045 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH2+]CCO)CC[N@@H+]1C ZINC001333165183 850333186 /nfs/dbraw/zinc/33/31/86/850333186.db2.gz HTVWHDKVSJRPTK-BZUAXINKSA-N 2 0 354.495 -0.204 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CNC(=O)CC[NH2+]CCO)CC[N@@H+]1C ZINC001333165184 850333160 /nfs/dbraw/zinc/33/31/60/850333160.db2.gz HTVWHDKVSJRPTK-OWCLPIDISA-N 2 0 354.495 -0.204 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)NCCCCS(N)(=O)=O)C[C@H]1C[NH+](C)C ZINC001333171267 850334060 /nfs/dbraw/zinc/33/40/60/850334060.db2.gz FRCSVJYBSSGTHZ-ZIAGYGMSSA-N 2 0 363.528 -0.564 20 0 FBADRP O=C(NCCCN1CC[NH2+]CC1)c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F ZINC001333307508 850352052 /nfs/dbraw/zinc/35/20/52/850352052.db2.gz NXGUQSBFTVJBQS-LLVKDONJSA-N 2 0 357.409 -0.225 20 0 FBADRP O=C(NCCCN1CC[NH2+]CC1)c1nnn([C@H]2CC[NH2+]C2)c1C(F)F ZINC001333307510 850352017 /nfs/dbraw/zinc/35/20/17/850352017.db2.gz NXGUQSBFTVJBQS-NSHDSACASA-N 2 0 357.409 -0.225 20 0 FBADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@H]2C(=O)NCC23CCOCC3)CC1 ZINC001333319837 850354085 /nfs/dbraw/zinc/35/40/85/850354085.db2.gz QTHMXMURSRYUSJ-INIZCTEOSA-N 2 0 352.479 -0.140 20 0 FBADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H]2C(=O)NCC23CCOCC3)CC1 ZINC001333319838 850353955 /nfs/dbraw/zinc/35/39/55/850353955.db2.gz QTHMXMURSRYUSJ-MRXNPFEDSA-N 2 0 352.479 -0.140 20 0 FBADRP C[S@](=O)C1(C(=O)Nc2ccc(N3CC[NH2+]CC3)cn2)CC[NH2+]CC1 ZINC001333320625 850354295 /nfs/dbraw/zinc/35/42/95/850354295.db2.gz PPTAWUBYEYFRAN-DEOSSOPVSA-N 2 0 351.476 -0.070 20 0 FBADRP C[S@@](=O)C1(C(=O)Nc2ccc(N3CC[NH2+]CC3)cn2)CC[NH2+]CC1 ZINC001333320626 850354020 /nfs/dbraw/zinc/35/40/20/850354020.db2.gz PPTAWUBYEYFRAN-XMMPIXPASA-N 2 0 351.476 -0.070 20 0 FBADRP C[C@@H]1[C@H](C(=O)NCC2=CCN(CCNS(C)(=O)=O)CC2)CC[N@@H+]1C ZINC001333341877 850356716 /nfs/dbraw/zinc/35/67/16/850356716.db2.gz DWELFPCXFFTQLC-UKRRQHHQSA-N 2 0 358.508 -0.376 20 0 FBADRP CC[NH+]1CCC(NC(=O)C[NH+]2CCC3(CC2)C[C@H](O)CNC3=O)CC1 ZINC001333348112 850356248 /nfs/dbraw/zinc/35/62/48/850356248.db2.gz DYSWRUZFFGJVBI-HNNXBMFYSA-N 2 0 352.479 -0.450 20 0 FBADRP CC[NH+]1CCC(NC(=O)C[NH+]2CCC3(CC2)C[C@@H](O)CNC3=O)CC1 ZINC001333348113 850356584 /nfs/dbraw/zinc/35/65/84/850356584.db2.gz DYSWRUZFFGJVBI-OAHLLOKOSA-N 2 0 352.479 -0.450 20 0 FBADRP C[S@](=O)C1(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)CC[NH2+]CC1 ZINC001333354242 850357980 /nfs/dbraw/zinc/35/79/80/850357980.db2.gz LBXJBHDUECOTHL-DEOSSOPVSA-N 3 0 351.476 -0.070 20 0 FBADRP C[S@@](=O)C1(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)CC[NH2+]CC1 ZINC001333354245 850357904 /nfs/dbraw/zinc/35/79/04/850357904.db2.gz LBXJBHDUECOTHL-XMMPIXPASA-N 3 0 351.476 -0.070 20 0 FBADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)CCCO1 ZINC001333366175 850358772 /nfs/dbraw/zinc/35/87/72/850358772.db2.gz WUWBPIQSDWHGGQ-BZUAXINKSA-N 2 0 352.479 -0.044 20 0 FBADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)CCCO1 ZINC001333366176 850359278 /nfs/dbraw/zinc/35/92/78/850359278.db2.gz WUWBPIQSDWHGGQ-OAGGEKHMSA-N 2 0 352.479 -0.044 20 0 FBADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)CCCO1 ZINC001333366177 850358813 /nfs/dbraw/zinc/35/88/13/850358813.db2.gz WUWBPIQSDWHGGQ-OWCLPIDISA-N 2 0 352.479 -0.044 20 0 FBADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)CCCO1 ZINC001333366178 850359177 /nfs/dbraw/zinc/35/91/77/850359177.db2.gz WUWBPIQSDWHGGQ-PMPSAXMXSA-N 2 0 352.479 -0.044 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC001333378489 850359901 /nfs/dbraw/zinc/35/99/01/850359901.db2.gz LDCMZRZMPQFKHW-KBXCAEBGSA-N 2 0 353.511 -0.428 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC001333378490 850360464 /nfs/dbraw/zinc/36/04/64/850360464.db2.gz LDCMZRZMPQFKHW-KDOFPFPSSA-N 2 0 353.511 -0.428 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC001333378491 850359821 /nfs/dbraw/zinc/35/98/21/850359821.db2.gz LDCMZRZMPQFKHW-KSSFIOAISA-N 2 0 353.511 -0.428 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC001333378492 850360329 /nfs/dbraw/zinc/36/03/29/850360329.db2.gz LDCMZRZMPQFKHW-RDTXWAMCSA-N 2 0 353.511 -0.428 20 0 FBADRP [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC001333400679 850364255 /nfs/dbraw/zinc/36/42/55/850364255.db2.gz AOVJHTOKUDAXPN-FMKPAKJESA-N 2 0 352.479 -0.010 20 0 FBADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC001333400680 850364077 /nfs/dbraw/zinc/36/40/77/850364077.db2.gz AOVJHTOKUDAXPN-IIAWOOMASA-N 2 0 352.479 -0.010 20 0 FBADRP [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC001333400681 850364054 /nfs/dbraw/zinc/36/40/54/850364054.db2.gz AOVJHTOKUDAXPN-LZWOXQAQSA-N 2 0 352.479 -0.010 20 0 FBADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC001333400682 850364328 /nfs/dbraw/zinc/36/43/28/850364328.db2.gz AOVJHTOKUDAXPN-SQWLQELKSA-N 2 0 352.479 -0.010 20 0 FBADRP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC001333437801 850370927 /nfs/dbraw/zinc/37/09/27/850370927.db2.gz GXXJOANLAGZWJA-GASCZTMLSA-N 2 0 352.479 -0.057 20 0 FBADRP Cn1cnc(CNC(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC001333445303 850371969 /nfs/dbraw/zinc/37/19/69/850371969.db2.gz ORXPOOUFMGGYAK-ZIAGYGMSSA-N 2 0 350.467 -0.766 20 0 FBADRP CN(C(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001333448744 850372974 /nfs/dbraw/zinc/37/29/74/850372974.db2.gz QVXNDZRWPRJYMM-DZKIICNBSA-N 2 0 351.495 -0.533 20 0 FBADRP CN(C(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001333448745 850372537 /nfs/dbraw/zinc/37/25/37/850372537.db2.gz QVXNDZRWPRJYMM-IIAWOOMASA-N 2 0 351.495 -0.533 20 0 FBADRP C[NH+]1CCN(CCCS(=O)(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)CC1 ZINC001333505946 850381693 /nfs/dbraw/zinc/38/16/93/850381693.db2.gz YIOKZDCHXZPNTQ-KRWDZBQOSA-N 2 0 374.551 -0.203 20 0 FBADRP C[NH+]1CCN(CCCS(=O)(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)CC1 ZINC001333505947 850381043 /nfs/dbraw/zinc/38/10/43/850381043.db2.gz YIOKZDCHXZPNTQ-QGZVFWFLSA-N 2 0 374.551 -0.203 20 0 FBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC001333531815 850384556 /nfs/dbraw/zinc/38/45/56/850384556.db2.gz GMMWKNBVQRVSKZ-DZGCQCFKSA-N 2 0 355.483 -0.265 20 0 FBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC001333531916 850385365 /nfs/dbraw/zinc/38/53/65/850385365.db2.gz GMMWKNBVQRVSKZ-HIFRSBDPSA-N 2 0 355.483 -0.265 20 0 FBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC001333531917 850385201 /nfs/dbraw/zinc/38/52/01/850385201.db2.gz GMMWKNBVQRVSKZ-UKRRQHHQSA-N 2 0 355.483 -0.265 20 0 FBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)CC1 ZINC001333531918 850385125 /nfs/dbraw/zinc/38/51/25/850385125.db2.gz GMMWKNBVQRVSKZ-ZFWWWQNUSA-N 2 0 355.483 -0.265 20 0 FBADRP C[N@@H+]1CCN(CCNC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1(C)C ZINC001333532605 850384658 /nfs/dbraw/zinc/38/46/58/850384658.db2.gz RELWZNZKPCLVRX-UHFFFAOYSA-N 2 0 351.455 -0.534 20 0 FBADRP C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC001333532656 850385455 /nfs/dbraw/zinc/38/54/55/850385455.db2.gz SEZGWMVDISBDIV-NEPJUHHUSA-N 2 0 350.423 -0.754 20 0 FBADRP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC001333532657 850385165 /nfs/dbraw/zinc/38/51/65/850385165.db2.gz SEZGWMVDISBDIV-NWDGAFQWSA-N 2 0 350.423 -0.754 20 0 FBADRP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC001333532658 850384735 /nfs/dbraw/zinc/38/47/35/850384735.db2.gz SEZGWMVDISBDIV-RYUDHWBXSA-N 2 0 350.423 -0.754 20 0 FBADRP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC001333532659 850384702 /nfs/dbraw/zinc/38/47/02/850384702.db2.gz SEZGWMVDISBDIV-VXGBXAGGSA-N 2 0 350.423 -0.754 20 0 FBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)n1 ZINC001333533912 850385059 /nfs/dbraw/zinc/38/50/59/850385059.db2.gz XFLBNILIKODKEB-DOMZBBRYSA-N 2 0 350.423 -0.321 20 0 FBADRP [NH3+][C@@H]1CN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC[C@H]1F ZINC001333534502 850385918 /nfs/dbraw/zinc/38/59/18/850385918.db2.gz GHFHOUYSFMMTJY-BPLDGKMQSA-N 2 0 356.442 -0.499 20 0 FBADRP [NH3+][C@@H]1CN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC[C@H]1F ZINC001333534505 850386597 /nfs/dbraw/zinc/38/65/97/850386597.db2.gz GHFHOUYSFMMTJY-NWANDNLSSA-N 2 0 356.442 -0.499 20 0 FBADRP [NH3+]C[C@H](NC(=O)C(=O)NCC1CC[NH+](C2CCOCC2)CC1)C1CC1 ZINC001333541992 850386382 /nfs/dbraw/zinc/38/63/82/850386382.db2.gz GYHRMVUKMKLSRD-INIZCTEOSA-N 2 0 352.479 -0.153 20 0 FBADRP [NH3+]C[C@@H](NC(=O)C(=O)NCC1CC[NH+](C2CCOCC2)CC1)C1CC1 ZINC001333541993 850386674 /nfs/dbraw/zinc/38/66/74/850386674.db2.gz GYHRMVUKMKLSRD-MRXNPFEDSA-N 2 0 352.479 -0.153 20 0 FBADRP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC001333565052 850390704 /nfs/dbraw/zinc/39/07/04/850390704.db2.gz FJMQGXROECHZKJ-LLVKDONJSA-N 2 0 350.423 -0.895 20 0 FBADRP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC001333565053 850390484 /nfs/dbraw/zinc/39/04/84/850390484.db2.gz FJMQGXROECHZKJ-NSHDSACASA-N 2 0 350.423 -0.895 20 0 FBADRP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001333567316 850390908 /nfs/dbraw/zinc/39/09/08/850390908.db2.gz QZJAWANCXRLSQG-KBMXLJTQSA-N 2 0 350.463 -0.291 20 0 FBADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001333567317 850390244 /nfs/dbraw/zinc/39/02/44/850390244.db2.gz QZJAWANCXRLSQG-VNQPRFMTSA-N 2 0 350.463 -0.291 20 0 FBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)C(=O)N(C)CC[NH+](C)C)CC1 ZINC001333568535 850390737 /nfs/dbraw/zinc/39/07/37/850390737.db2.gz WHYZMUTWRZZYLM-UHFFFAOYSA-N 2 0 355.483 -0.887 20 0 FBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001333627425 850398096 /nfs/dbraw/zinc/39/80/96/850398096.db2.gz YLKRFRDJWRHJOJ-ARFHVFGLSA-N 2 0 353.511 -0.143 20 0 FBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001333627426 850398046 /nfs/dbraw/zinc/39/80/46/850398046.db2.gz YLKRFRDJWRHJOJ-HRCADAONSA-N 2 0 353.511 -0.143 20 0 FBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001333627427 850397685 /nfs/dbraw/zinc/39/76/85/850397685.db2.gz YLKRFRDJWRHJOJ-JYJNAYRXSA-N 2 0 353.511 -0.143 20 0 FBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2ccc(F)c(S(N)(=O)=O)c2)CC1 ZINC001333671726 850400966 /nfs/dbraw/zinc/40/09/66/850400966.db2.gz NJHZEGJKEDLJIP-CYBMUJFWSA-N 2 0 360.455 -0.829 20 0 FBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2ccc(F)c(S(N)(=O)=O)c2)CC1 ZINC001333671727 850400757 /nfs/dbraw/zinc/40/07/57/850400757.db2.gz NJHZEGJKEDLJIP-ZDUSSCGKSA-N 2 0 360.455 -0.829 20 0 FBADRP CCN(C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)[C@H]1CC[NH2+]C1 ZINC001333914342 850427133 /nfs/dbraw/zinc/42/71/33/850427133.db2.gz UKTPQKRBZAIEDJ-ARFHVFGLSA-N 2 0 352.479 -0.309 20 0 FBADRP CCN(C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)[C@@H]1CC[NH2+]C1 ZINC001333914347 850427256 /nfs/dbraw/zinc/42/72/56/850427256.db2.gz UKTPQKRBZAIEDJ-BZUAXINKSA-N 2 0 352.479 -0.309 20 0 FBADRP CCN(C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)[C@@H]1CC[NH2+]C1 ZINC001333914351 850426689 /nfs/dbraw/zinc/42/66/89/850426689.db2.gz UKTPQKRBZAIEDJ-OAGGEKHMSA-N 2 0 352.479 -0.309 20 0 FBADRP CCN(C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)[C@H]1CC[NH2+]C1 ZINC001333914354 850427336 /nfs/dbraw/zinc/42/73/36/850427336.db2.gz UKTPQKRBZAIEDJ-XHSDSOJGSA-N 2 0 352.479 -0.309 20 0 FBADRP CC[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC001333946971 850428388 /nfs/dbraw/zinc/42/83/88/850428388.db2.gz LDYLDWINTCIWQZ-INIZCTEOSA-N 2 0 352.479 -0.044 20 0 FBADRP CC[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC001333946972 850428471 /nfs/dbraw/zinc/42/84/71/850428471.db2.gz LDYLDWINTCIWQZ-MRXNPFEDSA-N 2 0 352.479 -0.044 20 0 FBADRP CCC1([NH3+])CCN(C(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)CC1 ZINC001333960660 850430475 /nfs/dbraw/zinc/43/04/75/850430475.db2.gz RDBOKIFZGBJURO-UHFFFAOYSA-N 2 0 353.511 -0.140 20 0 FBADRP CN1CC[NH+](C2CCN(C(=O)C(=O)N[C@H]3CCC[C@@H]([NH3+])C3)CC2)CC1 ZINC001333980321 850434188 /nfs/dbraw/zinc/43/41/88/850434188.db2.gz UWHYQEQAIORODA-CABCVRRESA-N 2 0 351.495 -0.389 20 0 FBADRP CN1CC[NH+](C2CCN(C(=O)C(=O)N[C@H]3CCC[C@H]([NH3+])C3)CC2)CC1 ZINC001333980322 850434126 /nfs/dbraw/zinc/43/41/26/850434126.db2.gz UWHYQEQAIORODA-GJZGRUSLSA-N 2 0 351.495 -0.389 20 0 FBADRP CN1CC[NH+](C2CCN(C(=O)C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)CC2)CC1 ZINC001333980323 850434039 /nfs/dbraw/zinc/43/40/39/850434039.db2.gz UWHYQEQAIORODA-HUUCEWRRSA-N 2 0 351.495 -0.389 20 0 FBADRP CN1CC[NH+](C2CCN(C(=O)C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)CC2)CC1 ZINC001333980325 850433992 /nfs/dbraw/zinc/43/39/92/850433992.db2.gz UWHYQEQAIORODA-LSDHHAIUSA-N 2 0 351.495 -0.389 20 0 FBADRP C[NH+](C)CCNC(=O)C1CCN(C(=O)C[C@]2(O)CCC[N@H+](C)C2)CC1 ZINC001333999123 850437499 /nfs/dbraw/zinc/43/74/99/850437499.db2.gz JZAGIINZUVWFAP-GOSISDBHSA-N 2 0 354.495 -0.250 20 0 FBADRP C[NH+](C)CCNC(=O)C1CCN(C(=O)C[C@@]2(O)CCC[N@H+](C)C2)CC1 ZINC001333999124 850437746 /nfs/dbraw/zinc/43/77/46/850437746.db2.gz JZAGIINZUVWFAP-SFHVURJKSA-N 2 0 354.495 -0.250 20 0 FBADRP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC001334004839 850437947 /nfs/dbraw/zinc/43/79/47/850437947.db2.gz GXXJOANLAGZWJA-SHTZXODSSA-N 2 0 352.479 -0.057 20 0 FBADRP O=C(NCCOCCNC(=O)C12CC[NH+](CC1)C2)C12CC[NH+](CC1)C2 ZINC001334009260 850438790 /nfs/dbraw/zinc/43/87/90/850438790.db2.gz CVLBGFGYQOBCOQ-UHFFFAOYSA-N 2 0 350.463 -0.573 20 0 FBADRP C[NH+]1CC[C@@H](CC(=O)NCCOCCNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001334010727 850438928 /nfs/dbraw/zinc/43/89/28/850438928.db2.gz MBXWYNSQSLZXDB-HOTGVXAUSA-N 2 0 354.495 -0.081 20 0 FBADRP C[NH+]1CC[C@H](CC(=O)NCCOCCNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001334010728 850439171 /nfs/dbraw/zinc/43/91/71/850439171.db2.gz MBXWYNSQSLZXDB-HZPDHXFCSA-N 2 0 354.495 -0.081 20 0 FBADRP C[NH+]1CC[C@@H](CC(=O)NCCOCCNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001334010729 850438873 /nfs/dbraw/zinc/43/88/73/850438873.db2.gz MBXWYNSQSLZXDB-IYBDPMFKSA-N 2 0 354.495 -0.081 20 0 FBADRP CCN(C(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1)[C@H]1CC[NH2+]C1 ZINC001334047559 850444495 /nfs/dbraw/zinc/44/44/95/850444495.db2.gz VXDSDCMQRNCFIG-INIZCTEOSA-N 2 0 351.495 -0.565 20 0 FBADRP CCN(C(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1)[C@@H]1CC[NH2+]C1 ZINC001334047561 850444597 /nfs/dbraw/zinc/44/45/97/850444597.db2.gz VXDSDCMQRNCFIG-MRXNPFEDSA-N 2 0 351.495 -0.565 20 0 FBADRP CN(CC[NH+](C)C)C(=O)c1cc(=O)cc(C(=O)N(C)CC[NH+](C)C)o1 ZINC001334208171 850458178 /nfs/dbraw/zinc/45/81/78/850458178.db2.gz KZAYKSONNDFHKB-UHFFFAOYSA-N 2 0 352.435 -0.093 20 0 FBADRP O=C(CNC(=O)N1CCC([NH2+]C2CCOCC2)CC1)N1CC[NH2+]CC1 ZINC001334213416 850459661 /nfs/dbraw/zinc/45/96/61/850459661.db2.gz PFSDBYNOXYAEHD-UHFFFAOYSA-N 2 0 353.467 -0.639 20 0 FBADRP [NH3+]C[C@H]1CN(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)CCO1 ZINC001334240554 850463229 /nfs/dbraw/zinc/46/32/29/850463229.db2.gz HUVUDXLJMKMFAW-CVEARBPZSA-N 2 0 355.483 -0.848 20 0 FBADRP [NH3+]C[C@H]1CN(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CCO1 ZINC001334240556 850463156 /nfs/dbraw/zinc/46/31/56/850463156.db2.gz HUVUDXLJMKMFAW-HOTGVXAUSA-N 2 0 355.483 -0.848 20 0 FBADRP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)CCO1 ZINC001334240557 850462763 /nfs/dbraw/zinc/46/27/63/850462763.db2.gz HUVUDXLJMKMFAW-HZPDHXFCSA-N 2 0 355.483 -0.848 20 0 FBADRP [NH3+]C[C@@H]1CN(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CCO1 ZINC001334240559 850463187 /nfs/dbraw/zinc/46/31/87/850463187.db2.gz HUVUDXLJMKMFAW-JKSUJKDBSA-N 2 0 355.483 -0.848 20 0 FBADRP [NH3+][C@@H]1CN(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CC[C@H]1F ZINC001334240821 850463103 /nfs/dbraw/zinc/46/31/03/850463103.db2.gz JBYRUTDDRWNXRJ-ARFHVFGLSA-N 2 0 357.474 -0.136 20 0 FBADRP [NH3+][C@@H]1CN(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)CC[C@H]1F ZINC001334240835 850463136 /nfs/dbraw/zinc/46/31/36/850463136.db2.gz JBYRUTDDRWNXRJ-BZUAXINKSA-N 2 0 357.474 -0.136 20 0 FBADRP CC[C@H](C(=O)N1CC(CCO)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)[NH+](C)C ZINC001334624518 850513821 /nfs/dbraw/zinc/51/38/21/850513821.db2.gz PNULXUQOXUYRHU-RBSFLKMASA-N 2 0 354.495 -0.254 20 0 FBADRP CN1CC[C@H]([NH+]2CCC(NC(=O)COC3CC[NH+](C)CC3)CC2)C1=O ZINC001334717998 850525384 /nfs/dbraw/zinc/52/53/84/850525384.db2.gz IJVXKDXTHBHBJD-INIZCTEOSA-N 2 0 352.479 -0.092 20 0 FBADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)COC3CC[NH+](C)CC3)CC2)C1=O ZINC001334717999 850525757 /nfs/dbraw/zinc/52/57/57/850525757.db2.gz IJVXKDXTHBHBJD-MRXNPFEDSA-N 2 0 352.479 -0.092 20 0 FBADRP C[NH+](C)C1(CNC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)CCC1 ZINC001334747673 850528545 /nfs/dbraw/zinc/52/85/45/850528545.db2.gz RNTLAEYPHUQMET-HNNXBMFYSA-N 2 0 352.479 -0.044 20 0 FBADRP C[NH+](C)C1(CNC(=O)C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)CCC1 ZINC001334747676 850529156 /nfs/dbraw/zinc/52/91/56/850529156.db2.gz RNTLAEYPHUQMET-OAHLLOKOSA-N 2 0 352.479 -0.044 20 0 FBADRP C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)C(=O)N3CCCO[C@@H](C[NH3+])C3)C[C@H]2C1 ZINC001334756971 850530259 /nfs/dbraw/zinc/53/02/59/850530259.db2.gz GHDUTCQFDIUQJR-FPCVCCKLSA-N 2 0 352.479 -0.249 20 0 FBADRP C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)C(=O)N3CCCO[C@H](C[NH3+])C3)C[C@H]2C1 ZINC001334756972 850530350 /nfs/dbraw/zinc/53/03/50/850530350.db2.gz GHDUTCQFDIUQJR-KLHDSHLOSA-N 2 0 352.479 -0.249 20 0 FBADRP C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)C(=O)N3CCCO[C@H](C[NH3+])C3)C[C@@H]2C1 ZINC001334756973 850530230 /nfs/dbraw/zinc/53/02/30/850530230.db2.gz GHDUTCQFDIUQJR-QKPAOTATSA-N 2 0 352.479 -0.249 20 0 FBADRP C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)C(=O)N3CCCO[C@@H](C[NH3+])C3)C[C@@H]2C1 ZINC001334756974 850529943 /nfs/dbraw/zinc/52/99/43/850529943.db2.gz GHDUTCQFDIUQJR-QXSJWSMHSA-N 2 0 352.479 -0.249 20 0 FBADRP NS(=O)(=O)c1ccc(C2CC[NH+](CC(=O)N3CC[NH2+]CC3)CC2)cc1 ZINC001334764732 850530977 /nfs/dbraw/zinc/53/09/77/850530977.db2.gz ZTAVEFAMVKGSEG-UHFFFAOYSA-N 2 0 366.487 -0.055 20 0 FBADRP CN1CCN(C(=O)C(=O)N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)[C@@H](C[NH3+])C1 ZINC001334779771 850532049 /nfs/dbraw/zinc/53/20/49/850532049.db2.gz QODMRJCTBBHQCP-FZKCQIBNSA-N 2 0 351.495 -0.724 20 0 FBADRP CN1CCN(C(=O)C(=O)N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)[C@@H](C[NH3+])C1 ZINC001334779777 850532390 /nfs/dbraw/zinc/53/23/90/850532390.db2.gz QODMRJCTBBHQCP-VGWMRTNUSA-N 2 0 351.495 -0.724 20 0 FBADRP CN1CCN(C(=O)C(=O)N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)[C@H](C[NH3+])C1 ZINC001334779779 850531929 /nfs/dbraw/zinc/53/19/29/850531929.db2.gz QODMRJCTBBHQCP-XUWVNRHRSA-N 2 0 351.495 -0.724 20 0 FBADRP CN1CCN(C(=O)C(=O)N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)[C@H](C[NH3+])C1 ZINC001334779781 850532422 /nfs/dbraw/zinc/53/24/22/850532422.db2.gz QODMRJCTBBHQCP-YHUYYLMFSA-N 2 0 351.495 -0.724 20 0 FBADRP CN(C[C@@H](O)CNC(=O)C1CC[NH+](C)CC1)C(=O)C1CC[NH+](C)CC1 ZINC001334917326 850547804 /nfs/dbraw/zinc/54/78/04/850547804.db2.gz BMYOMVKQJPXPOU-INIZCTEOSA-N 2 0 354.495 -0.395 20 0 FBADRP CN(C[C@H](O)CNC(=O)C1CC[NH+](C)CC1)C(=O)C1CC[NH+](C)CC1 ZINC001334917327 850547796 /nfs/dbraw/zinc/54/77/96/850547796.db2.gz BMYOMVKQJPXPOU-MRXNPFEDSA-N 2 0 354.495 -0.395 20 0 FBADRP CN(Cc1cccc(=O)[nH]1)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC001334938566 850550058 /nfs/dbraw/zinc/55/00/58/850550058.db2.gz GQDHTYYLXGGPHO-UHFFFAOYSA-N 2 0 351.451 -0.303 20 0 FBADRP CN(C[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2)C(=O)C12CC[NH+](CC1)C2 ZINC001334944970 850551462 /nfs/dbraw/zinc/55/14/62/850551462.db2.gz PHYLOBGCNLHAJL-AWEZNQCLSA-N 2 0 350.463 -0.887 20 0 FBADRP CN(C[C@H](O)CNC(=O)C12CC[NH+](CC1)C2)C(=O)C12CC[NH+](CC1)C2 ZINC001334944980 850551382 /nfs/dbraw/zinc/55/13/82/850551382.db2.gz PHYLOBGCNLHAJL-CQSZACIVSA-N 2 0 350.463 -0.887 20 0 FBADRP C[C@H]1CCOCCN1C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001335039762 850568468 /nfs/dbraw/zinc/56/84/68/850568468.db2.gz OMGJCJQACKOSTA-ARFHVFGLSA-N 2 0 354.495 -0.178 20 0 FBADRP C[C@@H]1CCOCCN1C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001335039764 850568661 /nfs/dbraw/zinc/56/86/61/850568661.db2.gz OMGJCJQACKOSTA-BZUAXINKSA-N 2 0 354.495 -0.178 20 0 FBADRP COC1CCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC1 ZINC001335040913 850568414 /nfs/dbraw/zinc/56/84/14/850568414.db2.gz ZXPIAVVNPPVSFH-HUUCEWRRSA-N 2 0 354.495 -0.178 20 0 FBADRP COC(=O)[C@@H]1CC[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC001335045237 850569781 /nfs/dbraw/zinc/56/97/81/850569781.db2.gz DDDWIRHGZAWIAB-KGLIPLIRSA-N 2 0 356.467 -0.604 20 0 FBADRP C[Si](C)(CC[NH+]1C[C@@H](CO)[C@H](CO)C1)CC[NH+]1C[C@@H](CO)[C@H](CO)C1 ZINC001335055626 850570723 /nfs/dbraw/zinc/57/07/23/850570723.db2.gz KDPXSMPOFDGBIU-XSLAGTTESA-N 2 0 374.598 -0.240 20 0 FBADRP C[C@@H]1[C@H](O)CCCN1C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001335091654 850580438 /nfs/dbraw/zinc/58/04/38/850580438.db2.gz BDUSPQDQIMVTCM-KLHDSHLOSA-N 2 0 354.495 -0.444 20 0 FBADRP CO[C@H]1CC[C@H]1N(C)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001335106250 850583335 /nfs/dbraw/zinc/58/33/35/850583335.db2.gz ILJYFEHJYJTYMK-FPCVCCKLSA-N 2 0 354.495 -0.180 20 0 FBADRP CO[C@@H]1CC[C@H]1N(C)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001335106251 850583839 /nfs/dbraw/zinc/58/38/39/850583839.db2.gz ILJYFEHJYJTYMK-KLHDSHLOSA-N 2 0 354.495 -0.180 20 0 FBADRP CO[C@@H]1CC[C@@H]1N(C)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001335106252 850583483 /nfs/dbraw/zinc/58/34/83/850583483.db2.gz ILJYFEHJYJTYMK-LVQVYYBASA-N 2 0 354.495 -0.180 20 0 FBADRP CO[C@H]1CC[C@@H]1N(C)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001335106253 850583587 /nfs/dbraw/zinc/58/35/87/850583587.db2.gz ILJYFEHJYJTYMK-WCVJEAGWSA-N 2 0 354.495 -0.180 20 0 FBADRP C[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCO1 ZINC001335107824 850583445 /nfs/dbraw/zinc/58/34/45/850583445.db2.gz NSWZGEHNUXIYON-ARFHVFGLSA-N 2 0 354.495 -0.178 20 0 FBADRP C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCO1 ZINC001335107825 850583419 /nfs/dbraw/zinc/58/34/19/850583419.db2.gz NSWZGEHNUXIYON-BZUAXINKSA-N 2 0 354.495 -0.178 20 0 FBADRP COCC[NH+]1CCC(NC(=O)C(=O)N(C)C2(C[NH3+])CCOCC2)CC1 ZINC001335170175 850594878 /nfs/dbraw/zinc/59/48/78/850594878.db2.gz SNRBVUPMOPKIIP-UHFFFAOYSA-N 2 0 356.467 -0.820 20 0 FBADRP [NH3+]CC[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC001335183601 850596626 /nfs/dbraw/zinc/59/66/26/850596626.db2.gz IGAOQJNFUUCOLI-CABCVRRESA-N 2 0 352.479 -0.199 20 0 FBADRP [NH3+]CC[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC001335183602 850596798 /nfs/dbraw/zinc/59/67/98/850596798.db2.gz IGAOQJNFUUCOLI-GJZGRUSLSA-N 2 0 352.479 -0.199 20 0 FBADRP [NH3+]CC[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC001335183604 850596883 /nfs/dbraw/zinc/59/68/83/850596883.db2.gz IGAOQJNFUUCOLI-HUUCEWRRSA-N 2 0 352.479 -0.199 20 0 FBADRP [NH3+]CC[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC001335183607 850596811 /nfs/dbraw/zinc/59/68/11/850596811.db2.gz IGAOQJNFUUCOLI-LSDHHAIUSA-N 2 0 352.479 -0.199 20 0 FBADRP O=C(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001335183919 850597323 /nfs/dbraw/zinc/59/73/23/850597323.db2.gz KNRJLADGFVEFOR-ARLBYUKCSA-N 2 0 350.463 -0.387 20 0 FBADRP O=C(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001335183920 850597419 /nfs/dbraw/zinc/59/74/19/850597419.db2.gz KNRJLADGFVEFOR-SLBVQIDZSA-N 2 0 350.463 -0.387 20 0 FBADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N2CC[C@H](CC[NH3+])C2)CC1 ZINC001335187000 850597471 /nfs/dbraw/zinc/59/74/71/850597471.db2.gz LEPCFXALSNBRBU-INIZCTEOSA-N 2 0 353.511 -0.282 20 0 FBADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)CC1 ZINC001335187003 850597812 /nfs/dbraw/zinc/59/78/12/850597812.db2.gz LEPCFXALSNBRBU-MRXNPFEDSA-N 2 0 353.511 -0.282 20 0 FBADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC001335188332 850597703 /nfs/dbraw/zinc/59/77/03/850597703.db2.gz RIKZDUYNIIEJGC-HZPDHXFCSA-N 2 0 353.511 -0.508 20 0 FBADRP CN(C(=O)C(=O)NCCCC[NH+]1CCOCC1)C1(C[NH3+])CCOCC1 ZINC001335188771 850597883 /nfs/dbraw/zinc/59/78/83/850597883.db2.gz SZRLFQPQOIUTDD-UHFFFAOYSA-N 2 0 356.467 -0.819 20 0 FBADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC1 ZINC001335189426 850598334 /nfs/dbraw/zinc/59/83/34/850598334.db2.gz WGHNYKHHBUKBOV-OWCLPIDISA-N 2 0 351.495 -0.471 20 0 FBADRP CN1CC[NH+](CCCCNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC001335189904 850598816 /nfs/dbraw/zinc/59/88/16/850598816.db2.gz YJIJDHVYCBCORA-JKSUJKDBSA-N 2 0 351.495 -0.802 20 0 FBADRP [NH3+]CC[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC001335208243 850601147 /nfs/dbraw/zinc/60/11/47/850601147.db2.gz TWCVKQSUVXSOBP-GDBMZVCRSA-N 2 0 352.479 -0.057 20 0 FBADRP [NH3+]CC[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC001335208247 850600904 /nfs/dbraw/zinc/60/09/04/850600904.db2.gz TWCVKQSUVXSOBP-GOEBONIOSA-N 2 0 352.479 -0.057 20 0 FBADRP [NH3+]CC[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC001335208249 850600786 /nfs/dbraw/zinc/60/07/86/850600786.db2.gz TWCVKQSUVXSOBP-HOCLYGCPSA-N 2 0 352.479 -0.057 20 0 FBADRP [NH3+]CC[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC001335208251 850600888 /nfs/dbraw/zinc/60/08/88/850600888.db2.gz TWCVKQSUVXSOBP-ZBFHGGJFSA-N 2 0 352.479 -0.057 20 0 FBADRP [NH3+]CC[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC001335208853 850600775 /nfs/dbraw/zinc/60/07/75/850600775.db2.gz ZSQDCVDKGGCEAJ-BMFZPTHFSA-N 2 0 352.479 -0.322 20 0 FBADRP [NH3+]CC[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC001335208856 850600834 /nfs/dbraw/zinc/60/08/34/850600834.db2.gz ZSQDCVDKGGCEAJ-FVQBIDKESA-N 2 0 352.479 -0.322 20 0 FBADRP [NH3+]CC[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C1 ZINC001335208859 850601250 /nfs/dbraw/zinc/60/12/50/850601250.db2.gz ZSQDCVDKGGCEAJ-KBMXLJTQSA-N 2 0 352.479 -0.322 20 0 FBADRP [NH3+]CC[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C1 ZINC001335208861 850601097 /nfs/dbraw/zinc/60/10/97/850601097.db2.gz ZSQDCVDKGGCEAJ-VNQPRFMTSA-N 2 0 352.479 -0.322 20 0 FBADRP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001335221721 850603932 /nfs/dbraw/zinc/60/39/32/850603932.db2.gz KNRJLADGFVEFOR-DMRZNYOFSA-N 2 0 350.463 -0.387 20 0 FBADRP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001335221723 850603746 /nfs/dbraw/zinc/60/37/46/850603746.db2.gz KNRJLADGFVEFOR-DRPJVOAASA-N 2 0 350.463 -0.387 20 0 FBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001335223436 850604273 /nfs/dbraw/zinc/60/42/73/850604273.db2.gz PLSNYUPQUXOBRW-ILXRZTDVSA-N 2 0 352.479 -0.425 20 0 FBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001335223438 850604195 /nfs/dbraw/zinc/60/41/95/850604195.db2.gz PLSNYUPQUXOBRW-KFWWJZLASA-N 2 0 352.479 -0.425 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)C[C@H]1CC[NH3+] ZINC001335224233 850605100 /nfs/dbraw/zinc/60/51/00/850605100.db2.gz ROZJDSCHBYCQTC-HZPDHXFCSA-N 2 0 353.511 -0.427 20 0 FBADRP CCN1CC[NH+](CCCCNC(=O)C(=O)NC[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC001335226136 850605222 /nfs/dbraw/zinc/60/52/22/850605222.db2.gz XZOOTLBOPVKWNB-CVEARBPZSA-N 2 0 353.511 -0.508 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC[C@@H]1C[NH3+] ZINC001335240805 850608294 /nfs/dbraw/zinc/60/82/94/850608294.db2.gz KGTRZTVNEYIARW-FMKPAKJESA-N 2 0 352.479 -0.201 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC[C@@H]1C[NH3+] ZINC001335240806 850608360 /nfs/dbraw/zinc/60/83/60/850608360.db2.gz KGTRZTVNEYIARW-IIAWOOMASA-N 2 0 352.479 -0.201 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC[C@H]1C[NH3+] ZINC001335240807 850608353 /nfs/dbraw/zinc/60/83/53/850608353.db2.gz KGTRZTVNEYIARW-IJEWVQPXSA-N 2 0 352.479 -0.201 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC[C@H]1C[NH3+] ZINC001335240808 850608325 /nfs/dbraw/zinc/60/83/25/850608325.db2.gz KGTRZTVNEYIARW-YCPHGPKFSA-N 2 0 352.479 -0.201 20 0 FBADRP O=C(C[C@]1(O)CCC[NH2+]C1)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001335298189 850617067 /nfs/dbraw/zinc/61/70/67/850617067.db2.gz CECJJXFUIUSZLX-JKIFEVAISA-N 2 0 352.435 -0.725 20 0 FBADRP O=C(C[C@@]1(O)CCC[NH2+]C1)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001335298190 850617410 /nfs/dbraw/zinc/61/74/10/850617410.db2.gz CECJJXFUIUSZLX-KEYYUXOJSA-N 2 0 352.435 -0.725 20 0 FBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001335300726 850618067 /nfs/dbraw/zinc/61/80/67/850618067.db2.gz CMZUDDOIFYGGJS-ARFHVFGLSA-N 2 0 354.495 -0.131 20 0 FBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001335300728 850618316 /nfs/dbraw/zinc/61/83/16/850618316.db2.gz CMZUDDOIFYGGJS-HRCADAONSA-N 2 0 354.495 -0.131 20 0 FBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001335300730 850618215 /nfs/dbraw/zinc/61/82/15/850618215.db2.gz CMZUDDOIFYGGJS-JYJNAYRXSA-N 2 0 354.495 -0.131 20 0 FBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001335300732 850618324 /nfs/dbraw/zinc/61/83/24/850618324.db2.gz CMZUDDOIFYGGJS-XHSDSOJGSA-N 2 0 354.495 -0.131 20 0 FBADRP CC1(C)C[NH2+]C[C@H]1NC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001335300856 850617941 /nfs/dbraw/zinc/61/79/41/850617941.db2.gz HBMAQVMWMWBUMB-HZSPNIEDSA-N 2 0 351.451 -0.049 20 0 FBADRP CC1(C)C[NH2+]C[C@@H]1NC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001335300857 850618028 /nfs/dbraw/zinc/61/80/28/850618028.db2.gz HBMAQVMWMWBUMB-RDBSUJKOSA-N 2 0 351.451 -0.049 20 0 FBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001335305380 850619434 /nfs/dbraw/zinc/61/94/34/850619434.db2.gz YGWSEPHGVBWVEJ-FZKCQIBNSA-N 2 0 352.479 -0.378 20 0 FBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001335305382 850619562 /nfs/dbraw/zinc/61/95/62/850619562.db2.gz YGWSEPHGVBWVEJ-JJXSEGSLSA-N 2 0 352.479 -0.378 20 0 FBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001335305384 850619588 /nfs/dbraw/zinc/61/95/88/850619588.db2.gz YGWSEPHGVBWVEJ-JONQDZQNSA-N 2 0 352.479 -0.378 20 0 FBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001335305386 850619553 /nfs/dbraw/zinc/61/95/53/850619553.db2.gz YGWSEPHGVBWVEJ-VGWMRTNUSA-N 2 0 352.479 -0.378 20 0 FBADRP [NH3+]Cc1nc(CC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cs1 ZINC001335307976 850619357 /nfs/dbraw/zinc/61/93/57/850619357.db2.gz IEEPAOCYAUEQTL-GFCCVEGCSA-N 2 0 351.476 -0.185 20 0 FBADRP [NH3+]Cc1nc(CC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cs1 ZINC001335307978 850619397 /nfs/dbraw/zinc/61/93/97/850619397.db2.gz IEEPAOCYAUEQTL-LBPRGKRZSA-N 2 0 351.476 -0.185 20 0 FBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2cnc(N3CCOCC3)s2)CC1 ZINC001335318067 850620557 /nfs/dbraw/zinc/62/05/57/850620557.db2.gz UJIXUQFNSFJNHY-AWEZNQCLSA-N 2 0 355.508 -0.322 20 0 FBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2cnc(N3CCOCC3)s2)CC1 ZINC001335318069 850620296 /nfs/dbraw/zinc/62/02/96/850620296.db2.gz UJIXUQFNSFJNHY-CQSZACIVSA-N 2 0 355.508 -0.322 20 0 FBADRP COC(=O)c1cc2n(n1)CCC[C@@H]2[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001335319070 850620621 /nfs/dbraw/zinc/62/06/21/850620621.db2.gz KWYZXDOJGWXMQX-KBPBESRZSA-N 2 0 351.451 -0.298 20 0 FBADRP COC(=O)c1cc2n(n1)CCC[C@@H]2[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001335319071 850620395 /nfs/dbraw/zinc/62/03/95/850620395.db2.gz KWYZXDOJGWXMQX-KGLIPLIRSA-N 2 0 351.451 -0.298 20 0 FBADRP COC(=O)c1cc2n(n1)CCC[C@H]2[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001335319072 850620370 /nfs/dbraw/zinc/62/03/70/850620370.db2.gz KWYZXDOJGWXMQX-UONOGXRCSA-N 2 0 351.451 -0.298 20 0 FBADRP COC(=O)c1cc2n(n1)CCC[C@H]2[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001335319073 850620516 /nfs/dbraw/zinc/62/05/16/850620516.db2.gz KWYZXDOJGWXMQX-ZIAGYGMSSA-N 2 0 351.451 -0.298 20 0 FBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001335337342 850622574 /nfs/dbraw/zinc/62/25/74/850622574.db2.gz NNHGLMRUFXWKCD-OSRDXIQISA-N 2 0 351.451 -0.192 20 0 FBADRP COc1cccc(C(=O)NCC[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)c1 ZINC001335344094 850623623 /nfs/dbraw/zinc/62/36/23/850623623.db2.gz BCMBXDURKOWFHC-INIZCTEOSA-N 2 0 350.463 -0.377 20 0 FBADRP COc1cccc(C(=O)NCC[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)c1 ZINC001335344095 850623394 /nfs/dbraw/zinc/62/33/94/850623394.db2.gz BCMBXDURKOWFHC-MRXNPFEDSA-N 2 0 350.463 -0.377 20 0 FBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2ccc(NS(C)(=O)=O)cc2)CC1 ZINC001335344806 850624442 /nfs/dbraw/zinc/62/44/42/850624442.db2.gz GOVBRYAUUBTXBF-INIZCTEOSA-N 2 0 356.492 -0.244 20 0 FBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2ccc(NS(C)(=O)=O)cc2)CC1 ZINC001335344808 850624695 /nfs/dbraw/zinc/62/46/95/850624695.db2.gz GOVBRYAUUBTXBF-MRXNPFEDSA-N 2 0 356.492 -0.244 20 0 FBADRP COCC[N@H+](C)CCCNC(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001335351530 850625724 /nfs/dbraw/zinc/62/57/24/850625724.db2.gz QFSQUIZRECJJGC-AWEZNQCLSA-N 2 0 356.467 -0.061 20 0 FBADRP COCC[N@H+](C)CCCNC(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001335351531 850625636 /nfs/dbraw/zinc/62/56/36/850625636.db2.gz QFSQUIZRECJJGC-CQSZACIVSA-N 2 0 356.467 -0.061 20 0 FBADRP CC(C)C[C@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)C(=O)NCC[NH+](C)C ZINC001335414519 850631932 /nfs/dbraw/zinc/63/19/32/850631932.db2.gz XSNWXKLNPFHSRA-AWEZNQCLSA-N 2 0 363.524 -0.392 20 0 FBADRP CCNS(=O)(=O)CCNC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001335428095 850632880 /nfs/dbraw/zinc/63/28/80/850632880.db2.gz BSZOXXCUUAAJFB-GASCZTMLSA-N 2 0 373.523 -0.464 20 0 FBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCNCC[NH2+]CC2)CC1 ZINC001335431651 850633901 /nfs/dbraw/zinc/63/39/01/850633901.db2.gz OGXCJXMXEFZOER-UHFFFAOYSA-N 2 0 354.499 -0.867 20 0 FBADRP CN1CC[NH+](CCCCNC(=O)N2CCN(C)CC[N@H+](C)CC2)CC1 ZINC001335471698 850636576 /nfs/dbraw/zinc/63/65/76/850636576.db2.gz PWIMOEISUKABPL-UHFFFAOYSA-N 2 0 354.543 -0.097 20 0 FBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCCCCCN1CC[NH2+]CC1 ZINC001335475451 850636143 /nfs/dbraw/zinc/63/61/43/850636143.db2.gz DIVFYMBWZUPBAB-KRWDZBQOSA-N 2 0 354.543 -0.003 20 0 FBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCCCCCN1CC[NH2+]CC1 ZINC001335475454 850636523 /nfs/dbraw/zinc/63/65/23/850636523.db2.gz DIVFYMBWZUPBAB-QGZVFWFLSA-N 2 0 354.543 -0.003 20 0 FBADRP COCCC[N@H+](C)CCNC(=O)N1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC001335515923 850639932 /nfs/dbraw/zinc/63/99/32/850639932.db2.gz XJZXRAYTCIMHNH-VBQJREDUSA-N 2 0 356.467 -0.123 20 0 FBADRP CS(=O)(=O)N1CCC(NC(=O)C[NH+]2CCC3(CC[NH2+]C3)CC2)CC1 ZINC001335518950 850639715 /nfs/dbraw/zinc/63/97/15/850639715.db2.gz BTYCCVUKSQMVMO-UHFFFAOYSA-N 2 0 358.508 -0.398 20 0 FBADRP O=C(NCCCN1CC[NH2+]CC1)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001335537550 850642202 /nfs/dbraw/zinc/64/22/02/850642202.db2.gz MBQNXSJKBPKGKF-AWEZNQCLSA-N 2 0 353.467 -0.734 20 0 FBADRP O=C(NCCCN1CC[NH2+]CC1)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001335537552 850642644 /nfs/dbraw/zinc/64/26/44/850642644.db2.gz MBQNXSJKBPKGKF-CQSZACIVSA-N 2 0 353.467 -0.734 20 0 FBADRP C[NH+](C)CCOc1cc(CNC(=O)N2CCNCC[NH2+]CC2)ccn1 ZINC001335546429 850643878 /nfs/dbraw/zinc/64/38/78/850643878.db2.gz QNKGHVRMTZVGJC-UHFFFAOYSA-N 2 0 350.467 -0.274 20 0 FBADRP CC[NH+]1CCC(NC(=O)Cn2cc(CN3CCC(O)CC3)nn2)CC1 ZINC001335601360 850653968 /nfs/dbraw/zinc/65/39/68/850653968.db2.gz SWBUISCDEQYNNE-UHFFFAOYSA-N 2 0 350.467 -0.165 20 0 FBADRP CN(C[C@@H]1CCOC1)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001335602870 850654275 /nfs/dbraw/zinc/65/42/75/850654275.db2.gz VQLCBNSZUJLEAH-ARFHVFGLSA-N 2 0 354.495 -0.321 20 0 FBADRP CN(C[C@H]1CCOC1)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001335602871 850653852 /nfs/dbraw/zinc/65/38/52/850653852.db2.gz VQLCBNSZUJLEAH-BZUAXINKSA-N 2 0 354.495 -0.321 20 0 FBADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC001335607886 850655059 /nfs/dbraw/zinc/65/50/59/850655059.db2.gz VTADIPHEYUZWTJ-HUUCEWRRSA-N 2 0 352.483 -0.416 20 0 FBADRP CN1CCOC[C@@H]1CNC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001335617002 850656101 /nfs/dbraw/zinc/65/61/01/850656101.db2.gz DGXIXWYHGFRHGL-BBWFWOEESA-N 2 0 351.495 -0.073 20 0 FBADRP CN1CCOC[C@H]1CNC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001335617004 850656595 /nfs/dbraw/zinc/65/65/95/850656595.db2.gz DGXIXWYHGFRHGL-IXDOHACOSA-N 2 0 351.495 -0.073 20 0 FBADRP O=C(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001335622606 850657618 /nfs/dbraw/zinc/65/76/18/850657618.db2.gz OFOAGPWUMDAXRE-MWDXBVQZSA-N 2 0 351.495 -0.025 20 0 FBADRP O=C(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001335622607 850657464 /nfs/dbraw/zinc/65/74/64/850657464.db2.gz OFOAGPWUMDAXRE-YLFCFFPRSA-N 2 0 351.495 -0.025 20 0 FBADRP CCO[C@H](CNC(=O)N1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1)C[NH+](C)C ZINC001335629185 850658309 /nfs/dbraw/zinc/65/83/09/850658309.db2.gz LJGHBXPLTJRARG-CFAJVAMVSA-N 2 0 356.467 -0.125 20 0 FBADRP CCO[C@@H](CNC(=O)N1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1)C[NH+](C)C ZINC001335629186 850658336 /nfs/dbraw/zinc/65/83/36/850658336.db2.gz LJGHBXPLTJRARG-LOUJCGABSA-N 2 0 356.467 -0.125 20 0 FBADRP O=C(NCCCCCN1CC[NH2+]CC1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001335645209 850662061 /nfs/dbraw/zinc/66/20/61/850662061.db2.gz JJQBSCJKUMCPFC-KRWDZBQOSA-N 2 0 352.527 -0.249 20 0 FBADRP O=C(NCCCCCN1CC[NH2+]CC1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001335645231 850661643 /nfs/dbraw/zinc/66/16/43/850661643.db2.gz JJQBSCJKUMCPFC-QGZVFWFLSA-N 2 0 352.527 -0.249 20 0 FBADRP NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)C[NH+]2CCC(CO)CC2)CC1 ZINC001335753493 850675365 /nfs/dbraw/zinc/67/53/65/850675365.db2.gz OFZURHGVRQDZMN-INIZCTEOSA-N 2 0 352.479 -0.369 20 0 FBADRP NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)C[NH+]2CCC(CO)CC2)CC1 ZINC001335753494 850675474 /nfs/dbraw/zinc/67/54/74/850675474.db2.gz OFZURHGVRQDZMN-MRXNPFEDSA-N 2 0 352.479 -0.369 20 0 FBADRP [NH3+]C1CCN(CCNC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC001335767655 850676690 /nfs/dbraw/zinc/67/66/90/850676690.db2.gz FYKMEZVFCKHJPA-UHFFFAOYSA-N 2 0 351.495 -0.484 20 0 FBADRP C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)C(=O)NCCN3CC[NH2+]CC3)C[C@H]2C1 ZINC001335777631 850677322 /nfs/dbraw/zinc/67/73/22/850677322.db2.gz HQLNRLBBFYGNJC-ARFHVFGLSA-N 2 0 351.495 -0.804 20 0 FBADRP C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)C(=O)NCCN3CC[NH2+]CC3)C[C@H]2C1 ZINC001335777632 850677500 /nfs/dbraw/zinc/67/75/00/850677500.db2.gz HQLNRLBBFYGNJC-BZUAXINKSA-N 2 0 351.495 -0.804 20 0 FBADRP C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)C(=O)NCCN3CC[NH2+]CC3)C[C@@H]2C1 ZINC001335777633 850677647 /nfs/dbraw/zinc/67/76/47/850677647.db2.gz HQLNRLBBFYGNJC-HRCADAONSA-N 2 0 351.495 -0.804 20 0 FBADRP C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)C(=O)NCCN3CC[NH2+]CC3)C[C@@H]2C1 ZINC001335777634 850677275 /nfs/dbraw/zinc/67/72/75/850677275.db2.gz HQLNRLBBFYGNJC-OWCLPIDISA-N 2 0 351.495 -0.804 20 0 FBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C[NH+]2CCC(CO)CC2)CC1 ZINC001335820966 850681890 /nfs/dbraw/zinc/68/18/90/850681890.db2.gz RRRPWQULGLFERY-INIZCTEOSA-N 2 0 352.479 -0.544 20 0 FBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C[NH+]2CCC(CO)CC2)CC1 ZINC001335820967 850682062 /nfs/dbraw/zinc/68/20/62/850682062.db2.gz RRRPWQULGLFERY-MRXNPFEDSA-N 2 0 352.479 -0.544 20 0 FBADRP C[NH+](C)CCNC(=O)C1CCN(C(=O)C[NH+]2CCC(CO)CC2)CC1 ZINC001335824242 850681730 /nfs/dbraw/zinc/68/17/30/850681730.db2.gz GTBLMGSYRUYXCE-UHFFFAOYSA-N 2 0 354.495 -0.393 20 0 FBADRP O=C(COC1CC[NH2+]CC1)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001335842194 850683034 /nfs/dbraw/zinc/68/30/34/850683034.db2.gz GDTFNLFYTVRZIS-CABCVRRESA-N 2 0 352.435 -0.461 20 0 FBADRP COC1(C(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)CC[NH2+]CC1 ZINC001335842798 850683213 /nfs/dbraw/zinc/68/32/13/850683213.db2.gz JQPLOBXVWMLYIM-KGLIPLIRSA-N 2 0 352.435 -0.461 20 0 FBADRP Cc1c(NC(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)nnn1C ZINC001335959215 850694904 /nfs/dbraw/zinc/69/49/04/850694904.db2.gz HNTHDTXNSCMMKQ-CHWSQXEVSA-N 2 0 351.455 -0.740 20 0 FBADRP CN1CC[NH+]([C@H]2CC[C@@H]([NH2+]C[C@@H](O)CN3CC[NH+](C)CC3)CC2)CC1 ZINC001336019314 850700472 /nfs/dbraw/zinc/70/04/72/850700472.db2.gz OTKRQFBORHQHHC-CEXWTWQISA-N 3 0 353.555 -0.257 20 0 FBADRP CN1CC[NH+]([C@H]2CC[C@@H]([NH2+]C[C@H](O)CN3CC[NH+](C)CC3)CC2)CC1 ZINC001336019317 850700349 /nfs/dbraw/zinc/70/03/49/850700349.db2.gz OTKRQFBORHQHHC-OTWHNJEPSA-N 3 0 353.555 -0.257 20 0 FBADRP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001336037737 850702252 /nfs/dbraw/zinc/70/22/52/850702252.db2.gz XXLUOBYFBUXOJT-BBWFWOEESA-N 2 0 351.495 -0.356 20 0 FBADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001336037738 850702453 /nfs/dbraw/zinc/70/24/53/850702453.db2.gz XXLUOBYFBUXOJT-GVDBMIGSSA-N 2 0 351.495 -0.356 20 0 FBADRP CNS(=O)(=O)CCNC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001336081387 850704423 /nfs/dbraw/zinc/70/44/23/850704423.db2.gz FALAAYHNYNUPPT-OKILXGFUSA-N 2 0 359.496 -0.854 20 0 FBADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CC[NH+](CCN2CCCS2(=O)=O)CC1 ZINC001336095871 850706310 /nfs/dbraw/zinc/70/63/10/850706310.db2.gz OZBXKFWGDQYUMK-UONOGXRCSA-N 2 0 358.464 -0.721 20 0 FBADRP COc1cc(CN2CC[NH2+]CC[NH2+]CC2)cc(OC)c1OCC(N)=O ZINC001336120321 850707017 /nfs/dbraw/zinc/70/70/17/850707017.db2.gz YCJSZXKOORVRJB-UHFFFAOYSA-N 2 0 352.435 -0.437 20 0 FBADRP Cc1nonc1CNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001336125850 850708325 /nfs/dbraw/zinc/70/83/25/850708325.db2.gz QLGMUDMUFAOMLI-GFCCVEGCSA-N 2 0 350.423 -0.721 20 0 FBADRP Cc1nonc1CNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001336125851 850708385 /nfs/dbraw/zinc/70/83/85/850708385.db2.gz QLGMUDMUFAOMLI-LBPRGKRZSA-N 2 0 350.423 -0.721 20 0 FBADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3C[C@H]4CC[C@@H](C3)O4)C2)CC1 ZINC001336126754 850708164 /nfs/dbraw/zinc/70/81/64/850708164.db2.gz WGWFJAZNLIJYMD-BMFZPTHFSA-N 2 0 350.463 -0.339 20 0 FBADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3C[C@H]4CC[C@@H](C3)O4)C2)CC1 ZINC001336126755 850708236 /nfs/dbraw/zinc/70/82/36/850708236.db2.gz WGWFJAZNLIJYMD-CWRNSKLLSA-N 2 0 350.463 -0.339 20 0 FBADRP COC[C@H]1C[NH2+]CCN1C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC001336132000 850708300 /nfs/dbraw/zinc/70/83/00/850708300.db2.gz CXYYDFYVKTZTBX-NEPJUHHUSA-N 2 0 353.389 -0.548 20 0 FBADRP COC[C@@H]1C[NH2+]CCN1C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC001336132001 850708133 /nfs/dbraw/zinc/70/81/33/850708133.db2.gz CXYYDFYVKTZTBX-NWDGAFQWSA-N 2 0 353.389 -0.548 20 0 FBADRP COC[C@@H]1C[NH2+]CCN1C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC001336132002 850707978 /nfs/dbraw/zinc/70/79/78/850707978.db2.gz CXYYDFYVKTZTBX-RYUDHWBXSA-N 2 0 353.389 -0.548 20 0 FBADRP COC[C@H]1C[NH2+]CCN1C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC001336132003 850708622 /nfs/dbraw/zinc/70/86/22/850708622.db2.gz CXYYDFYVKTZTBX-VXGBXAGGSA-N 2 0 353.389 -0.548 20 0 FBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2cn(C(C)(C)C)c(=O)[nH]c2=O)CC1 ZINC001336150837 850711152 /nfs/dbraw/zinc/71/11/52/850711152.db2.gz HRPZVVRGVZYMLD-AWEZNQCLSA-N 2 0 353.467 -0.598 20 0 FBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2cn(C(C)(C)C)c(=O)[nH]c2=O)CC1 ZINC001336150839 850711393 /nfs/dbraw/zinc/71/13/93/850711393.db2.gz HRPZVVRGVZYMLD-CQSZACIVSA-N 2 0 353.467 -0.598 20 0 FBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CC[NH2+]C[C@H]2COC)CC1 ZINC001336151050 850711378 /nfs/dbraw/zinc/71/13/78/850711378.db2.gz ONDYIWGJJKMXBG-HNNXBMFYSA-N 2 0 355.483 -0.393 20 0 FBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CC[NH2+]C[C@@H]2COC)CC1 ZINC001336151051 850711249 /nfs/dbraw/zinc/71/12/49/850711249.db2.gz ONDYIWGJJKMXBG-OAHLLOKOSA-N 2 0 355.483 -0.393 20 0 FBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CCNCC[NH2+]CC2)CC1 ZINC001336152620 850711116 /nfs/dbraw/zinc/71/11/16/850711116.db2.gz YQHFIRKJAJOSCL-UHFFFAOYSA-N 2 0 354.499 -0.819 20 0 FBADRP O=C(NCCCCCN1CC[NH2+]CC1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001336193991 850717404 /nfs/dbraw/zinc/71/74/04/850717404.db2.gz RZKUOVJUBTWJGL-KRWDZBQOSA-N 2 0 352.527 -0.249 20 0 FBADRP O=C(NCCCCCN1CC[NH2+]CC1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001336193992 850717449 /nfs/dbraw/zinc/71/74/49/850717449.db2.gz RZKUOVJUBTWJGL-QGZVFWFLSA-N 2 0 352.527 -0.249 20 0 FBADRP COCC[C@H]1C[NH2+]CCN1C(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001336194818 850717481 /nfs/dbraw/zinc/71/74/81/850717481.db2.gz YEGOJQOXINGTNL-KBPBESRZSA-N 2 0 354.451 -0.308 20 0 FBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001336194819 850717761 /nfs/dbraw/zinc/71/77/61/850717761.db2.gz YEGOJQOXINGTNL-KGLIPLIRSA-N 2 0 354.451 -0.308 20 0 FBADRP COCC[C@H]1C[NH2+]CCN1C(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001336194820 850717676 /nfs/dbraw/zinc/71/76/76/850717676.db2.gz YEGOJQOXINGTNL-UONOGXRCSA-N 2 0 354.451 -0.308 20 0 FBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001336194821 850717629 /nfs/dbraw/zinc/71/76/29/850717629.db2.gz YEGOJQOXINGTNL-ZIAGYGMSSA-N 2 0 354.451 -0.308 20 0 FBADRP [NH3+]C1CC2(C1)CC(NC(=O)N[C@H]1CC[N@H+](CCN3CCOCC3)C1)C2 ZINC001336225945 850720233 /nfs/dbraw/zinc/72/02/33/850720233.db2.gz UCABQQRRAXGLIQ-CKXUZFMQSA-N 2 0 351.495 -0.038 20 0 FBADRP [NH3+]C1CC2(C1)CC(NC(=O)N[C@@H]1CC[N@H+](CCN3CCOCC3)C1)C2 ZINC001336225946 850720591 /nfs/dbraw/zinc/72/05/91/850720591.db2.gz UCABQQRRAXGLIQ-ZWIHVQRSSA-N 2 0 351.495 -0.038 20 0 FBADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)C1 ZINC001336228756 850721535 /nfs/dbraw/zinc/72/15/35/850721535.db2.gz IBTHYOQBLACBPL-GDBMZVCRSA-N 2 0 352.479 -0.234 20 0 FBADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)C1 ZINC001336228758 850721786 /nfs/dbraw/zinc/72/17/86/850721786.db2.gz IBTHYOQBLACBPL-GOEBONIOSA-N 2 0 352.479 -0.234 20 0 FBADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)C1 ZINC001336228760 850721869 /nfs/dbraw/zinc/72/18/69/850721869.db2.gz IBTHYOQBLACBPL-HOCLYGCPSA-N 2 0 352.479 -0.234 20 0 FBADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)C1 ZINC001336228762 850721695 /nfs/dbraw/zinc/72/16/95/850721695.db2.gz IBTHYOQBLACBPL-ZBFHGGJFSA-N 2 0 352.479 -0.234 20 0 FBADRP C[NH+]1CCN(CCCS(=O)(=O)N2CC[NH2+]CCC23CCOCC3)CC1 ZINC001336276305 850725782 /nfs/dbraw/zinc/72/57/82/850725782.db2.gz GTUFOZFIPZUXLS-UHFFFAOYSA-N 2 0 374.551 -0.202 20 0 FBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001336276505 850725604 /nfs/dbraw/zinc/72/56/04/850725604.db2.gz JZQVKJRLOJEHPD-ARFHVFGLSA-N 2 0 354.495 -0.131 20 0 FBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001336276506 850725698 /nfs/dbraw/zinc/72/56/98/850725698.db2.gz JZQVKJRLOJEHPD-HRCADAONSA-N 2 0 354.495 -0.131 20 0 FBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001336276507 850725512 /nfs/dbraw/zinc/72/55/12/850725512.db2.gz JZQVKJRLOJEHPD-JYJNAYRXSA-N 2 0 354.495 -0.131 20 0 FBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001336276508 850725905 /nfs/dbraw/zinc/72/59/05/850725905.db2.gz JZQVKJRLOJEHPD-XHSDSOJGSA-N 2 0 354.495 -0.131 20 0 FBADRP CCOC(=O)[C@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC001336442212 850745830 /nfs/dbraw/zinc/74/58/30/850745830.db2.gz NDENGOBZJBZIRB-AWEZNQCLSA-N 2 0 356.467 -0.650 20 0 FBADRP CCOC(=O)[C@@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC001336442214 850745985 /nfs/dbraw/zinc/74/59/85/850745985.db2.gz NDENGOBZJBZIRB-CQSZACIVSA-N 2 0 356.467 -0.650 20 0 FBADRP C[NH+]1CCC(OCC(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)CC1 ZINC001336496850 850753268 /nfs/dbraw/zinc/75/32/68/850753268.db2.gz QIUHQWUXUIEUIE-UHFFFAOYSA-N 2 0 355.479 -0.217 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C[C@H]1C[NH3+] ZINC001336572575 850763946 /nfs/dbraw/zinc/76/39/46/850763946.db2.gz KOXGNWYHSQNTNK-QLFBSQMISA-N 2 0 352.479 -0.343 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C[C@H]1C[NH3+] ZINC001336572576 850764113 /nfs/dbraw/zinc/76/41/13/850764113.db2.gz KOXGNWYHSQNTNK-RBSFLKMASA-N 2 0 352.479 -0.343 20 0 FBADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC001336573411 850765275 /nfs/dbraw/zinc/76/52/75/850765275.db2.gz OTBPFWAQBYTRDJ-HZPDHXFCSA-N 2 0 353.511 -0.427 20 0 FBADRP C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)C(=O)NCC3([NH3+])CCOCC3)C[C@@H]2C1 ZINC001336600431 850769486 /nfs/dbraw/zinc/76/94/86/850769486.db2.gz NARZVBOFTFMFEG-QLFBSQMISA-N 2 0 352.479 -0.201 20 0 FBADRP C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)C(=O)NCC3([NH3+])CCOCC3)C[C@H]2C1 ZINC001336600433 850768990 /nfs/dbraw/zinc/76/89/90/850768990.db2.gz NARZVBOFTFMFEG-RBSFLKMASA-N 2 0 352.479 -0.201 20 0 FBADRP C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)C(=O)NCC3([NH3+])CCOCC3)C[C@H]2C1 ZINC001336600435 850769461 /nfs/dbraw/zinc/76/94/61/850769461.db2.gz NARZVBOFTFMFEG-RRFJBIMHSA-N 2 0 352.479 -0.201 20 0 FBADRP C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)C(=O)NCC3([NH3+])CCOCC3)C[C@@H]2C1 ZINC001336600437 850769147 /nfs/dbraw/zinc/76/91/47/850769147.db2.gz NARZVBOFTFMFEG-SOUVJXGZSA-N 2 0 352.479 -0.201 20 0 FBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H]4[C@H]3CCC[NH+]4CCO)C[C@@H]21 ZINC001336605516 850770583 /nfs/dbraw/zinc/77/05/83/850770583.db2.gz SDQZCIXLSCFFCL-FPCVCCKLSA-N 2 0 350.463 -0.794 20 0 FBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@H]4[C@H]3CCC[NH+]4CCO)C[C@@H]21 ZINC001336605519 850769982 /nfs/dbraw/zinc/76/99/82/850769982.db2.gz SDQZCIXLSCFFCL-QXSJWSMHSA-N 2 0 350.463 -0.794 20 0 FBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@H]4[C@@H]3CCC[NH+]4CCO)C[C@@H]21 ZINC001336605521 850770755 /nfs/dbraw/zinc/77/07/55/850770755.db2.gz SDQZCIXLSCFFCL-UGUYLWEFSA-N 2 0 350.463 -0.794 20 0 FBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H]4[C@@H]3CCC[NH+]4CCO)C[C@@H]21 ZINC001336605523 850770257 /nfs/dbraw/zinc/77/02/57/850770257.db2.gz SDQZCIXLSCFFCL-WCVJEAGWSA-N 2 0 350.463 -0.794 20 0 FBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001336625882 850773955 /nfs/dbraw/zinc/77/39/55/850773955.db2.gz CKNJBMZCOSHREL-CHWSQXEVSA-N 2 0 354.451 -0.756 20 0 FBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001336626183 850773799 /nfs/dbraw/zinc/77/37/99/850773799.db2.gz CKNJBMZCOSHREL-OLZOCXBDSA-N 2 0 354.451 -0.756 20 0 FBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001336626184 850773388 /nfs/dbraw/zinc/77/33/88/850773388.db2.gz CKNJBMZCOSHREL-QWHCGFSZSA-N 2 0 354.451 -0.756 20 0 FBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001336626185 850773827 /nfs/dbraw/zinc/77/38/27/850773827.db2.gz CKNJBMZCOSHREL-STQMWFEESA-N 2 0 354.451 -0.756 20 0 FBADRP [NH3+][C@@H]1CC[C@H](CNC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC001336626629 850773612 /nfs/dbraw/zinc/77/36/12/850773612.db2.gz GRTDNJGSXYXFSG-LZWOXQAQSA-N 2 0 352.479 -0.010 20 0 FBADRP [NH3+][C@@H]1CC[C@H](CNC(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC001336626632 850773937 /nfs/dbraw/zinc/77/39/37/850773937.db2.gz GRTDNJGSXYXFSG-SQWLQELKSA-N 2 0 352.479 -0.010 20 0 FBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC3(CO[C@H](C[NH3+])C3)CC2)CC[N@@H+]1C ZINC001336630445 850774480 /nfs/dbraw/zinc/77/44/80/850774480.db2.gz GSEKRFOYHUFHPL-ILXRZTDVSA-N 2 0 352.479 -0.058 20 0 FBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC3(CO[C@H](C[NH3+])C3)CC2)CC[N@@H+]1C ZINC001336630446 850774499 /nfs/dbraw/zinc/77/44/99/850774499.db2.gz GSEKRFOYHUFHPL-KFWWJZLASA-N 2 0 352.479 -0.058 20 0 FBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)CC[N@@H+]1C ZINC001336630447 850774561 /nfs/dbraw/zinc/77/45/61/850774561.db2.gz GSEKRFOYHUFHPL-QLFBSQMISA-N 2 0 352.479 -0.058 20 0 FBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)CC[N@@H+]1C ZINC001336630448 850774715 /nfs/dbraw/zinc/77/47/15/850774715.db2.gz GSEKRFOYHUFHPL-RBSFLKMASA-N 2 0 352.479 -0.058 20 0 FBADRP CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)NCC3([NH3+])CC3)CC2)CC1 ZINC001336633865 850774350 /nfs/dbraw/zinc/77/43/50/850774350.db2.gz MBXHRJGKLCRAQR-UHFFFAOYSA-N 2 0 351.495 -0.389 20 0 FBADRP C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3C[NH2+]CCCO3)C[C@H]2C1 ZINC001336645170 850775702 /nfs/dbraw/zinc/77/57/02/850775702.db2.gz JORRGNQAXRZKSW-FPCVCCKLSA-N 2 0 352.479 -0.330 20 0 FBADRP C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)C(=O)NC[C@H]3C[NH2+]CCCO3)C[C@H]2C1 ZINC001336645171 850775749 /nfs/dbraw/zinc/77/57/49/850775749.db2.gz JORRGNQAXRZKSW-KLHDSHLOSA-N 2 0 352.479 -0.330 20 0 FBADRP C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)C(=O)NC[C@H]3C[NH2+]CCCO3)C[C@@H]2C1 ZINC001336645172 850775572 /nfs/dbraw/zinc/77/55/72/850775572.db2.gz JORRGNQAXRZKSW-QKPAOTATSA-N 2 0 352.479 -0.330 20 0 FBADRP C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3C[NH2+]CCCO3)C[C@@H]2C1 ZINC001336645173 850775838 /nfs/dbraw/zinc/77/58/38/850775838.db2.gz JORRGNQAXRZKSW-QXSJWSMHSA-N 2 0 352.479 -0.330 20 0 FBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)C1 ZINC001336648298 850776469 /nfs/dbraw/zinc/77/64/69/850776469.db2.gz YCYBMTHUEQMDFJ-QLFBSQMISA-N 2 0 352.479 -0.201 20 0 FBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CCC3(CO[C@H](C[NH3+])C3)CC2)C1 ZINC001336648300 850776569 /nfs/dbraw/zinc/77/65/69/850776569.db2.gz YCYBMTHUEQMDFJ-ZNMIVQPWSA-N 2 0 352.479 -0.201 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1C[C@H]1C1CCOCC1 ZINC001336654554 850776751 /nfs/dbraw/zinc/77/67/51/850776751.db2.gz IPMHGYYRZQYROQ-JKSUJKDBSA-N 2 0 354.495 -0.131 20 0 FBADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NCCCCCN2CC[NH2+]CC2)C1 ZINC001336670736 850777519 /nfs/dbraw/zinc/77/75/19/850777519.db2.gz GWGDACUXAKRPSF-INIZCTEOSA-N 2 0 353.511 -0.412 20 0 FBADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)NCCCCCN2CC[NH2+]CC2)C1 ZINC001336670737 850777826 /nfs/dbraw/zinc/77/78/26/850777826.db2.gz GWGDACUXAKRPSF-MRXNPFEDSA-N 2 0 353.511 -0.412 20 0 FBADRP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C2([S@@](C)=O)CC[NH2+]CC2)CC1 ZINC001336721689 850781508 /nfs/dbraw/zinc/78/15/08/850781508.db2.gz OLOJZFHNDQVZFN-IZHWHUGBSA-N 2 0 358.552 -0.123 20 0 FBADRP CC[NH+]1CCN(C[C@H](C)CNC(=O)C2([S@](C)=O)CC[NH2+]CC2)CC1 ZINC001336721690 850781521 /nfs/dbraw/zinc/78/15/21/850781521.db2.gz OLOJZFHNDQVZFN-MYYSRTQBSA-N 2 0 358.552 -0.123 20 0 FBADRP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C2([S@](C)=O)CC[NH2+]CC2)CC1 ZINC001336721691 850781537 /nfs/dbraw/zinc/78/15/37/850781537.db2.gz OLOJZFHNDQVZFN-OWJWWREXSA-N 2 0 358.552 -0.123 20 0 FBADRP CC[NH+]1CCN(C[C@H](C)CNC(=O)C2([S@@](C)=O)CC[NH2+]CC2)CC1 ZINC001336722192 850781440 /nfs/dbraw/zinc/78/14/40/850781440.db2.gz OLOJZFHNDQVZFN-OYLFLEFRSA-N 2 0 358.552 -0.123 20 0 FBADRP CS(=O)(=O)NCCNC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001336723111 850781300 /nfs/dbraw/zinc/78/13/00/850781300.db2.gz SIZSVKUWWFRQJC-OKILXGFUSA-N 2 0 359.496 -0.854 20 0 FBADRP [NH3+]C[C@@H]1[C@H](C(=O)N2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)C1(F)F ZINC001336732306 850781445 /nfs/dbraw/zinc/78/14/45/850781445.db2.gz OEYMBMLCRBHOEE-FDYHWXHSSA-N 2 0 357.405 -0.427 20 0 FBADRP [NH3+]C[C@@H]1[C@H](C(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)C1(F)F ZINC001336732307 850781322 /nfs/dbraw/zinc/78/13/22/850781322.db2.gz OEYMBMLCRBHOEE-FVCCEPFGSA-N 2 0 357.405 -0.427 20 0 FBADRP [NH3+]C[C@@H]1[C@H](C(=O)N2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)C1(F)F ZINC001336732308 850781401 /nfs/dbraw/zinc/78/14/01/850781401.db2.gz OEYMBMLCRBHOEE-MROQNXINSA-N 2 0 357.405 -0.427 20 0 FBADRP [NH3+]C[C@@H]1[C@H](C(=O)N2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)C1(F)F ZINC001336732309 850781437 /nfs/dbraw/zinc/78/14/37/850781437.db2.gz OEYMBMLCRBHOEE-YVECIDJPSA-N 2 0 357.405 -0.427 20 0 FBADRP O=C(C[NH2+]C[C@@H](O)CC1(O)CCOCC1)NCC[NH+]1CCCCCC1 ZINC001336795210 850784484 /nfs/dbraw/zinc/78/44/84/850784484.db2.gz SYJLFEUDONZBBR-INIZCTEOSA-N 2 0 357.495 -0.139 20 0 FBADRP O=C(C[NH2+]C[C@H](O)CC1(O)CCOCC1)NCC[NH+]1CCCCCC1 ZINC001336795211 850784533 /nfs/dbraw/zinc/78/45/33/850784533.db2.gz SYJLFEUDONZBBR-MRXNPFEDSA-N 2 0 357.495 -0.139 20 0 FBADRP O=C(C[NH2+]CC1(O)CCS(=O)(=O)CC1)NCC[NH+]1CCCCCC1 ZINC001336805409 850784136 /nfs/dbraw/zinc/78/41/36/850784136.db2.gz USSBIHYTPYXGDC-UHFFFAOYSA-N 2 0 361.508 -0.492 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001336810206 850785717 /nfs/dbraw/zinc/78/57/17/850785717.db2.gz FSAPIIGTOAURTO-KBPBESRZSA-N 2 0 353.467 -0.783 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001336810207 850785667 /nfs/dbraw/zinc/78/56/67/850785667.db2.gz FSAPIIGTOAURTO-KGLIPLIRSA-N 2 0 353.467 -0.783 20 0 FBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001336810208 850785862 /nfs/dbraw/zinc/78/58/62/850785862.db2.gz FSAPIIGTOAURTO-UONOGXRCSA-N 2 0 353.467 -0.783 20 0 FBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001336810209 850785633 /nfs/dbraw/zinc/78/56/33/850785633.db2.gz FSAPIIGTOAURTO-ZIAGYGMSSA-N 2 0 353.467 -0.783 20 0 FBADRP O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)N1CCNCC[NH2+]CC1 ZINC001336863880 850786813 /nfs/dbraw/zinc/78/68/13/850786813.db2.gz XHUZYBKONHFFKO-DLBZAZTESA-N 2 0 353.511 -0.041 20 0 FBADRP O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)N1CCNCC[NH2+]CC1 ZINC001336863881 850786683 /nfs/dbraw/zinc/78/66/83/850786683.db2.gz XHUZYBKONHFFKO-IAGOWNOFSA-N 2 0 353.511 -0.041 20 0 FBADRP O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)N1CCNCC[NH2+]CC1 ZINC001336863882 850786693 /nfs/dbraw/zinc/78/66/93/850786693.db2.gz XHUZYBKONHFFKO-IRXDYDNUSA-N 2 0 353.511 -0.041 20 0 FBADRP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)N1CCNCC[NH2+]CC1 ZINC001336863883 850787510 /nfs/dbraw/zinc/78/75/10/850787510.db2.gz XHUZYBKONHFFKO-SJORKVTESA-N 2 0 353.511 -0.041 20 0 FBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C(=O)NCC[N@@H+]1CCCOCC1)C2 ZINC001336875911 850787430 /nfs/dbraw/zinc/78/74/30/850787430.db2.gz CDDAELWABHHXBS-VBQJREDUSA-N 2 0 354.451 -0.369 20 0 FBADRP O=C(NCC1(N2CCOCC2)CCOCC1)N1CCNCC[NH2+]CC1 ZINC001336907455 850788728 /nfs/dbraw/zinc/78/87/28/850788728.db2.gz JEINGNQOASYILU-UHFFFAOYSA-N 2 0 355.483 -0.928 20 0 FBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)NCCN3CCC([NH3+])CC3)CC2)C1 ZINC001336940777 850792140 /nfs/dbraw/zinc/79/21/40/850792140.db2.gz HDGIPDLTNZPCIV-KRWDZBQOSA-N 3 0 352.527 -0.169 20 0 FBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)NCCN3CCC([NH3+])CC3)CC2)C1 ZINC001336940778 850792002 /nfs/dbraw/zinc/79/20/02/850792002.db2.gz HDGIPDLTNZPCIV-QGZVFWFLSA-N 3 0 352.527 -0.169 20 0 FBADRP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001336951124 850793049 /nfs/dbraw/zinc/79/30/49/850793049.db2.gz OFOAGPWUMDAXRE-WCXIOVBPSA-N 2 0 351.495 -0.025 20 0 FBADRP O=C(C[NH2+]C[C@H]1CCCO1)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001337077681 850797840 /nfs/dbraw/zinc/79/78/40/850797840.db2.gz JKXSTODVUZCXOW-DLBZAZTESA-N 2 0 354.495 -0.332 20 0 FBADRP O=C(C[NH2+]C[C@H]1CCCO1)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001337077682 850797433 /nfs/dbraw/zinc/79/74/33/850797433.db2.gz JKXSTODVUZCXOW-IAGOWNOFSA-N 2 0 354.495 -0.332 20 0 FBADRP O=C(C[NH2+]C[C@@H]1CCCO1)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001337077683 850797101 /nfs/dbraw/zinc/79/71/01/850797101.db2.gz JKXSTODVUZCXOW-IRXDYDNUSA-N 2 0 354.495 -0.332 20 0 FBADRP O=C(C[NH2+]C[C@@H]1CCCO1)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001337077684 850797119 /nfs/dbraw/zinc/79/71/19/850797119.db2.gz JKXSTODVUZCXOW-SJORKVTESA-N 2 0 354.495 -0.332 20 0 FBADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C[NH+]2CCC(CO)CC2)CC1 ZINC001337123909 850799548 /nfs/dbraw/zinc/79/95/48/850799548.db2.gz LCPSMTFNXUZJJJ-UHFFFAOYSA-N 2 0 352.479 -0.543 20 0 FBADRP O=C(NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001337356909 850810243 /nfs/dbraw/zinc/81/02/43/850810243.db2.gz LZWQHOBMDNFRMU-FZKCQIBNSA-N 2 0 350.463 -0.557 20 0 FBADRP O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001337356912 850810379 /nfs/dbraw/zinc/81/03/79/850810379.db2.gz LZWQHOBMDNFRMU-QKPAOTATSA-N 2 0 350.463 -0.557 20 0 FBADRP O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001337356915 850810477 /nfs/dbraw/zinc/81/04/77/850810477.db2.gz LZWQHOBMDNFRMU-QXSJWSMHSA-N 2 0 350.463 -0.557 20 0 FBADRP O=C(NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001337356920 850810607 /nfs/dbraw/zinc/81/06/07/850810607.db2.gz LZWQHOBMDNFRMU-XUWVNRHRSA-N 2 0 350.463 -0.557 20 0 FBADRP C[NH+](C)C1(C(=O)NC[C@H]2CC[C@@H](CNC(=O)C3([NH+](C)C)CC3)O2)CC1 ZINC001337400430 850811575 /nfs/dbraw/zinc/81/15/75/850811575.db2.gz QOPQCPTVIPEPRV-OKILXGFUSA-N 2 0 352.479 -0.045 20 0 FBADRP CN1CC[NH+](C2CCN(C(=O)C(=O)NCCC[NH2+]C3CC3)CC2)CC1 ZINC001337455723 850815083 /nfs/dbraw/zinc/81/50/83/850815083.db2.gz PYKQZGILXWNUMF-UHFFFAOYSA-N 2 0 351.495 -0.517 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC001337456420 850814649 /nfs/dbraw/zinc/81/46/49/850814649.db2.gz VKRWVXABTPRPAZ-BZUAXINKSA-N 2 0 353.511 -0.238 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC001337456422 850815201 /nfs/dbraw/zinc/81/52/01/850815201.db2.gz VKRWVXABTPRPAZ-OAGGEKHMSA-N 2 0 353.511 -0.238 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC001337456424 850814741 /nfs/dbraw/zinc/81/47/41/850814741.db2.gz VKRWVXABTPRPAZ-OWCLPIDISA-N 2 0 353.511 -0.238 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC001337456426 850814767 /nfs/dbraw/zinc/81/47/67/850814767.db2.gz VKRWVXABTPRPAZ-PMPSAXMXSA-N 2 0 353.511 -0.238 20 0 FBADRP C[NH+]1CCN(CCCS(=O)(=O)NC[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC001337602865 850824958 /nfs/dbraw/zinc/82/49/58/850824958.db2.gz WGPBKBYCIUTULO-CYBMUJFWSA-N 2 0 354.467 -0.212 20 0 FBADRP C[NH+]1CCN(CCCS(=O)(=O)NC[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC001337602866 850825035 /nfs/dbraw/zinc/82/50/35/850825035.db2.gz WGPBKBYCIUTULO-ZDUSSCGKSA-N 2 0 354.467 -0.212 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N[C@@H](CO)CNC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1C ZINC001337749481 850835031 /nfs/dbraw/zinc/83/50/31/850835031.db2.gz DNHDFGTYZYZRSC-QLFBSQMISA-N 2 0 352.479 -0.594 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N[C@H](CO)CNC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1C ZINC001337749482 850835081 /nfs/dbraw/zinc/83/50/81/850835081.db2.gz DNHDFGTYZYZRSC-SOUVJXGZSA-N 2 0 352.479 -0.594 20 0 FBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCc2ccccc2S(C)(=O)=O)CC1 ZINC001337871742 850845636 /nfs/dbraw/zinc/84/56/36/850845636.db2.gz HESJWRYEPCHMTN-INIZCTEOSA-N 2 0 355.504 -0.170 20 0 FBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCc2ccccc2S(C)(=O)=O)CC1 ZINC001337871743 850846074 /nfs/dbraw/zinc/84/60/74/850846074.db2.gz HESJWRYEPCHMTN-MRXNPFEDSA-N 2 0 355.504 -0.170 20 0 FBADRP [NH3+]CC12CC(C1)CN2C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001338011292 850853046 /nfs/dbraw/zinc/85/30/46/850853046.db2.gz MBENYXKKMFJGRM-PQUAAJSLSA-N 2 0 351.495 -0.084 20 0 FBADRP [NH3+]CC12CC(C1)CN2C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001338011293 850852414 /nfs/dbraw/zinc/85/24/14/850852414.db2.gz MBENYXKKMFJGRM-UPTPFMHGSA-N 2 0 351.495 -0.084 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NCCc2ccns2)C[C@H]1C[NH+](C)C ZINC001338098480 850856900 /nfs/dbraw/zinc/85/69/00/850856900.db2.gz QCOUTUWOQRFREF-ZIAGYGMSSA-N 2 0 367.519 0.000 20 0 FBADRP CN1CC[NH+](CCCCNC(=O)C(=O)N2CCC[C@]23CC[NH2+]C3)CC1 ZINC001338280512 850870052 /nfs/dbraw/zinc/87/00/52/850870052.db2.gz YIPIIYKQFVELFN-GOSISDBHSA-N 2 0 351.495 -0.515 20 0 FBADRP CN1CC[NH+](CCCCNC(=O)C(=O)N2CCC[C@@]23CC[NH2+]C3)CC1 ZINC001338280513 850870464 /nfs/dbraw/zinc/87/04/64/850870464.db2.gz YIPIIYKQFVELFN-SFHVURJKSA-N 2 0 351.495 -0.515 20 0 FBADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC001338331325 850873647 /nfs/dbraw/zinc/87/36/47/850873647.db2.gz ZIUSXUUEMUPEID-CABCVRRESA-N 2 0 352.479 -0.329 20 0 FBADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC001338331327 850873744 /nfs/dbraw/zinc/87/37/44/850873744.db2.gz ZIUSXUUEMUPEID-GJZGRUSLSA-N 2 0 352.479 -0.329 20 0 FBADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC001338331329 850873655 /nfs/dbraw/zinc/87/36/55/850873655.db2.gz ZIUSXUUEMUPEID-HUUCEWRRSA-N 2 0 352.479 -0.329 20 0 FBADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC001338331332 850873764 /nfs/dbraw/zinc/87/37/64/850873764.db2.gz ZIUSXUUEMUPEID-LSDHHAIUSA-N 2 0 352.479 -0.329 20 0 FBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)NCCCCCN1CC[NH2+]CC1 ZINC001338336976 850874462 /nfs/dbraw/zinc/87/44/62/850874462.db2.gz HALYGXODYAEAEP-UHFFFAOYSA-N 2 0 353.511 -0.268 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)C[C@H]1C[NH+](C)C ZINC001338351839 850875723 /nfs/dbraw/zinc/87/57/23/850875723.db2.gz MYWUBAQMXMFYRL-FPCVCCKLSA-N 3 0 353.511 -0.572 20 0 FBADRP Cn1c(C2=[NH+]O[C@@H](CO)C2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001338428871 850878982 /nfs/dbraw/zinc/87/89/82/850878982.db2.gz FJIFNHIAUBGJEI-CHWSQXEVSA-N 2 0 350.423 -0.541 20 0 FBADRP Cn1c(C2=[NH+]O[C@H](CO)C2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001338428872 850879542 /nfs/dbraw/zinc/87/95/42/850879542.db2.gz FJIFNHIAUBGJEI-OLZOCXBDSA-N 2 0 350.423 -0.541 20 0 FBADRP Cn1c(C2=[NH+]O[C@@H](CO)C2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001338428873 850879100 /nfs/dbraw/zinc/87/91/00/850879100.db2.gz FJIFNHIAUBGJEI-QWHCGFSZSA-N 2 0 350.423 -0.541 20 0 FBADRP Cn1c(C2=[NH+]O[C@H](CO)C2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001338428874 850878962 /nfs/dbraw/zinc/87/89/62/850878962.db2.gz FJIFNHIAUBGJEI-STQMWFEESA-N 2 0 350.423 -0.541 20 0 FBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC2CCN(C(=O)C(F)(F)F)CC2)CC1 ZINC001338503571 850884621 /nfs/dbraw/zinc/88/46/21/850884621.db2.gz CLNKSRYLOWGUOS-AWEZNQCLSA-N 2 0 366.428 -0.015 20 0 FBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CC2CCN(C(=O)C(F)(F)F)CC2)CC1 ZINC001338503872 850884871 /nfs/dbraw/zinc/88/48/71/850884871.db2.gz CLNKSRYLOWGUOS-CQSZACIVSA-N 2 0 366.428 -0.015 20 0 FBADRP COCCC[N@H+](C)CCNC(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001338549446 850888339 /nfs/dbraw/zinc/88/83/39/850888339.db2.gz IYHUMLFCOIINNK-AWEZNQCLSA-N 2 0 356.467 -0.061 20 0 FBADRP COCCC[N@H+](C)CCNC(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001338549448 850888547 /nfs/dbraw/zinc/88/85/47/850888547.db2.gz IYHUMLFCOIINNK-CQSZACIVSA-N 2 0 356.467 -0.061 20 0 FBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C(=O)NCCCN1CC[NH2+]CC1)C2 ZINC001338625312 850895233 /nfs/dbraw/zinc/89/52/33/850895233.db2.gz QAKBMMUFZCMJCW-VBQJREDUSA-N 2 0 353.467 -0.796 20 0 FBADRP CCC[N@H+](C)CC(=O)N(C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001338667960 850897167 /nfs/dbraw/zinc/89/71/67/850897167.db2.gz UHIBUAFPNVYUPY-BZUAXINKSA-N 2 0 356.511 -0.054 20 0 FBADRP CCC[N@H+](C)CC(=O)N(C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001338667963 850897483 /nfs/dbraw/zinc/89/74/83/850897483.db2.gz UHIBUAFPNVYUPY-OWCLPIDISA-N 2 0 356.511 -0.054 20 0 FBADRP COCCN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001338982929 850913300 /nfs/dbraw/zinc/91/33/00/850913300.db2.gz GKLZUISXXWSATP-BZUAXINKSA-N 2 0 354.495 -0.131 20 0 FBADRP COCCN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001338982931 850913113 /nfs/dbraw/zinc/91/31/13/850913113.db2.gz GKLZUISXXWSATP-OWCLPIDISA-N 2 0 354.495 -0.131 20 0 FBADRP O=C(C[NH+]1CCCC1)NC[C@H]1CC[C@@H](CNC(=O)C[NH+]2CCCC2)O1 ZINC001339196864 850923323 /nfs/dbraw/zinc/92/33/23/850923323.db2.gz PCTNEZJLLBDESX-IYBDPMFKSA-N 2 0 352.479 -0.042 20 0 FBADRP O=C(C[NH+]1CCC(CO)CC1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC001339708950 850942764 /nfs/dbraw/zinc/94/27/64/850942764.db2.gz JOTXXPLIAWVHNL-INIZCTEOSA-N 2 0 352.479 -0.639 20 0 FBADRP O=C(C[NH+]1CCC(CO)CC1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC001339708951 850942946 /nfs/dbraw/zinc/94/29/46/850942946.db2.gz JOTXXPLIAWVHNL-MRXNPFEDSA-N 2 0 352.479 -0.639 20 0 FBADRP Cn1nnc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1C(F)F ZINC001339800011 850947019 /nfs/dbraw/zinc/94/70/19/850947019.db2.gz WRFUVNBIFSXMDB-UHFFFAOYSA-N 2 0 361.397 -0.357 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N(C)CCCN2CC[NH+](C)CC2)CC[C@H]1C[NH3+] ZINC001340077230 850964222 /nfs/dbraw/zinc/96/42/22/850964222.db2.gz FGZOHORPMYONJD-CVEARBPZSA-N 2 0 353.511 -0.474 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)N(C)CCCN2CC[NH+](C)CC2)CC[C@H]1C[NH3+] ZINC001340077231 850964271 /nfs/dbraw/zinc/96/42/71/850964271.db2.gz FGZOHORPMYONJD-HOTGVXAUSA-N 2 0 353.511 -0.474 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N(C)CCCN2CC[NH+](C)CC2)CC[C@@H]1C[NH3+] ZINC001340077232 850964119 /nfs/dbraw/zinc/96/41/19/850964119.db2.gz FGZOHORPMYONJD-HZPDHXFCSA-N 2 0 353.511 -0.474 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)N(C)CCCN2CC[NH+](C)CC2)CC[C@@H]1C[NH3+] ZINC001340077233 850964189 /nfs/dbraw/zinc/96/41/89/850964189.db2.gz FGZOHORPMYONJD-JKSUJKDBSA-N 2 0 353.511 -0.474 20 0 FBADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)[C@@]2(C)C[C@H](O)C[NH2+]2)CC1 ZINC001340114826 850966360 /nfs/dbraw/zinc/96/63/60/850966360.db2.gz XKPXNFXHAZKNEH-KBXCAEBGSA-N 2 0 354.495 -0.158 20 0 FBADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)CC1 ZINC001340114828 850966329 /nfs/dbraw/zinc/96/63/29/850966329.db2.gz XKPXNFXHAZKNEH-KDOFPFPSSA-N 2 0 354.495 -0.158 20 0 FBADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)[C@]2(C)C[C@H](O)C[NH2+]2)CC1 ZINC001340114830 850966588 /nfs/dbraw/zinc/96/65/88/850966588.db2.gz XKPXNFXHAZKNEH-KSSFIOAISA-N 2 0 354.495 -0.158 20 0 FBADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)[C@@]2(C)C[C@@H](O)C[NH2+]2)CC1 ZINC001340114832 850966373 /nfs/dbraw/zinc/96/63/73/850966373.db2.gz XKPXNFXHAZKNEH-RDTXWAMCSA-N 2 0 354.495 -0.158 20 0 FBADRP C[NH+](C)CCOc1ccccc1N1CCN(C(=O)C[C@H](O)C[NH3+])CC1 ZINC001340119712 850967217 /nfs/dbraw/zinc/96/72/17/850967217.db2.gz TVESIIRJMOCIRJ-HNNXBMFYSA-N 2 0 350.463 -0.015 20 0 FBADRP C[NH+](C)CCOc1ccccc1N1CCN(C(=O)C[C@@H](O)C[NH3+])CC1 ZINC001340119713 850966994 /nfs/dbraw/zinc/96/69/94/850966994.db2.gz TVESIIRJMOCIRJ-OAHLLOKOSA-N 2 0 350.463 -0.015 20 0 FBADRP [NH3+]CCn1cc(Br)cc(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c1=O ZINC001340148115 850969531 /nfs/dbraw/zinc/96/95/31/850969531.db2.gz LRQSWYQMKUVHGC-AOOOYVTPSA-N 2 0 355.236 -0.139 20 0 FBADRP CC[NH+](CC)CCN(C(=O)[C@H](C)[C@@H](O)C[NH2+]C)[C@H]1CCS(=O)(=O)C1 ZINC001340187054 850971406 /nfs/dbraw/zinc/97/14/06/850971406.db2.gz XWDJRRYLEFTHFE-ILXRZTDVSA-N 2 0 363.524 -0.440 20 0 FBADRP CC[NH+](CC)CCN(C(=O)[C@H](C)[C@@H](O)C[NH2+]C)[C@@H]1CCS(=O)(=O)C1 ZINC001340187055 850971251 /nfs/dbraw/zinc/97/12/51/850971251.db2.gz XWDJRRYLEFTHFE-KFWWJZLASA-N 2 0 363.524 -0.440 20 0 FBADRP CC[NH+](CC)CCN(C(=O)[C@H](C)[C@H](O)C[NH2+]C)[C@H]1CCS(=O)(=O)C1 ZINC001340187056 850971470 /nfs/dbraw/zinc/97/14/70/850971470.db2.gz XWDJRRYLEFTHFE-QLFBSQMISA-N 2 0 363.524 -0.440 20 0 FBADRP CC[NH+](CC)CCN(C(=O)[C@H](C)[C@H](O)C[NH2+]C)[C@@H]1CCS(=O)(=O)C1 ZINC001340187057 850971122 /nfs/dbraw/zinc/97/11/22/850971122.db2.gz XWDJRRYLEFTHFE-RBSFLKMASA-N 2 0 363.524 -0.440 20 0 FBADRP [NH3+]Cc1nc(CC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cs1 ZINC001340205952 850973126 /nfs/dbraw/zinc/97/31/26/850973126.db2.gz NITKNYKYUVQXHE-UHFFFAOYSA-N 2 0 351.476 -0.089 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)c2ccn(CCC[NH3+])n2)CC1 ZINC001340206573 850973185 /nfs/dbraw/zinc/97/31/85/850973185.db2.gz VSRRWGLZBDNBJB-UHFFFAOYSA-N 2 0 350.467 -0.142 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001340249659 850975681 /nfs/dbraw/zinc/97/56/81/850975681.db2.gz QNBBMPBVKCTWQI-CVEARBPZSA-N 2 0 353.511 -0.427 20 0 FBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001340249662 850975657 /nfs/dbraw/zinc/97/56/57/850975657.db2.gz QNBBMPBVKCTWQI-HOTGVXAUSA-N 2 0 353.511 -0.427 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001340249664 850975910 /nfs/dbraw/zinc/97/59/10/850975910.db2.gz QNBBMPBVKCTWQI-HZPDHXFCSA-N 2 0 353.511 -0.427 20 0 FBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001340249667 850975540 /nfs/dbraw/zinc/97/55/40/850975540.db2.gz QNBBMPBVKCTWQI-JKSUJKDBSA-N 2 0 353.511 -0.427 20 0 FBADRP CC(=O)N1CCC(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC001340261835 850976523 /nfs/dbraw/zinc/97/65/23/850976523.db2.gz UZXBMJFJTGTMRI-UHFFFAOYSA-N 2 0 355.483 -0.935 20 0 FBADRP O=C(C[C@@]1(O)CCC[NH2+]C1)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC001340262008 850976915 /nfs/dbraw/zinc/97/69/15/850976915.db2.gz MLRTXVXMRPLPIX-DAYGRLMNSA-N 2 0 352.479 -0.402 20 0 FBADRP O=C(C[C@]1(O)CCC[NH2+]C1)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC001340262010 850976563 /nfs/dbraw/zinc/97/65/63/850976563.db2.gz MLRTXVXMRPLPIX-HDMKZQKVSA-N 2 0 352.479 -0.402 20 0 FBADRP O=C(C[C@@]1(O)CCC[NH2+]C1)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001340262012 850976354 /nfs/dbraw/zinc/97/63/54/850976354.db2.gz MLRTXVXMRPLPIX-MPGHIAIKSA-N 2 0 352.479 -0.402 20 0 FBADRP O=C(C[C@]1(O)CCC[NH2+]C1)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001340262014 850976326 /nfs/dbraw/zinc/97/63/26/850976326.db2.gz MLRTXVXMRPLPIX-RLFYNMQTSA-N 2 0 352.479 -0.402 20 0 FBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C[C@@H]3CS(=O)(=O)[C@@H]4C[NH2+]C[C@H]34)CC[C@@H]21 ZINC001340287499 850977532 /nfs/dbraw/zinc/97/75/32/850977532.db2.gz NVPFCNJFEOTLIE-DGXTUMSLSA-N 2 0 355.504 -0.048 20 0 FBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C[C@@H]3CS(=O)(=O)[C@@H]4C[NH2+]C[C@@H]34)CC[C@H]21 ZINC001340287500 850978021 /nfs/dbraw/zinc/97/80/21/850978021.db2.gz NVPFCNJFEOTLIE-IBEHDNSVSA-N 2 0 355.504 -0.048 20 0 FBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C[C@@H]3CS(=O)(=O)[C@@H]4C[NH2+]C[C@H]34)CC[C@H]21 ZINC001340287501 850977676 /nfs/dbraw/zinc/97/76/76/850977676.db2.gz NVPFCNJFEOTLIE-OXGONZEZSA-N 2 0 355.504 -0.048 20 0 FBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C[C@@H]3CS(=O)(=O)[C@@H]4C[NH2+]C[C@@H]34)CC[C@@H]21 ZINC001340287502 850977774 /nfs/dbraw/zinc/97/77/74/850977774.db2.gz NVPFCNJFEOTLIE-RBGFHDKUSA-N 2 0 355.504 -0.048 20 0 FBADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[C@@H]1[NH2+]CC12CCOCC2 ZINC001340531423 850991395 /nfs/dbraw/zinc/99/13/95/850991395.db2.gz TXAFRYXFQINUTJ-NEPJUHHUSA-N 2 0 350.385 -0.293 20 0 FBADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@H]1[NH2+]CC12CCOCC2 ZINC001340531425 850991540 /nfs/dbraw/zinc/99/15/40/850991540.db2.gz TXAFRYXFQINUTJ-NWDGAFQWSA-N 2 0 350.385 -0.293 20 0 FBADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@@H]1[NH2+]CC12CCOCC2 ZINC001340531427 850991477 /nfs/dbraw/zinc/99/14/77/850991477.db2.gz TXAFRYXFQINUTJ-RYUDHWBXSA-N 2 0 350.385 -0.293 20 0 FBADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[C@H]1[NH2+]CC12CCOCC2 ZINC001340531429 850991550 /nfs/dbraw/zinc/99/15/50/850991550.db2.gz TXAFRYXFQINUTJ-VXGBXAGGSA-N 2 0 350.385 -0.293 20 0 FBADRP [NH3+]CCn1cc(Br)cc(C(=O)N[C@@H]2COC3(C[NH2+]C3)C2)c1=O ZINC001340738300 851005514 /nfs/dbraw/zinc/00/55/14/851005514.db2.gz HXHSYILIBWZLDU-JTQLQIEISA-N 2 0 371.235 -0.570 20 0 FBADRP [NH3+]CCn1cc(Br)cc(C(=O)N[C@H]2COC3(C[NH2+]C3)C2)c1=O ZINC001340738301 851005643 /nfs/dbraw/zinc/00/56/43/851005643.db2.gz HXHSYILIBWZLDU-SNVBAGLBSA-N 2 0 371.235 -0.570 20 0 FBADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)[C@]34C[NH2+]C[C@H]3CCOC4)CC2)C1=O ZINC001340751820 851005490 /nfs/dbraw/zinc/00/54/90/851005490.db2.gz SQTFEJGONXVLKP-SIIHOXLZSA-N 2 0 350.463 -0.576 20 0 FBADRP CN1CC[C@H]([NH+]2CCC(NC(=O)[C@]34C[NH2+]C[C@H]3CCOC4)CC2)C1=O ZINC001340751823 851005275 /nfs/dbraw/zinc/00/52/75/851005275.db2.gz SQTFEJGONXVLKP-XUWXXGDYSA-N 2 0 350.463 -0.576 20 0 FBADRP O=C(C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@H]12)NCc1cccc2c1CC[NH2+]C2 ZINC001340752845 851005691 /nfs/dbraw/zinc/00/56/91/851005691.db2.gz YPKCDSMEFLFZHI-DJIMGWMZSA-N 2 0 363.483 -0.029 20 0 FBADRP O=C(C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@@H]12)NCc1cccc2c1CC[NH2+]C2 ZINC001340752847 851005180 /nfs/dbraw/zinc/00/51/80/851005180.db2.gz YPKCDSMEFLFZHI-HYVNUMGLSA-N 2 0 363.483 -0.029 20 0 FBADRP O=C(C[C@@H]1CS(=O)(=O)[C@H]2C[NH2+]C[C@@H]21)NCc1cccc2c1CC[NH2+]C2 ZINC001340752849 851005236 /nfs/dbraw/zinc/00/52/36/851005236.db2.gz YPKCDSMEFLFZHI-OIISXLGYSA-N 2 0 363.483 -0.029 20 0 FBADRP O=C(C[C@@H]1CS(=O)(=O)[C@H]2C[NH2+]C[C@H]21)NCc1cccc2c1CC[NH2+]C2 ZINC001340752851 851005189 /nfs/dbraw/zinc/00/51/89/851005189.db2.gz YPKCDSMEFLFZHI-PVAVHDDUSA-N 2 0 363.483 -0.029 20 0 FBADRP O=C(N[C@H]1C[NH2+]C[C@H]1O)c1cc(Br)c2c(c1)C[NH2+]CCO2 ZINC001340788354 851007707 /nfs/dbraw/zinc/00/77/07/851007707.db2.gz ZRBVHQVRUZQNEU-NWDGAFQWSA-N 2 0 356.220 -0.006 20 0 FBADRP [NH3+]CCCN(CC(F)(F)F)C(=O)C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@H]12 ZINC001340844802 851011577 /nfs/dbraw/zinc/01/15/77/851011577.db2.gz FHXFUMVESYIZID-GMTAPVOTSA-N 2 0 357.398 -0.251 20 0 FBADRP [NH3+]CCCN(CC(F)(F)F)C(=O)C[C@@H]1CS(=O)(=O)[C@H]2C[NH2+]C[C@@H]21 ZINC001340844804 851011731 /nfs/dbraw/zinc/01/17/31/851011731.db2.gz FHXFUMVESYIZID-MXWKQRLJSA-N 2 0 357.398 -0.251 20 0 FBADRP [NH3+]CCCN(CC(F)(F)F)C(=O)C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@@H]12 ZINC001340844806 851011714 /nfs/dbraw/zinc/01/17/14/851011714.db2.gz FHXFUMVESYIZID-OUAUKWLOSA-N 2 0 357.398 -0.251 20 0 FBADRP [NH3+]CCCN(CC(F)(F)F)C(=O)C[C@@H]1CS(=O)(=O)[C@H]2C[NH2+]C[C@H]21 ZINC001340844809 851011080 /nfs/dbraw/zinc/01/10/80/851011080.db2.gz FHXFUMVESYIZID-VWYCJHECSA-N 2 0 357.398 -0.251 20 0 FBADRP [NH3+]CCn1cc(Br)cc(C(=O)NC[C@H]2COCC[NH2+]2)c1=O ZINC001340845300 851011196 /nfs/dbraw/zinc/01/11/96/851011196.db2.gz RRRBQFFKVDRCOH-JTQLQIEISA-N 2 0 359.224 -0.712 20 0 FBADRP [NH3+]CCn1cc(Br)cc(C(=O)NC[C@@H]2COCC[NH2+]2)c1=O ZINC001340845302 851011857 /nfs/dbraw/zinc/01/18/57/851011857.db2.gz RRRBQFFKVDRCOH-SNVBAGLBSA-N 2 0 359.224 -0.712 20 0 FBADRP [NH3+]CCN1CCC[C@@H](C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1=O ZINC001340852319 851012498 /nfs/dbraw/zinc/01/24/98/851012498.db2.gz GEDOABBYSYKBGH-HNNXBMFYSA-N 2 0 352.479 -0.055 20 0 FBADRP [NH3+]CCN1CCC[C@H](C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1=O ZINC001340852320 851012768 /nfs/dbraw/zinc/01/27/68/851012768.db2.gz GEDOABBYSYKBGH-OAHLLOKOSA-N 2 0 352.479 -0.055 20 0 FBADRP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001340870202 851013541 /nfs/dbraw/zinc/01/35/41/851013541.db2.gz BNXWORQRAQVONX-KBPBESRZSA-N 2 0 350.463 -0.576 20 0 FBADRP O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001340870205 851013922 /nfs/dbraw/zinc/01/39/22/851013922.db2.gz BNXWORQRAQVONX-KGLIPLIRSA-N 2 0 350.463 -0.576 20 0 FBADRP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001340870207 851014545 /nfs/dbraw/zinc/01/45/45/851014545.db2.gz BNXWORQRAQVONX-UONOGXRCSA-N 2 0 350.463 -0.576 20 0 FBADRP O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001340870210 851014922 /nfs/dbraw/zinc/01/49/22/851014922.db2.gz BNXWORQRAQVONX-ZIAGYGMSSA-N 2 0 350.463 -0.576 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)C[C@H]1C[NH+](C)C ZINC001340877761 851014494 /nfs/dbraw/zinc/01/44/94/851014494.db2.gz XNXUETMBFNAFHK-RBSFLKMASA-N 3 0 351.495 -0.996 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)C[C@H]1C[NH+](C)C ZINC001340877771 851014726 /nfs/dbraw/zinc/01/47/26/851014726.db2.gz XNXUETMBFNAFHK-RRFJBIMHSA-N 3 0 351.495 -0.996 20 0 FBADRP CCO[C@H](CC[NH+](C)C)CNC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@@H]12 ZINC001340882610 851014770 /nfs/dbraw/zinc/01/47/70/851014770.db2.gz YNMABFNLOIAQJW-APIJFGDWSA-N 2 0 361.508 -0.518 20 0 FBADRP CCO[C@H](CC[NH+](C)C)CNC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@H]12 ZINC001340882611 851014863 /nfs/dbraw/zinc/01/48/63/851014863.db2.gz YNMABFNLOIAQJW-KBUPBQIOSA-N 2 0 361.508 -0.518 20 0 FBADRP CCO[C@H](CC[NH+](C)C)CNC(=O)C[C@@H]1CS(=O)(=O)[C@H]2C[NH2+]C[C@H]21 ZINC001340882612 851014794 /nfs/dbraw/zinc/01/47/94/851014794.db2.gz YNMABFNLOIAQJW-KBXIAJHMSA-N 2 0 361.508 -0.518 20 0 FBADRP CCO[C@H](CC[NH+](C)C)CNC(=O)C[C@@H]1CS(=O)(=O)[C@H]2C[NH2+]C[C@@H]21 ZINC001340882613 851014785 /nfs/dbraw/zinc/01/47/85/851014785.db2.gz YNMABFNLOIAQJW-TUVASFSCSA-N 2 0 361.508 -0.518 20 0 FBADRP CCN1CC[NH+](CCCCNC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001340891607 851015665 /nfs/dbraw/zinc/01/56/65/851015665.db2.gz AXXLQFWOZDRGID-INIZCTEOSA-N 2 0 353.511 -0.282 20 0 FBADRP CCN1CC[NH+](CCCCNC(=O)[C@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001340891610 851015582 /nfs/dbraw/zinc/01/55/82/851015582.db2.gz AXXLQFWOZDRGID-MRXNPFEDSA-N 2 0 353.511 -0.282 20 0 FBADRP C[NH2+]C[C@@H](O)[C@H](C)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC001340891663 851015567 /nfs/dbraw/zinc/01/55/67/851015567.db2.gz BNLBLZZXSVPKDJ-DZGCQCFKSA-N 2 0 356.511 -0.054 20 0 FBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC001340891666 851015428 /nfs/dbraw/zinc/01/54/28/851015428.db2.gz BNLBLZZXSVPKDJ-HIFRSBDPSA-N 2 0 356.511 -0.054 20 0 FBADRP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC001340891669 851015414 /nfs/dbraw/zinc/01/54/14/851015414.db2.gz BNLBLZZXSVPKDJ-UKRRQHHQSA-N 2 0 356.511 -0.054 20 0 FBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC001340891670 851015559 /nfs/dbraw/zinc/01/55/59/851015559.db2.gz BNLBLZZXSVPKDJ-ZFWWWQNUSA-N 2 0 356.511 -0.054 20 0 FBADRP C[C@H]([NH3+])C1(C(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CCOCC1 ZINC001340914719 851018036 /nfs/dbraw/zinc/01/80/36/851018036.db2.gz BETBXPLZOKJTFW-DGAVXFQQSA-N 2 0 352.435 -0.476 20 0 FBADRP C[C@H]([NH3+])C1(C(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CCOCC1 ZINC001340914720 851017880 /nfs/dbraw/zinc/01/78/80/851017880.db2.gz BETBXPLZOKJTFW-FQUUOJAGSA-N 2 0 352.435 -0.476 20 0 FBADRP C[C@@H]([NH3+])C1(C(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CCOCC1 ZINC001340914721 851017644 /nfs/dbraw/zinc/01/76/44/851017644.db2.gz BETBXPLZOKJTFW-RQJABVFESA-N 2 0 352.435 -0.476 20 0 FBADRP C[C@@H]([NH3+])C1(C(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CCOCC1 ZINC001340914722 851018764 /nfs/dbraw/zinc/01/87/64/851018764.db2.gz BETBXPLZOKJTFW-SYQHCUMBSA-N 2 0 352.435 -0.476 20 0 FBADRP COC[C@]1(C(=O)N2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)C[NH2+]CCO1 ZINC001340931061 851019740 /nfs/dbraw/zinc/01/97/40/851019740.db2.gz JIEDPPYLADQOGJ-JZXOWHBKSA-N 2 0 352.479 -0.581 20 0 FBADRP COC[C@@]1(C(=O)N2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)C[NH2+]CCO1 ZINC001340931064 851019632 /nfs/dbraw/zinc/01/96/32/851019632.db2.gz JIEDPPYLADQOGJ-SOLBZPMBSA-N 2 0 352.479 -0.581 20 0 FBADRP C[NH+](C)CCOCC(=O)N1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001340957198 851022478 /nfs/dbraw/zinc/02/24/78/851022478.db2.gz UYDPHGUBRVSISU-ARFHVFGLSA-N 2 0 352.479 -0.282 20 0 FBADRP C[NH+](C)CCOCC(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001340957199 851022258 /nfs/dbraw/zinc/02/22/58/851022258.db2.gz UYDPHGUBRVSISU-HRCADAONSA-N 2 0 352.479 -0.282 20 0 FBADRP C[NH+](C)CCCOC1CCN(C(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)CC1 ZINC001341012275 851027747 /nfs/dbraw/zinc/02/77/47/851027747.db2.gz HHMZPJVRYFDNMW-AWEZNQCLSA-N 2 0 352.479 -0.234 20 0 FBADRP C[NH+](C)CCCOC1CCN(C(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)CC1 ZINC001341012276 851027572 /nfs/dbraw/zinc/02/75/72/851027572.db2.gz HHMZPJVRYFDNMW-CQSZACIVSA-N 2 0 352.479 -0.234 20 0 FBADRP C[NH+](C)CCOCC(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001341020848 851028698 /nfs/dbraw/zinc/02/86/98/851028698.db2.gz DBWYEURSBQIXFW-ARFHVFGLSA-N 2 0 352.479 -0.424 20 0 FBADRP C[NH+](C)CCOCC(=O)N1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001341020859 851029053 /nfs/dbraw/zinc/02/90/53/851029053.db2.gz DBWYEURSBQIXFW-HRCADAONSA-N 2 0 352.479 -0.424 20 0 FBADRP O=C(CCN1CCCS1(=O)=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001341038475 851030758 /nfs/dbraw/zinc/03/07/58/851030758.db2.gz AYKPKQITTOAFOR-IYBDPMFKSA-N 2 0 370.519 -0.161 20 0 FBADRP O=C(CC[NH2+]C1CC1)N1CCNCCN(C(=O)CC[NH2+]C2CC2)CC1 ZINC001341038933 851031069 /nfs/dbraw/zinc/03/10/69/851031069.db2.gz VGUBVKFKEVBHIX-UHFFFAOYSA-N 2 0 351.495 -0.469 20 0 FBADRP [NH3+][C@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CS(=O)(=O)C3)CC[C@@H]1C(F)(F)F ZINC001341064428 851035559 /nfs/dbraw/zinc/03/55/59/851035559.db2.gz SSSWVRMKCDKQIE-GMOBBJLQSA-N 2 0 355.382 -0.641 20 0 FBADRP [NH3+][C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CS(=O)(=O)C3)CC[C@@H]1C(F)(F)F ZINC001341064429 851035374 /nfs/dbraw/zinc/03/53/74/851035374.db2.gz SSSWVRMKCDKQIE-GUDRVLHUSA-N 2 0 355.382 -0.641 20 0 FBADRP [NH3+][C@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CS(=O)(=O)C3)CC[C@H]1C(F)(F)F ZINC001341064430 851035260 /nfs/dbraw/zinc/03/52/60/851035260.db2.gz SSSWVRMKCDKQIE-WYFGTUCQSA-N 2 0 355.382 -0.641 20 0 FBADRP [NH3+][C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CS(=O)(=O)C3)CC[C@H]1C(F)(F)F ZINC001341064432 851035304 /nfs/dbraw/zinc/03/53/04/851035304.db2.gz SSSWVRMKCDKQIE-XNDJQWLSSA-N 2 0 355.382 -0.641 20 0 FBADRP CC[C@H](C(=O)N1CC[C@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]21)[NH+](C)C ZINC001341071732 851035174 /nfs/dbraw/zinc/03/51/74/851035174.db2.gz SFLGHDKKJBZNOV-ARFHVFGLSA-N 2 0 354.495 -0.036 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCNCC[NH2+]CC2)CC1=O ZINC001341099978 851038844 /nfs/dbraw/zinc/03/88/44/851038844.db2.gz ONJKYERTOWIMNI-CVEARBPZSA-N 2 0 351.495 -0.659 20 0 FBADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCNCC[NH2+]CC2)CC1=O ZINC001341099980 851038504 /nfs/dbraw/zinc/03/85/04/851038504.db2.gz ONJKYERTOWIMNI-HOTGVXAUSA-N 2 0 351.495 -0.659 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCNCC[NH2+]CC2)CC1=O ZINC001341099982 851038977 /nfs/dbraw/zinc/03/89/77/851038977.db2.gz ONJKYERTOWIMNI-HZPDHXFCSA-N 2 0 351.495 -0.659 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCNCC[NH2+]CC2)CC1=O ZINC001341099984 851038433 /nfs/dbraw/zinc/03/84/33/851038433.db2.gz ONJKYERTOWIMNI-JKSUJKDBSA-N 2 0 351.495 -0.659 20 0 FBADRP CC[C@@H](C(=O)N1CC[C@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]21)[NH+](C)C ZINC001341103886 851039688 /nfs/dbraw/zinc/03/96/88/851039688.db2.gz SFLGHDKKJBZNOV-HRCADAONSA-N 2 0 354.495 -0.036 20 0 FBADRP [NH3+][C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CS(=O)(=O)C3)C[C@H]1c1cccc(F)c1 ZINC001341106136 851039935 /nfs/dbraw/zinc/03/99/35/851039935.db2.gz ZXGDGUXYMREFKA-FAYQHZLMSA-N 2 0 367.446 -0.287 20 0 FBADRP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CS(=O)(=O)C3)CC1 ZINC001341113654 851040579 /nfs/dbraw/zinc/04/05/79/851040579.db2.gz AIYVITBFMFANOG-VBQJREDUSA-N 2 0 355.504 -0.143 20 0 FBADRP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CS(=O)(=O)C3)CC1 ZINC001341113655 851040972 /nfs/dbraw/zinc/04/09/72/851040972.db2.gz AIYVITBFMFANOG-ZQIUZPCESA-N 2 0 355.504 -0.143 20 0 FBADRP C[NH+](C)CCCC(=O)N1CC[C@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]21 ZINC001341150333 851043291 /nfs/dbraw/zinc/04/32/91/851043291.db2.gz COZIPVLEHNCFAX-JKSUJKDBSA-N 2 0 354.495 -0.034 20 0 FBADRP CC[C@@H](C(=O)N1CCNCCN(C(=O)[C@H](CC)[NH+](C)C)CC1)[NH+](C)C ZINC001341158103 851043948 /nfs/dbraw/zinc/04/39/48/851043948.db2.gz YUHZXRPHMDOKJU-HOTGVXAUSA-N 2 0 355.527 -0.073 20 0 FBADRP CC[C@H](C(=O)N1CCNCCN(C(=O)[C@@H](CC)[NH+](C)C)CC1)[NH+](C)C ZINC001341158104 851044420 /nfs/dbraw/zinc/04/44/20/851044420.db2.gz YUHZXRPHMDOKJU-HZPDHXFCSA-N 2 0 355.527 -0.073 20 0 FBADRP CC[C@H](C(=O)N1CCNCCN(C(=O)[C@H](CC)[NH+](C)C)CC1)[NH+](C)C ZINC001341158105 851044363 /nfs/dbraw/zinc/04/43/63/851044363.db2.gz YUHZXRPHMDOKJU-IYBDPMFKSA-N 2 0 355.527 -0.073 20 0 FBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N1CCC[NH+]2CCC[C@H]2C1 ZINC001341184042 851048791 /nfs/dbraw/zinc/04/87/91/851048791.db2.gz XDHMFWXVFABQDA-ARFHVFGLSA-N 2 0 350.463 -0.338 20 0 FBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N1CCC[NH+]2CCC[C@@H]2C1 ZINC001341184044 851048644 /nfs/dbraw/zinc/04/86/44/851048644.db2.gz XDHMFWXVFABQDA-BZUAXINKSA-N 2 0 350.463 -0.338 20 0 FBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)N1CCC[NH+]2CCC[C@H]2C1 ZINC001341184047 851049399 /nfs/dbraw/zinc/04/93/99/851049399.db2.gz XDHMFWXVFABQDA-HRCADAONSA-N 2 0 350.463 -0.338 20 0 FBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)N1CCC[NH+]2CCC[C@@H]2C1 ZINC001341184050 851049359 /nfs/dbraw/zinc/04/93/59/851049359.db2.gz XDHMFWXVFABQDA-OWCLPIDISA-N 2 0 350.463 -0.338 20 0 FBADRP CC[N@@H+]1CCCN(c2nnc(C3=[NH+]O[C@@H](CO)C3)n2CCOC)CC1 ZINC001341238531 851056096 /nfs/dbraw/zinc/05/60/96/851056096.db2.gz TWKMWEKPTUSVJW-CYBMUJFWSA-N 2 0 352.439 -0.058 20 0 FBADRP CC[N@@H+]1CCCN(c2nnc(C3=[NH+]O[C@H](CO)C3)n2CCOC)CC1 ZINC001341238534 851056286 /nfs/dbraw/zinc/05/62/86/851056286.db2.gz TWKMWEKPTUSVJW-ZDUSSCGKSA-N 2 0 352.439 -0.058 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H]2[NH2+]CC23CCOCC3)CC1 ZINC001341293576 851067807 /nfs/dbraw/zinc/06/78/07/851067807.db2.gz URSLUQNLMFEIJI-INIZCTEOSA-N 2 0 352.479 -0.232 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@H]2[NH2+]CC23CCOCC3)CC1 ZINC001341293578 851068767 /nfs/dbraw/zinc/06/87/67/851068767.db2.gz URSLUQNLMFEIJI-MRXNPFEDSA-N 2 0 352.479 -0.232 20 0 FBADRP O=C(NCC1CC[NH+](CC2CC2)CC1)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2 ZINC001341416887 851087439 /nfs/dbraw/zinc/08/74/39/851087439.db2.gz CRHRFZHNLRAABW-RDJZCZTQSA-N 2 0 355.504 -0.141 20 0 FBADRP C[NH+](C)CCC[C@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CS(=O)(=O)C3)CCO1 ZINC001341418611 851086871 /nfs/dbraw/zinc/08/68/71/851086871.db2.gz SRKQNIYLOMNYLC-DZKIICNBSA-N 2 0 359.492 -0.810 20 0 FBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CS(=O)(=O)C3)CCO1 ZINC001341418613 851087262 /nfs/dbraw/zinc/08/72/62/851087262.db2.gz SRKQNIYLOMNYLC-LZWOXQAQSA-N 2 0 359.492 -0.810 20 0 FBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001341420226 851088069 /nfs/dbraw/zinc/08/80/69/851088069.db2.gz SABFGZUAMNHUTQ-HZPDHXFCSA-N 2 0 354.495 -0.252 20 0 FBADRP CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1)[NH+](CC)CC ZINC001341436114 851091140 /nfs/dbraw/zinc/09/11/40/851091140.db2.gz MLNNGVKCIJWBRG-BZUAXINKSA-N 2 0 354.495 -0.110 20 0 FBADRP CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1)[NH+](CC)CC ZINC001341436116 851091491 /nfs/dbraw/zinc/09/14/91/851091491.db2.gz MLNNGVKCIJWBRG-OWCLPIDISA-N 2 0 354.495 -0.110 20 0 FBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@H]2O)C1 ZINC001341437147 851092607 /nfs/dbraw/zinc/09/26/07/851092607.db2.gz WSGQTUKRGSBOHB-ARFHVFGLSA-N 2 0 352.479 -0.498 20 0 FBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@H]2O)C1 ZINC001341437150 851092051 /nfs/dbraw/zinc/09/20/51/851092051.db2.gz WSGQTUKRGSBOHB-BZUAXINKSA-N 2 0 352.479 -0.498 20 0 FBADRP CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1O ZINC001341444161 851093410 /nfs/dbraw/zinc/09/34/10/851093410.db2.gz GXZOYUNCMMXDFM-ARFHVFGLSA-N 2 0 352.479 -0.642 20 0 FBADRP CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1O ZINC001341444162 851093615 /nfs/dbraw/zinc/09/36/15/851093615.db2.gz GXZOYUNCMMXDFM-BZUAXINKSA-N 2 0 352.479 -0.642 20 0 FBADRP CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1O ZINC001341445070 851094659 /nfs/dbraw/zinc/09/46/59/851094659.db2.gz NPSFHRJOHSHPIF-HUUCEWRRSA-N 2 0 352.479 -0.356 20 0 FBADRP [NH3+]C[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CS(=O)(=O)C3)CC[C@@H]1C(F)(F)F ZINC001341457515 851095867 /nfs/dbraw/zinc/09/58/67/851095867.db2.gz JSKOPSKZUMEHTG-BLFANLJRSA-N 2 0 369.409 -0.394 20 0 FBADRP [NH3+]C[C@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CS(=O)(=O)C3)CC[C@H]1C(F)(F)F ZINC001341457517 851095801 /nfs/dbraw/zinc/09/58/01/851095801.db2.gz JSKOPSKZUMEHTG-KQXIARHKSA-N 2 0 369.409 -0.394 20 0 FBADRP [NH3+]C[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CS(=O)(=O)C3)CC[C@H]1C(F)(F)F ZINC001341457519 851096136 /nfs/dbraw/zinc/09/61/36/851096136.db2.gz JSKOPSKZUMEHTG-XZUYRWCXSA-N 2 0 369.409 -0.394 20 0 FBADRP [NH3+]C[C@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CS(=O)(=O)C3)CC[C@@H]1C(F)(F)F ZINC001341457520 851096038 /nfs/dbraw/zinc/09/60/38/851096038.db2.gz JSKOPSKZUMEHTG-ZPFDUUQYSA-N 2 0 369.409 -0.394 20 0 FBADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@H]2O)CC[N@@H+]1C ZINC001341460485 851096703 /nfs/dbraw/zinc/09/67/03/851096703.db2.gz MHTRWWFHOCLMCD-KLHDSHLOSA-N 2 0 354.495 -0.254 20 0 FBADRP CC1([NH+]2CCOCC2)CCN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001341463297 851098462 /nfs/dbraw/zinc/09/84/62/851098462.db2.gz NFYUGRJRNGSPOJ-HNNXBMFYSA-N 2 0 352.479 -0.103 20 0 FBADRP CC1([NH+]2CCOCC2)CCN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001341463298 851098020 /nfs/dbraw/zinc/09/80/20/851098020.db2.gz NFYUGRJRNGSPOJ-OAHLLOKOSA-N 2 0 352.479 -0.103 20 0 FBADRP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001341503113 851104526 /nfs/dbraw/zinc/10/45/26/851104526.db2.gz PXEATCLIYRMHOD-BFYDXBDKSA-N 3 0 355.527 -0.326 20 0 FBADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001341503115 851104493 /nfs/dbraw/zinc/10/44/93/851104493.db2.gz PXEATCLIYRMHOD-INMHGKMJSA-N 3 0 355.527 -0.326 20 0 FBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C[C@H]1O ZINC001341505152 851104536 /nfs/dbraw/zinc/10/45/36/851104536.db2.gz AKDBCXNQYZAIRV-CAOSSQGBSA-N 2 0 354.495 -0.255 20 0 FBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)CCCn2ccnc2)C[C@H]1O ZINC001341505750 851105035 /nfs/dbraw/zinc/10/50/35/851105035.db2.gz DUMWRQLEXSPQRY-HUUCEWRRSA-N 2 0 351.451 -0.309 20 0 FBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1O ZINC001341506553 851105708 /nfs/dbraw/zinc/10/57/08/851105708.db2.gz NEKSILKBPPDVLB-BZUAXINKSA-N 2 0 354.495 -0.110 20 0 FBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1O ZINC001341506554 851105689 /nfs/dbraw/zinc/10/56/89/851105689.db2.gz NEKSILKBPPDVLB-OWCLPIDISA-N 2 0 354.495 -0.110 20 0 FBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1O ZINC001341507627 851106081 /nfs/dbraw/zinc/10/60/81/851106081.db2.gz VILMXYGSSJJVLZ-ARFHVFGLSA-N 2 0 352.479 -0.644 20 0 FBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1O ZINC001341507628 851105788 /nfs/dbraw/zinc/10/57/88/851105788.db2.gz VILMXYGSSJJVLZ-BZUAXINKSA-N 2 0 352.479 -0.644 20 0 FBADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001341520188 851109075 /nfs/dbraw/zinc/10/90/75/851109075.db2.gz CZDGCENFGDKKKT-INMHGKMJSA-N 2 0 356.511 -0.008 20 0 FBADRP CC(C)[C@@H](C(=O)N[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1O)[NH+](C)C ZINC001341520543 851108881 /nfs/dbraw/zinc/10/88/81/851108881.db2.gz FOVLIHJIUPQVRY-INMHGKMJSA-N 2 0 354.495 -0.255 20 0 FBADRP C[NH+]1CCC(OCC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC001341541498 851111672 /nfs/dbraw/zinc/11/16/72/851111672.db2.gz TZIPZTZRHQJOKY-CFVMTHIKSA-N 2 0 352.435 -0.509 20 0 FBADRP C[NH+]1CCC(OCC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC001341541499 851111789 /nfs/dbraw/zinc/11/17/89/851111789.db2.gz TZIPZTZRHQJOKY-YUELXQCFSA-N 2 0 352.435 -0.509 20 0 FBADRP CC[NH+](CC)CC(=O)N1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001341548085 851113907 /nfs/dbraw/zinc/11/39/07/851113907.db2.gz UHMKJWWNIPKYRA-ARFHVFGLSA-N 2 0 354.495 -0.110 20 0 FBADRP CC[NH+](CC)CC(=O)N1C[C@@H](O)[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001341548097 851113737 /nfs/dbraw/zinc/11/37/37/851113737.db2.gz UHMKJWWNIPKYRA-BZUAXINKSA-N 2 0 354.495 -0.110 20 0 FBADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001341554839 851115851 /nfs/dbraw/zinc/11/58/51/851115851.db2.gz WAFSSIKIVBSCHJ-HUUCEWRRSA-N 2 0 354.495 -0.254 20 0 FBADRP O=C([C@H]1CC(=O)N(C2C[NH2+]C2)C1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC001341555707 851115553 /nfs/dbraw/zinc/11/55/53/851115553.db2.gz MIRIEAYCAAHKGE-HNNXBMFYSA-N 2 0 350.463 -0.623 20 0 FBADRP O=C([C@@H]1CC(=O)N(C2C[NH2+]C2)C1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC001341555708 851116062 /nfs/dbraw/zinc/11/60/62/851116062.db2.gz MIRIEAYCAAHKGE-OAHLLOKOSA-N 2 0 350.463 -0.623 20 0 FBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001341585527 851121540 /nfs/dbraw/zinc/12/15/40/851121540.db2.gz ODKFDSRYEQNOKR-RKVPGOIHSA-N 2 0 352.479 -0.329 20 0 FBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001341585530 851121105 /nfs/dbraw/zinc/12/11/05/851121105.db2.gz ODKFDSRYEQNOKR-VKJFTORMSA-N 2 0 352.479 -0.329 20 0 FBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC001341587957 851121283 /nfs/dbraw/zinc/12/12/83/851121283.db2.gz YPQSNVMLIMANIE-BBRMVZONSA-N 2 0 350.463 -0.189 20 0 FBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC001341587958 851121524 /nfs/dbraw/zinc/12/15/24/851121524.db2.gz YPQSNVMLIMANIE-CJNGLKHVSA-N 2 0 350.463 -0.189 20 0 FBADRP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC001341587960 851121349 /nfs/dbraw/zinc/12/13/49/851121349.db2.gz YPQSNVMLIMANIE-CZUORRHYSA-N 2 0 350.463 -0.189 20 0 FBADRP C[NH2+]C[C@@H](O)[C@H](C)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC001341587962 851121507 /nfs/dbraw/zinc/12/15/07/851121507.db2.gz YPQSNVMLIMANIE-XJKSGUPXSA-N 2 0 350.463 -0.189 20 0 FBADRP [NH3+]CCN1CCC[C@H](C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1=O ZINC001341614339 851127196 /nfs/dbraw/zinc/12/71/96/851127196.db2.gz PMHONIGNNLNANN-GDBMZVCRSA-N 2 0 352.479 -0.199 20 0 FBADRP [NH3+]CCN1CCC[C@H](C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1=O ZINC001341614340 851127602 /nfs/dbraw/zinc/12/76/02/851127602.db2.gz PMHONIGNNLNANN-GOEBONIOSA-N 2 0 352.479 -0.199 20 0 FBADRP [NH3+]CCN1CCC[C@@H](C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1=O ZINC001341614341 851127510 /nfs/dbraw/zinc/12/75/10/851127510.db2.gz PMHONIGNNLNANN-HOCLYGCPSA-N 2 0 352.479 -0.199 20 0 FBADRP [NH3+]CCN1CCC[C@@H](C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1=O ZINC001341614342 851127116 /nfs/dbraw/zinc/12/71/16/851127116.db2.gz PMHONIGNNLNANN-ZBFHGGJFSA-N 2 0 352.479 -0.199 20 0 FBADRP O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2 ZINC001341616221 851128553 /nfs/dbraw/zinc/12/85/53/851128553.db2.gz XMFLTTFBUOYMEE-KEYYUXOJSA-N 2 0 371.503 -0.762 20 0 FBADRP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2 ZINC001341616222 851128580 /nfs/dbraw/zinc/12/85/80/851128580.db2.gz XMFLTTFBUOYMEE-ZQIUZPCESA-N 2 0 371.503 -0.762 20 0 FBADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CS(=O)(=O)C3)C1 ZINC001341620267 851129797 /nfs/dbraw/zinc/12/97/97/851129797.db2.gz UYEKLHVEAYIRLL-VYDXJSESSA-N 2 0 355.504 -0.189 20 0 FBADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CS(=O)(=O)C3)C1 ZINC001341620269 851129826 /nfs/dbraw/zinc/12/98/26/851129826.db2.gz UYEKLHVEAYIRLL-ZOBUZTSGSA-N 2 0 355.504 -0.189 20 0 FBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)CCNC(=O)[C@H]([NH3+])C(C)C)CC1 ZINC001341625832 851129500 /nfs/dbraw/zinc/12/95/00/851129500.db2.gz AWHIJSDYDUIWCK-DOTOQJQBSA-N 2 0 355.527 -0.134 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)CCNC(=O)[C@H]([NH3+])C(C)C)CC1 ZINC001341625833 851129473 /nfs/dbraw/zinc/12/94/73/851129473.db2.gz AWHIJSDYDUIWCK-NVXWUHKLSA-N 2 0 355.527 -0.134 20 0 FBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)CCNC(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC001341625834 851129916 /nfs/dbraw/zinc/12/99/16/851129916.db2.gz AWHIJSDYDUIWCK-RDJZCZTQSA-N 2 0 355.527 -0.134 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)CCNC(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC001341625835 851130041 /nfs/dbraw/zinc/13/00/41/851130041.db2.gz AWHIJSDYDUIWCK-WBVHZDCISA-N 2 0 355.527 -0.134 20 0 FBADRP C[NH+](C)CCCCC(=O)N1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001341630013 851131000 /nfs/dbraw/zinc/13/10/00/851131000.db2.gz PMTHKXYFBQDURU-HUUCEWRRSA-N 2 0 352.479 -0.498 20 0 FBADRP O=C(NCC[NH2+]CCNC(=O)[C@@H]1CCCCC[NH2+]1)[C@@H]1CCCCC[NH2+]1 ZINC001341634855 851133587 /nfs/dbraw/zinc/13/35/87/851133587.db2.gz JVUSCKJZBGNJTO-HOTGVXAUSA-N 3 0 353.511 -0.127 20 0 FBADRP O=C(NCC[NH2+]CCNC(=O)[C@H]1CCCCC[NH2+]1)[C@H]1CCCCC[NH2+]1 ZINC001341634856 851133323 /nfs/dbraw/zinc/13/33/23/851133323.db2.gz JVUSCKJZBGNJTO-HZPDHXFCSA-N 3 0 353.511 -0.127 20 0 FBADRP O=C(NCC[NH2+]CCNC(=O)[C@@H]1CCCCC[NH2+]1)[C@H]1CCCCC[NH2+]1 ZINC001341634857 851133345 /nfs/dbraw/zinc/13/33/45/851133345.db2.gz JVUSCKJZBGNJTO-IYBDPMFKSA-N 3 0 353.511 -0.127 20 0 FBADRP COCC[NH2+]CCNC(=O)c1cc(Br)cn(CC[NH3+])c1=O ZINC001341643827 851133254 /nfs/dbraw/zinc/13/32/54/851133254.db2.gz PGISRUTWOBMFSC-UHFFFAOYSA-N 2 0 361.240 -0.465 20 0 FBADRP C[NH+](C)CCCCC(=O)N[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1O ZINC001341656957 851135748 /nfs/dbraw/zinc/13/57/48/851135748.db2.gz IBBGEPKPLMXXGX-HZPDHXFCSA-N 2 0 354.495 -0.252 20 0 FBADRP CC(C)[C@@H](C(=O)N[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1O)[NH+](C)C ZINC001341664238 851136204 /nfs/dbraw/zinc/13/62/04/851136204.db2.gz QUAFRRIBUZHLSX-KFWWJZLASA-N 2 0 354.495 -0.255 20 0 FBADRP CC(C)[C@@H](C(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1O)[NH+](C)C ZINC001341664595 851137924 /nfs/dbraw/zinc/13/79/24/851137924.db2.gz XKKJJWODMXDQEH-KFWWJZLASA-N 2 0 352.479 -0.644 20 0 FBADRP CC(C)[C@H](C(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1O)[NH+](C)C ZINC001341664596 851137794 /nfs/dbraw/zinc/13/77/94/851137794.db2.gz XKKJJWODMXDQEH-RBSFLKMASA-N 2 0 352.479 -0.644 20 0 FBADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC001341666290 851138038 /nfs/dbraw/zinc/13/80/38/851138038.db2.gz SWXYRZHZSKLQLC-AAEUAGOBSA-N 2 0 367.416 -0.572 20 0 FBADRP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC001341666291 851137523 /nfs/dbraw/zinc/13/75/23/851137523.db2.gz SWXYRZHZSKLQLC-DGCLKSJQSA-N 2 0 367.416 -0.572 20 0 FBADRP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC001341666292 851137873 /nfs/dbraw/zinc/13/78/73/851137873.db2.gz SWXYRZHZSKLQLC-WCQYABFASA-N 2 0 367.416 -0.572 20 0 FBADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC001341666293 851137864 /nfs/dbraw/zinc/13/78/64/851137864.db2.gz SWXYRZHZSKLQLC-YPMHNXCESA-N 2 0 367.416 -0.572 20 0 FBADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001341667522 851137907 /nfs/dbraw/zinc/13/79/07/851137907.db2.gz ZKWGOTPTJCMICN-BZPMIXESSA-N 2 0 350.385 -0.435 20 0 FBADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001341667523 851137868 /nfs/dbraw/zinc/13/78/68/851137868.db2.gz ZKWGOTPTJCMICN-DYEKYZERSA-N 2 0 350.385 -0.435 20 0 FBADRP O=C(CN1CCCS1(=O)=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001341678946 851140198 /nfs/dbraw/zinc/14/01/98/851140198.db2.gz BLAIVMDLVPNXST-GASCZTMLSA-N 2 0 356.492 -0.551 20 0 FBADRP [NH3+]CCn1cc(Br)cc(C(=O)NC[C@H]2C[NH2+]CCCO2)c1=O ZINC001341689912 851141184 /nfs/dbraw/zinc/14/11/84/851141184.db2.gz TVOHNJKDLGNHPO-LLVKDONJSA-N 2 0 373.251 -0.322 20 0 FBADRP [NH3+]CCn1cc(Br)cc(C(=O)NC[C@@H]2C[NH2+]CCCO2)c1=O ZINC001341689913 851141140 /nfs/dbraw/zinc/14/11/40/851141140.db2.gz TVOHNJKDLGNHPO-NSHDSACASA-N 2 0 373.251 -0.322 20 0 FBADRP C[C@@H]([NH3+])C1(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CCOCC1 ZINC001341699975 851143285 /nfs/dbraw/zinc/14/32/85/851143285.db2.gz IMPHKGZBKGTCGT-CVEARBPZSA-N 2 0 354.495 -0.347 20 0 FBADRP C[C@H]([NH3+])C1(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CCOCC1 ZINC001341699977 851143355 /nfs/dbraw/zinc/14/33/55/851143355.db2.gz IMPHKGZBKGTCGT-HOTGVXAUSA-N 2 0 354.495 -0.347 20 0 FBADRP C[C@@H]([NH3+])C1(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CCOCC1 ZINC001341699980 851143074 /nfs/dbraw/zinc/14/30/74/851143074.db2.gz IMPHKGZBKGTCGT-HZPDHXFCSA-N 2 0 354.495 -0.347 20 0 FBADRP C[C@H]([NH3+])C1(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CCOCC1 ZINC001341699983 851143133 /nfs/dbraw/zinc/14/31/33/851143133.db2.gz IMPHKGZBKGTCGT-JKSUJKDBSA-N 2 0 354.495 -0.347 20 0 FBADRP CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@]23C[NH2+]C[C@H]2CS(=O)(=O)C3)CC1 ZINC001341731363 851148597 /nfs/dbraw/zinc/14/85/97/851148597.db2.gz DBICHRAQPWWUQX-VYDXJSESSA-N 2 0 372.535 -0.990 20 0 FBADRP CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@]23C[NH2+]C[C@H]2CS(=O)(=O)C3)CC1 ZINC001341731364 851148513 /nfs/dbraw/zinc/14/85/13/851148513.db2.gz DBICHRAQPWWUQX-ZOBUZTSGSA-N 2 0 372.535 -0.990 20 0 FBADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[NH2+]CCNC(=O)[C@H]1CC[NH2+][C@H]1CC ZINC001341733787 851148474 /nfs/dbraw/zinc/14/84/74/851148474.db2.gz PTIUGFDCPKSESN-FZKCQIBNSA-N 3 0 353.511 -0.415 20 0 FBADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCC[NH2+]CCNC(=O)[C@H]1CC[NH2+][C@H]1CC ZINC001341733789 851148682 /nfs/dbraw/zinc/14/86/82/851148682.db2.gz PTIUGFDCPKSESN-GEEKYZPCSA-N 3 0 353.511 -0.415 20 0 FBADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[NH2+]CCNC(=O)[C@H]1CC[NH2+][C@H]1CC ZINC001341733790 851148394 /nfs/dbraw/zinc/14/83/94/851148394.db2.gz PTIUGFDCPKSESN-VGWMRTNUSA-N 3 0 353.511 -0.415 20 0 FBADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCC[NH2+]CCNC(=O)[C@H]1CC[NH2+][C@H]1CC ZINC001341733792 851148894 /nfs/dbraw/zinc/14/88/94/851148894.db2.gz PTIUGFDCPKSESN-YHUYYLMFSA-N 3 0 353.511 -0.415 20 0 FBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001341738613 851150436 /nfs/dbraw/zinc/15/04/36/851150436.db2.gz USWCRPOLYDROQS-BZUAXINKSA-N 2 0 354.495 -0.110 20 0 FBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001341738614 851150985 /nfs/dbraw/zinc/15/09/85/851150985.db2.gz USWCRPOLYDROQS-OWCLPIDISA-N 2 0 354.495 -0.110 20 0 FBADRP C[C@H]1C[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C2)CC[N@@H+]1C ZINC001341747225 851150607 /nfs/dbraw/zinc/15/06/07/851150607.db2.gz KOHFWLOIPWPXSP-CAOSSQGBSA-N 2 0 354.495 -0.254 20 0 FBADRP C[NH+](C)CCCC(=O)N[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1O ZINC001341747240 851150675 /nfs/dbraw/zinc/15/06/75/851150675.db2.gz KTSSASBGYPYDLJ-ARFHVFGLSA-N 2 0 352.479 -0.642 20 0 FBADRP C[NH+](C)CCCC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1O ZINC001341747242 851150644 /nfs/dbraw/zinc/15/06/44/851150644.db2.gz KTSSASBGYPYDLJ-BZUAXINKSA-N 2 0 352.479 -0.642 20 0 FBADRP CC[NH+](CC)[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1)C(C)C ZINC001341765822 851154904 /nfs/dbraw/zinc/15/49/04/851154904.db2.gz RSNVCJAFPMRHFX-BFYDXBDKSA-N 2 0 356.511 -0.008 20 0 FBADRP CC[NH+](CC)[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1)C(C)C ZINC001341765826 851155248 /nfs/dbraw/zinc/15/52/48/851155248.db2.gz RSNVCJAFPMRHFX-INMHGKMJSA-N 2 0 356.511 -0.008 20 0 FBADRP O=C(N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2 ZINC001341776853 851156057 /nfs/dbraw/zinc/15/60/57/851156057.db2.gz BXISTUYLWAPOFO-AESZEHBQSA-N 2 0 355.504 -0.141 20 0 FBADRP O=C(N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2 ZINC001341776855 851157061 /nfs/dbraw/zinc/15/70/61/851157061.db2.gz BXISTUYLWAPOFO-AIANPOQGSA-N 2 0 355.504 -0.141 20 0 FBADRP O=C(N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2 ZINC001341776857 851156869 /nfs/dbraw/zinc/15/68/69/851156869.db2.gz BXISTUYLWAPOFO-IVSAIRAKSA-N 2 0 355.504 -0.141 20 0 FBADRP O=C(N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2 ZINC001341776860 851156929 /nfs/dbraw/zinc/15/69/29/851156929.db2.gz BXISTUYLWAPOFO-JKQORVJESA-N 2 0 355.504 -0.141 20 0 FBADRP C[NH2+]C1(C(=O)N2CCNCCN(C(=O)C3([NH2+]C)CCC3)CC2)CCC1 ZINC001341779726 851156757 /nfs/dbraw/zinc/15/67/57/851156757.db2.gz GDVLCVWFJRHUEK-UHFFFAOYSA-N 2 0 351.495 -0.469 20 0 FBADRP O=C([C@H]1CCCC[NH2+]1)N1CCNCCN(C(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC001341781760 851156952 /nfs/dbraw/zinc/15/69/52/851156952.db2.gz RSTGJPPGGDUFOE-HZPDHXFCSA-N 2 0 351.495 -0.469 20 0 FBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C[C@H]1CNCCS1(=O)=O ZINC001341794694 851160319 /nfs/dbraw/zinc/16/03/19/851160319.db2.gz FZVDLBDOPKZRRR-HNNXBMFYSA-N 2 0 362.540 -0.505 20 0 FBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C[C@@H]1CNCCS1(=O)=O ZINC001341794697 851159920 /nfs/dbraw/zinc/15/99/20/851159920.db2.gz FZVDLBDOPKZRRR-OAHLLOKOSA-N 2 0 362.540 -0.505 20 0 FBADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@H]2O)C1 ZINC001341812884 851161053 /nfs/dbraw/zinc/16/10/53/851161053.db2.gz ATDIXFOCVNEMKB-ARFHVFGLSA-N 2 0 354.495 -0.252 20 0 FBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@H]2O)C1 ZINC001341812886 851161243 /nfs/dbraw/zinc/16/12/43/851161243.db2.gz ATDIXFOCVNEMKB-BZUAXINKSA-N 2 0 354.495 -0.252 20 0 FBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]2O)C1 ZINC001341815095 851163711 /nfs/dbraw/zinc/16/37/11/851163711.db2.gz VYRFKVPBYCVAJU-RBSFLKMASA-N 2 0 352.479 -0.642 20 0 FBADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]2O)C1 ZINC001341815097 851163973 /nfs/dbraw/zinc/16/39/73/851163973.db2.gz VYRFKVPBYCVAJU-RRFJBIMHSA-N 2 0 352.479 -0.642 20 0 FBADRP C[NH+](C)CCN1C[C@@H](C(=O)NCCCCCN2CC[NH2+]CC2)CC1=O ZINC001341821892 851164757 /nfs/dbraw/zinc/16/47/57/851164757.db2.gz GXKZIYKOEFVGSU-INIZCTEOSA-N 2 0 353.511 -0.412 20 0 FBADRP C[NH+](C)CCN1C[C@H](C(=O)NCCCCCN2CC[NH2+]CC2)CC1=O ZINC001341821893 851164659 /nfs/dbraw/zinc/16/46/59/851164659.db2.gz GXKZIYKOEFVGSU-MRXNPFEDSA-N 2 0 353.511 -0.412 20 0 FBADRP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)CC1 ZINC001341847121 851169781 /nfs/dbraw/zinc/16/97/81/851169781.db2.gz KGWXDFKQCZWXKG-FRFSOERESA-N 2 0 350.463 -0.448 20 0 FBADRP [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)CC1 ZINC001341847122 851169693 /nfs/dbraw/zinc/16/96/93/851169693.db2.gz KGWXDFKQCZWXKG-LXZKKBNFSA-N 2 0 350.463 -0.448 20 0 FBADRP [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)CC1 ZINC001341847123 851169686 /nfs/dbraw/zinc/16/96/86/851169686.db2.gz KGWXDFKQCZWXKG-UNEWFSDZSA-N 2 0 350.463 -0.448 20 0 FBADRP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)CC1 ZINC001341847124 851169817 /nfs/dbraw/zinc/16/98/17/851169817.db2.gz KGWXDFKQCZWXKG-YSVLISHTSA-N 2 0 350.463 -0.448 20 0 FBADRP C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC[C@@H]1C[NH3+] ZINC001341880154 851172301 /nfs/dbraw/zinc/17/23/01/851172301.db2.gz UWLXXBBHZUWFAA-BZUAXINKSA-N 2 0 352.479 -0.390 20 0 FBADRP C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC[C@@H]1C[NH3+] ZINC001341880157 851172129 /nfs/dbraw/zinc/17/21/29/851172129.db2.gz UWLXXBBHZUWFAA-OAGGEKHMSA-N 2 0 352.479 -0.390 20 0 FBADRP C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC[C@H]1C[NH3+] ZINC001341880160 851172263 /nfs/dbraw/zinc/17/22/63/851172263.db2.gz UWLXXBBHZUWFAA-OWCLPIDISA-N 2 0 352.479 -0.390 20 0 FBADRP C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC[C@H]1C[NH3+] ZINC001341880163 851171757 /nfs/dbraw/zinc/17/17/57/851171757.db2.gz UWLXXBBHZUWFAA-PMPSAXMXSA-N 2 0 352.479 -0.390 20 0 FBADRP CN(C(=O)c1cc(Br)cn(CC[NH3+])c1=O)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001342011903 851186924 /nfs/dbraw/zinc/18/69/24/851186924.db2.gz XCGRVNBKTWNNFP-GDNZZTSVSA-N 2 0 355.236 -0.141 20 0 FBADRP C[NH+]1CCC(OCC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC001342083944 851196176 /nfs/dbraw/zinc/19/61/76/851196176.db2.gz JMVABWQVIHZSBO-INIZCTEOSA-N 2 0 354.495 -0.380 20 0 FBADRP C[NH+]1CCC(OCC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC001342083945 851196482 /nfs/dbraw/zinc/19/64/82/851196482.db2.gz JMVABWQVIHZSBO-MRXNPFEDSA-N 2 0 354.495 -0.380 20 0 FBADRP O=C(NCC1(O)C[NH2+]C1)c1cc(Br)c2c(c1)C[NH2+]CCO2 ZINC001342088085 851196597 /nfs/dbraw/zinc/19/65/97/851196597.db2.gz RXFCECWWNYTFTB-UHFFFAOYSA-N 2 0 356.220 -0.005 20 0 FBADRP CCC[C@H]1CN(C(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)CC[N@@H+]1CCOC ZINC001342141010 851202930 /nfs/dbraw/zinc/20/29/30/851202930.db2.gz QFWXMUZETNPPPH-CABCVRRESA-N 2 0 352.479 -0.234 20 0 FBADRP CCC[C@H]1CN(C(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)CC[N@@H+]1CCOC ZINC001342141011 851202283 /nfs/dbraw/zinc/20/22/83/851202283.db2.gz QFWXMUZETNPPPH-GJZGRUSLSA-N 2 0 352.479 -0.234 20 0 FBADRP CCC[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)CC[N@@H+]1CCOC ZINC001342141013 851202335 /nfs/dbraw/zinc/20/23/35/851202335.db2.gz QFWXMUZETNPPPH-HUUCEWRRSA-N 2 0 352.479 -0.234 20 0 FBADRP CCC[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)CC[N@@H+]1CCOC ZINC001342141014 851202557 /nfs/dbraw/zinc/20/25/57/851202557.db2.gz QFWXMUZETNPPPH-LSDHHAIUSA-N 2 0 352.479 -0.234 20 0 FBADRP O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21)C1=NOC2(C1)CC[NH2+]CC2 ZINC001342147014 851203803 /nfs/dbraw/zinc/20/38/03/851203803.db2.gz GSQJOSCKYGHMHD-XJKSGUPXSA-N 2 0 352.435 -0.773 20 0 FBADRP O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC001342147648 851204073 /nfs/dbraw/zinc/20/40/73/851204073.db2.gz MAEYQVWNJYMZKM-IAOVAPTHSA-N 2 0 352.435 -0.773 20 0 FBADRP O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC001342147654 851203686 /nfs/dbraw/zinc/20/36/86/851203686.db2.gz MAEYQVWNJYMZKM-XKQJLSEDSA-N 2 0 352.435 -0.773 20 0 FBADRP C[NH+](C)C[C@@H]1CCN(C(=O)COCC(=O)N2CC[C@@H](C[NH+](C)C)C2)C1 ZINC001342153684 851205056 /nfs/dbraw/zinc/20/50/56/851205056.db2.gz JTIPSGGKTPZUAS-HOTGVXAUSA-N 2 0 354.495 -0.177 20 0 FBADRP C[NH+](C)C[C@H]1CCN(C(=O)COCC(=O)N2CC[C@H](C[NH+](C)C)C2)C1 ZINC001342153686 851204774 /nfs/dbraw/zinc/20/47/74/851204774.db2.gz JTIPSGGKTPZUAS-HZPDHXFCSA-N 2 0 354.495 -0.177 20 0 FBADRP C[NH+](C)C[C@@H]1CCN(C(=O)COCC(=O)N2CC[C@H](C[NH+](C)C)C2)C1 ZINC001342153688 851204626 /nfs/dbraw/zinc/20/46/26/851204626.db2.gz JTIPSGGKTPZUAS-IYBDPMFKSA-N 2 0 354.495 -0.177 20 0 FBADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)[C@H]3CC(=O)N(C4C[NH2+]C4)C3)C2)C1 ZINC001342154506 851204877 /nfs/dbraw/zinc/20/48/77/851204877.db2.gz GCPDNGPMVXZHDT-AYDFFVQHSA-N 2 0 350.463 -0.448 20 0 FBADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)[C@H]3CC(=O)N(C4C[NH2+]C4)C3)C2)C1 ZINC001342154507 851204483 /nfs/dbraw/zinc/20/44/83/851204483.db2.gz GCPDNGPMVXZHDT-CTASWTNQSA-N 2 0 350.463 -0.448 20 0 FBADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)[C@@H]3CC(=O)N(C4C[NH2+]C4)C3)C2)C1 ZINC001342154508 851205198 /nfs/dbraw/zinc/20/51/98/851205198.db2.gz GCPDNGPMVXZHDT-KQTLUZQSSA-N 2 0 350.463 -0.448 20 0 FBADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)[C@@H]3CC(=O)N(C4C[NH2+]C4)C3)C2)C1 ZINC001342154509 851204763 /nfs/dbraw/zinc/20/47/63/851204763.db2.gz GCPDNGPMVXZHDT-NHIYQJMISA-N 2 0 350.463 -0.448 20 0 FBADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)C1 ZINC001342159929 851204494 /nfs/dbraw/zinc/20/44/94/851204494.db2.gz QLMGGFQFZVUMHM-VDERGJSUSA-N 2 0 350.463 -0.306 20 0 FBADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)C1 ZINC001342159930 851204831 /nfs/dbraw/zinc/20/48/31/851204831.db2.gz QLMGGFQFZVUMHM-XNISGKROSA-N 2 0 350.463 -0.306 20 0 FBADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)C1 ZINC001342159931 851205103 /nfs/dbraw/zinc/20/51/03/851205103.db2.gz QLMGGFQFZVUMHM-XOUADPBQSA-N 2 0 350.463 -0.306 20 0 FBADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)C1 ZINC001342159932 851205032 /nfs/dbraw/zinc/20/50/32/851205032.db2.gz QLMGGFQFZVUMHM-XRGAULLZSA-N 2 0 350.463 -0.306 20 0 FBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)C[NH+]2CCC(CO)CC2)CC1 ZINC001342167667 851206308 /nfs/dbraw/zinc/20/63/08/851206308.db2.gz ZXALBLRATDXHLA-UHFFFAOYSA-N 2 0 354.495 -0.203 20 0 FBADRP [NH3+]CCn1cc(Br)cc(C(=O)N2CCOC3(C[NH2+]C3)C2)c1=O ZINC001342190757 851209034 /nfs/dbraw/zinc/20/90/34/851209034.db2.gz WGCFTCPTOBGDNV-UHFFFAOYSA-N 2 0 371.235 -0.616 20 0 FBADRP [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC001342258935 851213954 /nfs/dbraw/zinc/21/39/54/851213954.db2.gz IHFQHZDAQSPPGI-HDMKZQKVSA-N 2 0 350.463 -0.493 20 0 FBADRP [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC001342258937 851214303 /nfs/dbraw/zinc/21/43/03/851214303.db2.gz IHFQHZDAQSPPGI-IIDMSEBBSA-N 2 0 350.463 -0.493 20 0 FBADRP [NH3+]C[C@]12CC[C@H]1CCN2C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC001342258940 851214185 /nfs/dbraw/zinc/21/41/85/851214185.db2.gz IHFQHZDAQSPPGI-RLFYNMQTSA-N 2 0 350.463 -0.493 20 0 FBADRP [NH3+]C[C@]12CC[C@H]1CCN2C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC001342258942 851214524 /nfs/dbraw/zinc/21/45/24/851214524.db2.gz IHFQHZDAQSPPGI-RVKKMQEKSA-N 2 0 350.463 -0.493 20 0 FBADRP O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2 ZINC001342273205 851215430 /nfs/dbraw/zinc/21/54/30/851215430.db2.gz XDLWSSSQLXXAFZ-VYDXJSESSA-N 2 0 355.504 -0.141 20 0 FBADRP O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2 ZINC001342273208 851215399 /nfs/dbraw/zinc/21/53/99/851215399.db2.gz XDLWSSSQLXXAFZ-ZOBUZTSGSA-N 2 0 355.504 -0.141 20 0 FBADRP C[NH2+]CCOCCNC(=O)c1cc(Br)cn(CC[NH3+])c1=O ZINC001342301013 851218945 /nfs/dbraw/zinc/21/89/45/851218945.db2.gz HCHZMGUPIRQURU-UHFFFAOYSA-N 2 0 361.240 -0.465 20 0 FBADRP O=C([C@@H]1[NH2+]CC12CCOCC2)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001342306214 851219654 /nfs/dbraw/zinc/21/96/54/851219654.db2.gz GYKBSRRRBYLCIL-CRWXNKLISA-N 2 0 350.419 -0.852 20 0 FBADRP O=C([C@@H]1[NH2+]CC12CCOCC2)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001342306216 851219401 /nfs/dbraw/zinc/21/94/01/851219401.db2.gz GYKBSRRRBYLCIL-MQYQWHSLSA-N 2 0 350.419 -0.852 20 0 FBADRP O=C([C@H]1[NH2+]CC12CCOCC2)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001342306219 851219337 /nfs/dbraw/zinc/21/93/37/851219337.db2.gz GYKBSRRRBYLCIL-RFQIPJPRSA-N 2 0 350.419 -0.852 20 0 FBADRP O=C([C@H]1[NH2+]CC12CCOCC2)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001342306221 851219358 /nfs/dbraw/zinc/21/93/58/851219358.db2.gz GYKBSRRRBYLCIL-YIYPIFLZSA-N 2 0 350.419 -0.852 20 0 FBADRP C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3CS(=O)(=O)C4)C[C@H]2C1 ZINC001342349244 851222906 /nfs/dbraw/zinc/22/29/06/851222906.db2.gz PNJJHFMNUYOODC-GAGVYUBLSA-N 2 0 355.504 -0.191 20 0 FBADRP C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3CS(=O)(=O)C4)C[C@@H]2C1 ZINC001342349249 851223002 /nfs/dbraw/zinc/22/30/02/851223002.db2.gz PNJJHFMNUYOODC-HNLJFRNMSA-N 2 0 355.504 -0.191 20 0 FBADRP C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3CS(=O)(=O)C4)C[C@@H]2C1 ZINC001342349255 851222975 /nfs/dbraw/zinc/22/29/75/851222975.db2.gz PNJJHFMNUYOODC-JGFGOLAASA-N 2 0 355.504 -0.191 20 0 FBADRP C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3CS(=O)(=O)C4)C[C@H]2C1 ZINC001342349260 851223179 /nfs/dbraw/zinc/22/31/79/851223179.db2.gz PNJJHFMNUYOODC-SVZOTFJBSA-N 2 0 355.504 -0.191 20 0 FBADRP C[C@H]([NH3+])C1(C(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)CCOCC1 ZINC001342356225 851224027 /nfs/dbraw/zinc/22/40/27/851224027.db2.gz YNAORGNJAKLDTA-DZGCQCFKSA-N 2 0 352.479 -0.058 20 0 FBADRP C[C@@H]([NH3+])C1(C(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)CCOCC1 ZINC001342356229 851223892 /nfs/dbraw/zinc/22/38/92/851223892.db2.gz YNAORGNJAKLDTA-HIFRSBDPSA-N 2 0 352.479 -0.058 20 0 FBADRP C[C@@H]([NH3+])C1(C(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)CCOCC1 ZINC001342356233 851224241 /nfs/dbraw/zinc/22/42/41/851224241.db2.gz YNAORGNJAKLDTA-UKRRQHHQSA-N 2 0 352.479 -0.058 20 0 FBADRP C[C@H]([NH3+])C1(C(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)CCOCC1 ZINC001342356236 851224292 /nfs/dbraw/zinc/22/42/92/851224292.db2.gz YNAORGNJAKLDTA-ZFWWWQNUSA-N 2 0 352.479 -0.058 20 0 FBADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001342392349 851227564 /nfs/dbraw/zinc/22/75/64/851227564.db2.gz NJKNDAAHXWBVTH-KRWDZBQOSA-N 2 0 353.511 -0.286 20 0 FBADRP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001342392350 851227684 /nfs/dbraw/zinc/22/76/84/851227684.db2.gz NJKNDAAHXWBVTH-QGZVFWFLSA-N 2 0 353.511 -0.286 20 0 FBADRP [NH3+]C[C@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CS(=O)(=O)C3)C[C@@H]1C(F)(F)F ZINC001342420765 851230724 /nfs/dbraw/zinc/23/07/24/851230724.db2.gz BROKOMZXTXIEER-GMOBBJLQSA-N 2 0 355.382 -0.784 20 0 FBADRP [NH3+]C[C@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CS(=O)(=O)C3)C[C@H]1C(F)(F)F ZINC001342420766 851230987 /nfs/dbraw/zinc/23/09/87/851230987.db2.gz BROKOMZXTXIEER-GUDRVLHUSA-N 2 0 355.382 -0.784 20 0 FBADRP [NH3+]C[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CS(=O)(=O)C3)C[C@H]1C(F)(F)F ZINC001342420767 851230750 /nfs/dbraw/zinc/23/07/50/851230750.db2.gz BROKOMZXTXIEER-KLBPJQLPSA-N 2 0 355.382 -0.784 20 0 FBADRP [NH3+]C[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CS(=O)(=O)C3)C[C@@H]1C(F)(F)F ZINC001342420768 851230822 /nfs/dbraw/zinc/23/08/22/851230822.db2.gz BROKOMZXTXIEER-WDCWCFNPSA-N 2 0 355.382 -0.784 20 0 FBADRP CS(=O)(=O)N1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001342530880 851240069 /nfs/dbraw/zinc/24/00/69/851240069.db2.gz TZODMPLIJHDCSQ-OWCLPIDISA-N 2 0 370.519 -0.162 20 0 FBADRP CS(=O)(=O)N1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001342530881 851239992 /nfs/dbraw/zinc/23/99/92/851239992.db2.gz TZODMPLIJHDCSQ-XHSDSOJGSA-N 2 0 370.519 -0.162 20 0 FBADRP C[NH2+][C@H](CNC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@@H]12)Cc1ccccc1 ZINC001342553269 851240576 /nfs/dbraw/zinc/24/05/76/851240576.db2.gz JFYBYKNECDQWQD-LTIDMASMSA-N 2 0 365.499 -0.044 20 0 FBADRP C[NH2+][C@H](CNC(=O)C[C@@H]1CS(=O)(=O)[C@H]2C[NH2+]C[C@H]21)Cc1ccccc1 ZINC001342553272 851240437 /nfs/dbraw/zinc/24/04/37/851240437.db2.gz JFYBYKNECDQWQD-QZWWFDLISA-N 2 0 365.499 -0.044 20 0 FBADRP C[NH2+][C@H](CNC(=O)C[C@@H]1CS(=O)(=O)[C@H]2C[NH2+]C[C@@H]21)Cc1ccccc1 ZINC001342553277 851241718 /nfs/dbraw/zinc/24/17/18/851241718.db2.gz JFYBYKNECDQWQD-TWMKSMIVSA-N 2 0 365.499 -0.044 20 0 FBADRP C[NH2+][C@H](CNC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@H]12)Cc1ccccc1 ZINC001342553281 851241741 /nfs/dbraw/zinc/24/17/41/851241741.db2.gz JFYBYKNECDQWQD-YYIAUSFCSA-N 2 0 365.499 -0.044 20 0 FBADRP C[NH+](C)CC[C@@H](NC(=O)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2)c1cccnc1 ZINC001342622048 851247029 /nfs/dbraw/zinc/24/70/29/851247029.db2.gz DDOMHGPZHVEZKV-UXLLHSPISA-N 2 0 366.487 -0.175 20 0 FBADRP C[NH+](C)CC[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2)c1cccnc1 ZINC001342622049 851246918 /nfs/dbraw/zinc/24/69/18/851246918.db2.gz DDOMHGPZHVEZKV-ZOBUZTSGSA-N 2 0 366.487 -0.175 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC[C@@]([NH3+])(CO)C2)CC1=O ZINC001342628695 851248567 /nfs/dbraw/zinc/24/85/67/851248567.db2.gz RHQKMNJUGOPVKI-DAYGRLMNSA-N 2 0 352.479 -0.369 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC[C@]([NH3+])(CO)C2)CC1=O ZINC001342628697 851247828 /nfs/dbraw/zinc/24/78/28/851247828.db2.gz RHQKMNJUGOPVKI-HDMKZQKVSA-N 2 0 352.479 -0.369 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[C@]([NH3+])(CO)C2)CC1=O ZINC001342628700 851248451 /nfs/dbraw/zinc/24/84/51/851248451.db2.gz RHQKMNJUGOPVKI-IIDMSEBBSA-N 2 0 352.479 -0.369 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[C@@]([NH3+])(CO)C2)CC1=O ZINC001342628703 851248264 /nfs/dbraw/zinc/24/82/64/851248264.db2.gz RHQKMNJUGOPVKI-RKVPGOIHSA-N 2 0 352.479 -0.369 20 0 FBADRP CC1(C)C[NH2+][C@H]1C(=O)N1CCNCCN(C(=O)[C@@H]2[NH2+]CC2(C)C)CC1 ZINC001342643186 851249052 /nfs/dbraw/zinc/24/90/52/851249052.db2.gz LQVXYYCALHARNS-KBPBESRZSA-N 2 0 351.495 -0.757 20 0 FBADRP CC1(C)C[NH2+][C@H]1C(=O)N1CCNCCN(C(=O)[C@H]2[NH2+]CC2(C)C)CC1 ZINC001342643190 851249688 /nfs/dbraw/zinc/24/96/88/851249688.db2.gz LQVXYYCALHARNS-OKILXGFUSA-N 2 0 351.495 -0.757 20 0 FBADRP CC1(C)C[NH2+][C@@H]1C(=O)N1CCNCCN(C(=O)[C@H]2[NH2+]CC2(C)C)CC1 ZINC001342643451 851249608 /nfs/dbraw/zinc/24/96/08/851249608.db2.gz LQVXYYCALHARNS-ZIAGYGMSSA-N 2 0 351.495 -0.757 20 0 FBADRP COCCn1c(C2=[NH+]O[C@@H](CO)C2)nnc1N1CC[N@H+](C)C(C)(C)C1 ZINC001342738012 851257047 /nfs/dbraw/zinc/25/70/47/851257047.db2.gz JKVNKTHDMICWNM-GFCCVEGCSA-N 2 0 352.439 -0.060 20 0 FBADRP COCCn1c(C2=[NH+]O[C@H](CO)C2)nnc1N1CC[N@H+](C)C(C)(C)C1 ZINC001342738013 851257187 /nfs/dbraw/zinc/25/71/87/851257187.db2.gz JKVNKTHDMICWNM-LBPRGKRZSA-N 2 0 352.439 -0.060 20 0 FBADRP [NH3+]C[C@H]1CCCC12CCN(C(=O)[C@]13C[NH2+]C[C@H]1CS(=O)(=O)C3)CC2 ZINC001342762528 851260655 /nfs/dbraw/zinc/26/06/55/851260655.db2.gz WGBIMDBCCDBVSL-KEYYUXOJSA-N 2 0 355.504 -0.012 20 0 FBADRP [NH3+]C[C@@H]1CCCC12CCN(C(=O)[C@]13C[NH2+]C[C@H]1CS(=O)(=O)C3)CC2 ZINC001342762556 851261065 /nfs/dbraw/zinc/26/10/65/851261065.db2.gz WGBIMDBCCDBVSL-ZQIUZPCESA-N 2 0 355.504 -0.012 20 0 FBADRP CO[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001342797586 851267466 /nfs/dbraw/zinc/26/74/66/851267466.db2.gz ZPIQCLSKFWGHMH-QLFBSQMISA-N 2 0 356.467 -0.999 20 0 FBADRP CO[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001342903428 851282790 /nfs/dbraw/zinc/28/27/90/851282790.db2.gz UJNKVXLVROTRRQ-ARFHVFGLSA-N 2 0 352.479 -0.378 20 0 FBADRP CO[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001342903429 851282591 /nfs/dbraw/zinc/28/25/91/851282591.db2.gz UJNKVXLVROTRRQ-BZUAXINKSA-N 2 0 352.479 -0.378 20 0 FBADRP CO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001342936462 851287147 /nfs/dbraw/zinc/28/71/47/851287147.db2.gz NLWONQNWNDOKMT-RBSFLKMASA-N 2 0 352.479 -0.093 20 0 FBADRP CC[C@H](C(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1OC)[NH+](C)C ZINC001342953508 851289449 /nfs/dbraw/zinc/28/94/49/851289449.db2.gz NRUYEMNZQDPJNW-RBSFLKMASA-N 2 0 352.479 -0.236 20 0 FBADRP CC[NH+](CC)CC(=O)N1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](OC)C1 ZINC001342997623 851295053 /nfs/dbraw/zinc/29/50/53/851295053.db2.gz NVPVQXCWBQCCTB-HUUCEWRRSA-N 2 0 352.479 -0.234 20 0 FBADRP CO[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001342999076 851295318 /nfs/dbraw/zinc/29/53/18/851295318.db2.gz YXIJTYHUKYVFSV-HUUCEWRRSA-N 2 0 352.479 -0.234 20 0 FBADRP CO[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001343014235 851298557 /nfs/dbraw/zinc/29/85/57/851298557.db2.gz YOWMUQNJFGKVCC-RKVPGOIHSA-N 2 0 352.479 -0.234 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[NH2+]C[C@@H]2COC)CC1=O ZINC001343056648 851302471 /nfs/dbraw/zinc/30/24/71/851302471.db2.gz UJFNQVOOCWGNPV-ARFHVFGLSA-N 2 0 352.479 -0.234 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH2+]C[C@@H]2COC)CC1=O ZINC001343056650 851303194 /nfs/dbraw/zinc/30/31/94/851303194.db2.gz UJFNQVOOCWGNPV-BZUAXINKSA-N 2 0 352.479 -0.234 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH2+]C[C@H]2COC)CC1=O ZINC001343056651 851302846 /nfs/dbraw/zinc/30/28/46/851302846.db2.gz UJFNQVOOCWGNPV-OAGGEKHMSA-N 2 0 352.479 -0.234 20 0 FBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[NH2+]C[C@H]2COC)CC1=O ZINC001343056653 851303137 /nfs/dbraw/zinc/30/31/37/851303137.db2.gz UJFNQVOOCWGNPV-XHSDSOJGSA-N 2 0 352.479 -0.234 20 0 FBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@@H]2[NH2+]CC23CCOCC3)CC1 ZINC001343097778 851308459 /nfs/dbraw/zinc/30/84/59/851308459.db2.gz JMTOAVHTUKBBJA-INIZCTEOSA-N 2 0 352.479 -0.186 20 0 FBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@H]2[NH2+]CC23CCOCC3)CC1 ZINC001343097779 851308163 /nfs/dbraw/zinc/30/81/63/851308163.db2.gz JMTOAVHTUKBBJA-MRXNPFEDSA-N 2 0 352.479 -0.186 20 0 FBADRP CC[C@@H](C(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1OC)[NH+](C)C ZINC001343114940 851310767 /nfs/dbraw/zinc/31/07/67/851310767.db2.gz NRUYEMNZQDPJNW-QLFBSQMISA-N 2 0 352.479 -0.236 20 0 FBADRP C[C@@H]1CC[NH2+][C@@H](C(=O)NCC[NH2+]CCNC(=O)[C@@H]2C[C@H](C)CC[NH2+]2)C1 ZINC001343170181 851320006 /nfs/dbraw/zinc/32/00/06/851320006.db2.gz AOKCTSNIBHPLJD-FPCVCCKLSA-N 3 0 353.511 -0.415 20 0 FBADRP C[C@@H]1CC[NH2+][C@H](C(=O)NCC[NH2+]CCNC(=O)[C@@H]2C[C@@H](C)CC[NH2+]2)C1 ZINC001343170183 851319991 /nfs/dbraw/zinc/31/99/91/851319991.db2.gz AOKCTSNIBHPLJD-FZKCQIBNSA-N 3 0 353.511 -0.415 20 0 FBADRP C[C@@H]1CC[NH2+][C@H](C(=O)NCC[NH2+]CCNC(=O)[C@H]2C[C@@H](C)CC[NH2+]2)C1 ZINC001343170184 851319727 /nfs/dbraw/zinc/31/97/27/851319727.db2.gz AOKCTSNIBHPLJD-SYMSYNOKSA-N 3 0 353.511 -0.415 20 0 FBADRP C[C@@H]1CC[NH2+][C@H](C(=O)NCC[NH2+]CCNC(=O)[C@@H]2C[C@H](C)CC[NH2+]2)C1 ZINC001343170185 851319949 /nfs/dbraw/zinc/31/99/49/851319949.db2.gz AOKCTSNIBHPLJD-WCVJEAGWSA-N 3 0 353.511 -0.415 20 0 FBADRP C[NH+]1CC[C@@H](CC(=O)NCC[NH2+]CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001343172968 851321029 /nfs/dbraw/zinc/32/10/29/851321029.db2.gz ZETCJWHVZGBCRU-HOTGVXAUSA-N 3 0 353.511 -0.508 20 0 FBADRP C[NH+]1CC[C@H](CC(=O)NCC[NH2+]CCNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001343172972 851320944 /nfs/dbraw/zinc/32/09/44/851320944.db2.gz ZETCJWHVZGBCRU-HZPDHXFCSA-N 3 0 353.511 -0.508 20 0 FBADRP C[NH+]1CC[C@@H](CC(=O)NCC[NH2+]CCNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001343172974 851320970 /nfs/dbraw/zinc/32/09/70/851320970.db2.gz ZETCJWHVZGBCRU-IYBDPMFKSA-N 3 0 353.511 -0.508 20 0 FBADRP COC[C@H]1C[NH2+]CCN1C(=O)c1cc(Br)cn(CC[NH3+])c1=O ZINC001343182918 851322193 /nfs/dbraw/zinc/32/21/93/851322193.db2.gz VKYYPGITJQMKIC-LLVKDONJSA-N 2 0 373.251 -0.370 20 0 FBADRP COC[C@@H]1C[NH2+]CCN1C(=O)c1cc(Br)cn(CC[NH3+])c1=O ZINC001343182920 851321795 /nfs/dbraw/zinc/32/17/95/851321795.db2.gz VKYYPGITJQMKIC-NSHDSACASA-N 2 0 373.251 -0.370 20 0 FBADRP C[NH+]1CCC(C(=O)NCC[NH2+]CCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001343280715 851339785 /nfs/dbraw/zinc/33/97/85/851339785.db2.gz KFWLHTJZHDOCRI-UHFFFAOYSA-N 3 0 353.511 -0.508 20 0 FBADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC[NH+]1C ZINC001343280736 851339447 /nfs/dbraw/zinc/33/94/47/851339447.db2.gz KNKKXYVFQWXSSU-KLHDSHLOSA-N 3 0 353.511 -0.511 20 0 FBADRP CC1(C)C[NH2+]C[C@H]1C(=O)NCC[NH2+]CCNC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC001343283454 851339996 /nfs/dbraw/zinc/33/99/96/851339996.db2.gz YKIKHTGIDIBTKH-KBPBESRZSA-N 3 0 353.511 -0.700 20 0 FBADRP CC1(C)C[NH2+]C[C@@H]1C(=O)NCC[NH2+]CCNC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC001343283456 851339619 /nfs/dbraw/zinc/33/96/19/851339619.db2.gz YKIKHTGIDIBTKH-OKILXGFUSA-N 3 0 353.511 -0.700 20 0 FBADRP CC1(C)C[NH2+]C[C@@H]1C(=O)NCC[NH2+]CCNC(=O)[C@H]1C[NH2+]CC1(C)C ZINC001343283458 851339710 /nfs/dbraw/zinc/33/97/10/851339710.db2.gz YKIKHTGIDIBTKH-ZIAGYGMSSA-N 3 0 353.511 -0.700 20 0 FBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001343371820 851359465 /nfs/dbraw/zinc/35/94/65/851359465.db2.gz SABFGZUAMNHUTQ-CVEARBPZSA-N 2 0 354.495 -0.252 20 0 FBADRP O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001343372453 851360179 /nfs/dbraw/zinc/36/01/79/851360179.db2.gz RGUWCPHGNSQXBD-BBRMVZONSA-N 2 0 350.463 -0.434 20 0 FBADRP O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001343372454 851359393 /nfs/dbraw/zinc/35/93/93/851359393.db2.gz RGUWCPHGNSQXBD-CJNGLKHVSA-N 2 0 350.463 -0.434 20 0 FBADRP O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001343372455 851360220 /nfs/dbraw/zinc/36/02/20/851360220.db2.gz RGUWCPHGNSQXBD-CZUORRHYSA-N 2 0 350.463 -0.434 20 0 FBADRP O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001343372456 851360169 /nfs/dbraw/zinc/36/01/69/851360169.db2.gz RGUWCPHGNSQXBD-XJKSGUPXSA-N 2 0 350.463 -0.434 20 0 FBADRP CC[C@H](C(=O)N1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1)[NH+](CC)CC ZINC001343388609 851362987 /nfs/dbraw/zinc/36/29/87/851362987.db2.gz MLNNGVKCIJWBRG-OAGGEKHMSA-N 2 0 354.495 -0.110 20 0 FBADRP CC[C@@H](C(=O)N1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1)[NH+](CC)CC ZINC001343388610 851363336 /nfs/dbraw/zinc/36/33/36/851363336.db2.gz MLNNGVKCIJWBRG-PMPSAXMXSA-N 2 0 354.495 -0.110 20 0 FBADRP C[C@@H]1C[NH+](CCCCNC(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)C[C@@H](C)O1 ZINC001343393861 851364078 /nfs/dbraw/zinc/36/40/78/851364078.db2.gz IUPGITVAJPCLJZ-KFWWJZLASA-N 2 0 352.479 -0.188 20 0 FBADRP C[C@@H]1C[N@@H+](CCCCNC(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)C[C@H](C)O1 ZINC001343393863 851364190 /nfs/dbraw/zinc/36/41/90/851364190.db2.gz IUPGITVAJPCLJZ-QLFBSQMISA-N 2 0 352.479 -0.188 20 0 FBADRP C[C@@H]1C[NH+](CCCCNC(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)C[C@@H](C)O1 ZINC001343393865 851364104 /nfs/dbraw/zinc/36/41/04/851364104.db2.gz IUPGITVAJPCLJZ-RBSFLKMASA-N 2 0 352.479 -0.188 20 0 FBADRP C[C@@H]1C[N@@H+](CCCCNC(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)C[C@H](C)O1 ZINC001343393867 851364285 /nfs/dbraw/zinc/36/42/85/851364285.db2.gz IUPGITVAJPCLJZ-ZNMIVQPWSA-N 2 0 352.479 -0.188 20 0 FBADRP CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1O ZINC001343399638 851366344 /nfs/dbraw/zinc/36/63/44/851366344.db2.gz ZZXIFKVDSXJCTG-CABCVRRESA-N 2 0 354.495 -0.252 20 0 FBADRP CN(C)CC[NH+]1CCC(CNC(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)CC1 ZINC001343408091 851368154 /nfs/dbraw/zinc/36/81/54/851368154.db2.gz SCRACUWFSWLMBF-HNNXBMFYSA-N 2 0 351.495 -0.804 20 0 FBADRP CN(C)CC[NH+]1CCC(CNC(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)CC1 ZINC001343408092 851368113 /nfs/dbraw/zinc/36/81/13/851368113.db2.gz SCRACUWFSWLMBF-OAHLLOKOSA-N 2 0 351.495 -0.804 20 0 FBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C[C@@H]1O ZINC001343451051 851377212 /nfs/dbraw/zinc/37/72/12/851377212.db2.gz AKDBCXNQYZAIRV-JONQDZQNSA-N 2 0 354.495 -0.255 20 0 FBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1O ZINC001343451084 851376973 /nfs/dbraw/zinc/37/69/73/851376973.db2.gz BRHCSSMJTBTDSN-CABCVRRESA-N 2 0 354.495 -0.111 20 0 FBADRP CC[NH+]1CCN(CCCCNC(=O)[C@]23C[NH2+]C[C@H]2CS(=O)(=O)C3)CC1 ZINC001343451712 851377580 /nfs/dbraw/zinc/37/75/80/851377580.db2.gz DUHCNQCXQHZLCN-RDJZCZTQSA-N 2 0 372.535 -0.846 20 0 FBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001343453856 851378840 /nfs/dbraw/zinc/37/88/40/851378840.db2.gz TXDOSGKSCYFJHQ-OAGGEKHMSA-N 2 0 352.479 -0.356 20 0 FBADRP CC[C@@H](C(=O)N1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1)[NH+](C)C ZINC001343453901 851378372 /nfs/dbraw/zinc/37/83/72/851378372.db2.gz UUQSEOHCCLZVCY-PMPSAXMXSA-N 2 0 354.495 -0.110 20 0 FBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)[C@@H](O)C1 ZINC001343454624 851378287 /nfs/dbraw/zinc/37/82/87/851378287.db2.gz ZKCMMHMVPQPRHF-OAGGEKHMSA-N 2 0 354.495 -0.110 20 0 FBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)[C@@H](O)C1 ZINC001343454626 851378970 /nfs/dbraw/zinc/37/89/70/851378970.db2.gz ZKCMMHMVPQPRHF-PMPSAXMXSA-N 2 0 354.495 -0.110 20 0 FBADRP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC001343454718 851378767 /nfs/dbraw/zinc/37/87/67/851378767.db2.gz WWSNOXYBSZXRNT-DOTOQJQBSA-N 2 0 353.511 -0.286 20 0 FBADRP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC001343454719 851378146 /nfs/dbraw/zinc/37/81/46/851378146.db2.gz WWSNOXYBSZXRNT-NVXWUHKLSA-N 2 0 353.511 -0.286 20 0 FBADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC001343454720 851378483 /nfs/dbraw/zinc/37/84/83/851378483.db2.gz WWSNOXYBSZXRNT-RDJZCZTQSA-N 2 0 353.511 -0.286 20 0 FBADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC001343454721 851378713 /nfs/dbraw/zinc/37/87/13/851378713.db2.gz WWSNOXYBSZXRNT-WBVHZDCISA-N 2 0 353.511 -0.286 20 0 FBADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001343462538 851380998 /nfs/dbraw/zinc/38/09/98/851380998.db2.gz LOMJUCFZQHMXMM-KGLIPLIRSA-N 2 0 354.495 -0.111 20 0 FBADRP CC(C)[C@@H](C(=O)N[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@@H]1O)[NH+](C)C ZINC001343466480 851382203 /nfs/dbraw/zinc/38/22/03/851382203.db2.gz NBIFDUDCRYIVIR-UGUYLWEFSA-N 2 0 356.511 -0.153 20 0 FBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001343475828 851382848 /nfs/dbraw/zinc/38/28/48/851382848.db2.gz GKHHNSKURZPFCR-BMFZPTHFSA-N 2 0 352.479 -0.357 20 0 FBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001343475831 851382791 /nfs/dbraw/zinc/38/27/91/851382791.db2.gz GKHHNSKURZPFCR-IMJJTQAJSA-N 2 0 352.479 -0.357 20 0 FBADRP [NH3+]CCN1CCC[C@H](C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1=O ZINC001343486761 851384182 /nfs/dbraw/zinc/38/41/82/851384182.db2.gz OCLRMKDRNLHUSH-NEPJUHHUSA-N 2 0 365.400 -0.864 20 0 FBADRP [NH3+]CCN1CCC[C@@H](C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1=O ZINC001343486762 851384453 /nfs/dbraw/zinc/38/44/53/851384453.db2.gz OCLRMKDRNLHUSH-NWDGAFQWSA-N 2 0 365.400 -0.864 20 0 FBADRP [NH3+]CCN1CCC[C@@H](C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1=O ZINC001343486763 851384491 /nfs/dbraw/zinc/38/44/91/851384491.db2.gz OCLRMKDRNLHUSH-RYUDHWBXSA-N 2 0 365.400 -0.864 20 0 FBADRP [NH3+]CCN1CCC[C@H](C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1=O ZINC001343486764 851384398 /nfs/dbraw/zinc/38/43/98/851384398.db2.gz OCLRMKDRNLHUSH-VXGBXAGGSA-N 2 0 365.400 -0.864 20 0 FBADRP CC[NH+](CC)CC(=O)N1C[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001343495059 851386608 /nfs/dbraw/zinc/38/66/08/851386608.db2.gz UHMKJWWNIPKYRA-OAGGEKHMSA-N 2 0 354.495 -0.110 20 0 FBADRP CC[NH+](CC)CC(=O)N1C[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001343495060 851386388 /nfs/dbraw/zinc/38/63/88/851386388.db2.gz UHMKJWWNIPKYRA-XHSDSOJGSA-N 2 0 354.495 -0.110 20 0 FBADRP C[NH+](C)CCC(=O)N1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1 ZINC001343495748 851386478 /nfs/dbraw/zinc/38/64/78/851386478.db2.gz ZXGYKBBQGDJYOD-CABCVRRESA-N 2 0 352.479 -0.498 20 0 FBADRP CC[C@H](C(=O)N[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1O)[NH+](C)C ZINC001343499905 851386264 /nfs/dbraw/zinc/38/62/64/851386264.db2.gz AHABLMAHMFXTKW-KFWWJZLASA-N 2 0 354.495 -0.254 20 0 FBADRP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2 ZINC001343511293 851390124 /nfs/dbraw/zinc/39/01/24/851390124.db2.gz WQSVLSCCCIIUIN-LRDDRELGSA-N 2 0 351.428 -0.259 20 0 FBADRP CC[NH+](CC)CCN(C(=O)[C@@H]1C[NH2+]CCN1C)[C@@H]1CCS(=O)(=O)C1 ZINC001343528180 851392556 /nfs/dbraw/zinc/39/25/56/851392556.db2.gz XVNOXZFSLBSCEM-CABCVRRESA-N 2 0 360.524 -0.753 20 0 FBADRP CC[NH+](CC)CCN(C(=O)[C@@H]1C[NH2+]CCN1C)[C@H]1CCS(=O)(=O)C1 ZINC001343528182 851392886 /nfs/dbraw/zinc/39/28/86/851392886.db2.gz XVNOXZFSLBSCEM-GJZGRUSLSA-N 2 0 360.524 -0.753 20 0 FBADRP CC[NH+](CC)CCN(C(=O)[C@H]1C[NH2+]CCN1C)[C@@H]1CCS(=O)(=O)C1 ZINC001343528185 851393131 /nfs/dbraw/zinc/39/31/31/851393131.db2.gz XVNOXZFSLBSCEM-HUUCEWRRSA-N 2 0 360.524 -0.753 20 0 FBADRP CC[NH+](CC)CCN(C(=O)[C@H]1C[NH2+]CCN1C)[C@H]1CCS(=O)(=O)C1 ZINC001343528187 851392633 /nfs/dbraw/zinc/39/26/33/851392633.db2.gz XVNOXZFSLBSCEM-LSDHHAIUSA-N 2 0 360.524 -0.753 20 0 FBADRP CC[NH+](CC)CC(=O)N1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001343570300 851400462 /nfs/dbraw/zinc/40/04/62/851400462.db2.gz MRHUQKCRFNHVCF-CABCVRRESA-N 2 0 352.479 -0.356 20 0 FBADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001343576718 851402179 /nfs/dbraw/zinc/40/21/79/851402179.db2.gz RBBXBZZNWDUOPO-OAGGEKHMSA-N 2 0 354.495 -0.252 20 0 FBADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001343576720 851402635 /nfs/dbraw/zinc/40/26/35/851402635.db2.gz RBBXBZZNWDUOPO-XHSDSOJGSA-N 2 0 354.495 -0.252 20 0 FBADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)C1(C)C ZINC001343593443 851404572 /nfs/dbraw/zinc/40/45/72/851404572.db2.gz YPAWRIMUHLRLND-JFTQMJAMSA-N 2 0 355.479 -0.139 20 0 FBADRP CCO[C@H]1C[C@@]([NH3+])(C(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)C1(C)C ZINC001343593444 851404914 /nfs/dbraw/zinc/40/49/14/851404914.db2.gz YPAWRIMUHLRLND-LBTBCDHLSA-N 2 0 355.479 -0.139 20 0 FBADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)C1(C)C ZINC001343593445 851404376 /nfs/dbraw/zinc/40/43/76/851404376.db2.gz YPAWRIMUHLRLND-MJSCVDMRSA-N 2 0 355.479 -0.139 20 0 FBADRP CCO[C@H]1C[C@]([NH3+])(C(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)C1(C)C ZINC001343593446 851404520 /nfs/dbraw/zinc/40/45/20/851404520.db2.gz YPAWRIMUHLRLND-ZZCKCESHSA-N 2 0 355.479 -0.139 20 0 FBADRP C[NH+](C)CCCCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@@H]1O ZINC001343600876 851404805 /nfs/dbraw/zinc/40/48/05/851404805.db2.gz HDUWKKFQCIYCSB-OAGGEKHMSA-N 2 0 354.495 -0.110 20 0 FBADRP C[NH+](C)CCCCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@@H]1O ZINC001343600877 851404263 /nfs/dbraw/zinc/40/42/63/851404263.db2.gz HDUWKKFQCIYCSB-PMPSAXMXSA-N 2 0 354.495 -0.110 20 0 FBADRP C[NH+](C)CCCCC(=O)N[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1O ZINC001343601255 851404977 /nfs/dbraw/zinc/40/49/77/851404977.db2.gz KFGXYARFMNUXSV-CABCVRRESA-N 2 0 354.495 -0.252 20 0 FBADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1O ZINC001343605064 851405671 /nfs/dbraw/zinc/40/56/71/851405671.db2.gz HBUUZBRZXSSZGZ-CVEARBPZSA-N 2 0 354.495 -0.252 20 0 FBADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1O ZINC001343606089 851407412 /nfs/dbraw/zinc/40/74/12/851407412.db2.gz UYWMEENONIEVQZ-CABCVRRESA-N 2 0 352.479 -0.498 20 0 FBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001343616264 851408415 /nfs/dbraw/zinc/40/84/15/851408415.db2.gz CKDSWUSVBOQBDU-CABCVRRESA-N 2 0 354.495 -0.110 20 0 FBADRP COC(=O)CCN1CCN(C(=O)C2=NO[C@@]3(C2)CCC[NH2+]C3)[C@H](C)C1 ZINC001343624820 851410284 /nfs/dbraw/zinc/41/02/84/851410284.db2.gz NXPNROBGQAUMIK-CXAGYDPISA-N 2 0 352.435 -0.019 20 0 FBADRP COC(=O)CCN1CCN(C(=O)C2=NO[C@]3(C2)CCC[NH2+]C3)[C@H](C)C1 ZINC001343624824 851410347 /nfs/dbraw/zinc/41/03/47/851410347.db2.gz NXPNROBGQAUMIK-DYVFJYSZSA-N 2 0 352.435 -0.019 20 0 FBADRP COC(=O)CCN1CCN(C(=O)C2=NO[C@]3(C2)CCC[NH2+]C3)[C@@H](C)C1 ZINC001343624825 851410596 /nfs/dbraw/zinc/41/05/96/851410596.db2.gz NXPNROBGQAUMIK-GUYCJALGSA-N 2 0 352.435 -0.019 20 0 FBADRP COC(=O)CCN1CCN(C(=O)C2=NO[C@@]3(C2)CCC[NH2+]C3)[C@@H](C)C1 ZINC001343624829 851411030 /nfs/dbraw/zinc/41/10/30/851411030.db2.gz NXPNROBGQAUMIK-SUMWQHHRSA-N 2 0 352.435 -0.019 20 0 FBADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2O)C1 ZINC001343651190 851415163 /nfs/dbraw/zinc/41/51/63/851415163.db2.gz YCSJJELNZUTLQP-OAGGEKHMSA-N 2 0 354.495 -0.252 20 0 FBADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2O)C1 ZINC001343651191 851415222 /nfs/dbraw/zinc/41/52/22/851415222.db2.gz YCSJJELNZUTLQP-XHSDSOJGSA-N 2 0 354.495 -0.252 20 0 FBADRP CC[NH+](CC)CC(=O)N1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@@H](O)C1 ZINC001343655947 851416587 /nfs/dbraw/zinc/41/65/87/851416587.db2.gz ZWUOYWUDEGCMEO-JONQDZQNSA-N 2 0 354.495 -0.254 20 0 FBADRP O=C(NC1CCN(c2cc[nH+]cc2)CC1)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2 ZINC001343656291 851416510 /nfs/dbraw/zinc/41/65/10/851416510.db2.gz NUUUVCOCLPDGDF-GUYCJALGSA-N 2 0 364.471 -0.199 20 0 FBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1 ZINC001343662782 851416331 /nfs/dbraw/zinc/41/63/31/851416331.db2.gz PYURRETYKQYGNH-CVEARBPZSA-N 2 0 354.495 -0.252 20 0 FBADRP CC1CC[NH+](CC(=O)N2C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C2)CC1 ZINC001343673969 851418327 /nfs/dbraw/zinc/41/83/27/851418327.db2.gz IXGISKNVQXTOHD-CVEARBPZSA-N 2 0 354.495 -0.252 20 0 FBADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C2)CC[N@@H+]1C ZINC001343674993 851418617 /nfs/dbraw/zinc/41/86/17/851418617.db2.gz SBNRXSFZSLSDRD-JJXSEGSLSA-N 2 0 354.495 -0.254 20 0 FBADRP C[NH+](C)CCCC(=O)N1C[C@H]2CCN(C(=O)COCC[NH+](C)C)C[C@H]21 ZINC001343962891 851456312 /nfs/dbraw/zinc/45/63/12/851456312.db2.gz OPRYVRATYLLPFP-HZPDHXFCSA-N 2 0 354.495 -0.034 20 0 FBADRP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCN2C(=O)COCC[NH+](C)C)CC[N@@H+]1C ZINC001344163312 851471280 /nfs/dbraw/zinc/47/12/80/851471280.db2.gz KLTSDZFEIJSJTF-BZUAXINKSA-N 2 0 354.495 -0.036 20 0 FBADRP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCN2C(=O)COCC[NH+](C)C)CC[N@@H+]1C ZINC001344163313 851471184 /nfs/dbraw/zinc/47/11/84/851471184.db2.gz KLTSDZFEIJSJTF-OWCLPIDISA-N 2 0 354.495 -0.036 20 0 FBADRP [NH3+]CCN1CCC[C@H](C(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)C1=O ZINC001344387201 851490410 /nfs/dbraw/zinc/49/04/10/851490410.db2.gz NSKGONRSGOQYLS-CVEARBPZSA-N 2 0 352.479 -0.199 20 0 FBADRP [NH3+]CCN1CCC[C@H](C(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)C1=O ZINC001344387202 851490081 /nfs/dbraw/zinc/49/00/81/851490081.db2.gz NSKGONRSGOQYLS-HOTGVXAUSA-N 2 0 352.479 -0.199 20 0 FBADRP [NH3+]CCN1CCC[C@@H](C(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)C1=O ZINC001344387203 851490547 /nfs/dbraw/zinc/49/05/47/851490547.db2.gz NSKGONRSGOQYLS-HZPDHXFCSA-N 2 0 352.479 -0.199 20 0 FBADRP [NH3+]CCN1CCC[C@@H](C(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)C1=O ZINC001344387204 851490140 /nfs/dbraw/zinc/49/01/40/851490140.db2.gz NSKGONRSGOQYLS-JKSUJKDBSA-N 2 0 352.479 -0.199 20 0 FBADRP O=C([C@@H]1CC(=O)N(C2C[NH2+]C2)C1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC001344388136 851490289 /nfs/dbraw/zinc/49/02/89/851490289.db2.gz VGVOCZCWRNQBMN-GDBMZVCRSA-N 2 0 350.463 -0.576 20 0 FBADRP O=C([C@H]1CC(=O)N(C2C[NH2+]C2)C1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC001344388139 851490481 /nfs/dbraw/zinc/49/04/81/851490481.db2.gz VGVOCZCWRNQBMN-GOEBONIOSA-N 2 0 350.463 -0.576 20 0 FBADRP O=C([C@H]1CC(=O)N(C2C[NH2+]C2)C1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC001344388142 851490226 /nfs/dbraw/zinc/49/02/26/851490226.db2.gz VGVOCZCWRNQBMN-HOCLYGCPSA-N 2 0 350.463 -0.576 20 0 FBADRP O=C([C@@H]1CC(=O)N(C2C[NH2+]C2)C1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC001344388145 851490074 /nfs/dbraw/zinc/49/00/74/851490074.db2.gz VGVOCZCWRNQBMN-ZBFHGGJFSA-N 2 0 350.463 -0.576 20 0 FBADRP CC1(C)[C@@H]2[NH2+]CCC[C@@H]2[C@@H]1NC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@H]12 ZINC001344531925 851504829 /nfs/dbraw/zinc/50/48/29/851504829.db2.gz XNFNBSHUZUKWHZ-CVZQHSHTSA-N 2 0 355.504 -0.098 20 0 FBADRP CC1(C)[C@@H]2[NH2+]CCC[C@@H]2[C@@H]1NC(=O)C[C@@H]1CS(=O)(=O)[C@H]2C[NH2+]C[C@@H]21 ZINC001344531927 851504965 /nfs/dbraw/zinc/50/49/65/851504965.db2.gz XNFNBSHUZUKWHZ-NXNLJZTQSA-N 2 0 355.504 -0.098 20 0 FBADRP CC1(C)[C@@H]2[NH2+]CCC[C@@H]2[C@@H]1NC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@@H]12 ZINC001344531928 851504881 /nfs/dbraw/zinc/50/48/81/851504881.db2.gz XNFNBSHUZUKWHZ-OBGDMFJYSA-N 2 0 355.504 -0.098 20 0 FBADRP CC1(C)[C@@H]2[NH2+]CCC[C@@H]2[C@@H]1NC(=O)C[C@@H]1CS(=O)(=O)[C@H]2C[NH2+]C[C@H]21 ZINC001344531929 851505116 /nfs/dbraw/zinc/50/51/16/851505116.db2.gz XNFNBSHUZUKWHZ-XHTZBMAASA-N 2 0 355.504 -0.098 20 0 FBADRP C[NH+](C)CCN1C[C@H](C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)CC1=O ZINC001344642700 851513555 /nfs/dbraw/zinc/51/35/55/851513555.db2.gz SHSZNBWPKBBUNR-CABCVRRESA-N 2 0 352.479 -0.329 20 0 FBADRP C[NH+](C)CCN1C[C@@H](C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)CC1=O ZINC001344642705 851513488 /nfs/dbraw/zinc/51/34/88/851513488.db2.gz SHSZNBWPKBBUNR-GJZGRUSLSA-N 2 0 352.479 -0.329 20 0 FBADRP C[NH+](C)CCN1C[C@H](C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)CC1=O ZINC001344642710 851513102 /nfs/dbraw/zinc/51/31/02/851513102.db2.gz SHSZNBWPKBBUNR-HUUCEWRRSA-N 2 0 352.479 -0.329 20 0 FBADRP C[NH+](C)CCN1C[C@@H](C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)CC1=O ZINC001344642715 851513465 /nfs/dbraw/zinc/51/34/65/851513465.db2.gz SHSZNBWPKBBUNR-LSDHHAIUSA-N 2 0 352.479 -0.329 20 0 FBADRP CC[NH+]1CCN(CCC(=O)N2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)CC1 ZINC001344651822 851512813 /nfs/dbraw/zinc/51/28/13/851512813.db2.gz KNHCDUJPHIFHGD-DAYGRLMNSA-N 2 0 352.479 -0.247 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@](O)(C(F)F)C1 ZINC001344754570 851519316 /nfs/dbraw/zinc/51/93/16/851519316.db2.gz AWFHRYVQQZFIFU-HNNXBMFYSA-N 2 0 350.410 -0.833 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@](O)(C(F)F)C1 ZINC001344754571 851519948 /nfs/dbraw/zinc/51/99/48/851519948.db2.gz AWFHRYVQQZFIFU-OAHLLOKOSA-N 2 0 350.410 -0.833 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)C1 ZINC001344771314 851522315 /nfs/dbraw/zinc/52/23/15/851522315.db2.gz ZHHIOTZNOSEYKU-CVEARBPZSA-N 2 0 354.495 -0.131 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)C1 ZINC001344771315 851521544 /nfs/dbraw/zinc/52/15/44/851521544.db2.gz ZHHIOTZNOSEYKU-HOTGVXAUSA-N 2 0 354.495 -0.131 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)C1 ZINC001344771316 851521960 /nfs/dbraw/zinc/52/19/60/851521960.db2.gz ZHHIOTZNOSEYKU-HZPDHXFCSA-N 2 0 354.495 -0.131 20 0 FBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)C1 ZINC001344771317 851521847 /nfs/dbraw/zinc/52/18/47/851521847.db2.gz ZHHIOTZNOSEYKU-JKSUJKDBSA-N 2 0 354.495 -0.131 20 0 FBADRP C[C@H](CNC(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1)C[NH+]1CCN(C)CC1 ZINC001344774770 851522085 /nfs/dbraw/zinc/52/20/85/851522085.db2.gz QRVWNPZLVDEAHG-CVEARBPZSA-N 2 0 353.511 -0.604 20 0 FBADRP C[C@@H](CNC(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1)C[NH+]1CCN(C)CC1 ZINC001344774778 851522130 /nfs/dbraw/zinc/52/21/30/851522130.db2.gz QRVWNPZLVDEAHG-HOTGVXAUSA-N 2 0 353.511 -0.604 20 0 FBADRP C[C@H](CNC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1)C[NH+]1CCN(C)CC1 ZINC001344774780 851522369 /nfs/dbraw/zinc/52/23/69/851522369.db2.gz QRVWNPZLVDEAHG-HZPDHXFCSA-N 2 0 353.511 -0.604 20 0 FBADRP C[C@@H](CNC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1)C[NH+]1CCN(C)CC1 ZINC001344774782 851521785 /nfs/dbraw/zinc/52/17/85/851521785.db2.gz QRVWNPZLVDEAHG-JKSUJKDBSA-N 2 0 353.511 -0.604 20 0 FBADRP C[C@@]1(C(=O)N2CCNCCN(C(=O)[C@@]3(C)CC[NH2+]C3)CC2)CC[NH2+]C1 ZINC001344860576 851532694 /nfs/dbraw/zinc/53/26/94/851532694.db2.gz FLUDZBKDLMRFIQ-HDICACEKSA-N 2 0 351.495 -0.754 20 0 FBADRP C[C@@]1(C(=O)N2CCNCCN(C(=O)[C@]3(C)CC[NH2+]C3)CC2)CC[NH2+]C1 ZINC001344860577 851533277 /nfs/dbraw/zinc/53/32/77/851533277.db2.gz FLUDZBKDLMRFIQ-QZTJIDSGSA-N 2 0 351.495 -0.754 20 0 FBADRP C[C@]1(C(=O)N2CCNCCN(C(=O)[C@@]3(C)CC[NH2+]C3)CC2)CC[NH2+]C1 ZINC001344860578 851533329 /nfs/dbraw/zinc/53/33/29/851533329.db2.gz FLUDZBKDLMRFIQ-ROUUACIJSA-N 2 0 351.495 -0.754 20 0 FBADRP C[NH2+]C1CC(C(=O)N2CCNCCN(C(=O)C3CC([NH2+]C)C3)CC2)C1 ZINC001344861685 851533154 /nfs/dbraw/zinc/53/31/54/851533154.db2.gz VXLGQASVOLQHGY-UHFFFAOYSA-N 2 0 351.495 -0.757 20 0 FBADRP CC[NH+]1CCN(CCC(=O)NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)CC1 ZINC001344929601 851539278 /nfs/dbraw/zinc/53/92/78/851539278.db2.gz BUTKLPZMHVPBPM-HNNXBMFYSA-N 2 0 352.479 -0.185 20 0 FBADRP CC[NH+]1CCN(CCC(=O)NC[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)CC1 ZINC001344929603 851539389 /nfs/dbraw/zinc/53/93/89/851539389.db2.gz BUTKLPZMHVPBPM-OAHLLOKOSA-N 2 0 352.479 -0.185 20 0 FBADRP COCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC001345115118 851558968 /nfs/dbraw/zinc/55/89/68/851558968.db2.gz APCZHPFHOCITSY-AWEZNQCLSA-N 2 0 352.479 -0.186 20 0 FBADRP COCC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC001345115119 851558995 /nfs/dbraw/zinc/55/89/95/851558995.db2.gz APCZHPFHOCITSY-CQSZACIVSA-N 2 0 352.479 -0.186 20 0 FBADRP C[NH+]1CCC(C[NH2+]C[C@H](O)C[C@@]2(O)CCOC2)(N2CCOCC2)CC1 ZINC001345196434 851564012 /nfs/dbraw/zinc/56/40/12/851564012.db2.gz UNQRETBMOLKJNJ-AEFFLSMTSA-N 2 0 357.495 -0.725 20 0 FBADRP C[NH+]1CCC(C[NH2+]C[C@@H](O)C[C@]2(O)CCOC2)(N2CCOCC2)CC1 ZINC001345196437 851564202 /nfs/dbraw/zinc/56/42/02/851564202.db2.gz UNQRETBMOLKJNJ-FUHWJXTLSA-N 2 0 357.495 -0.725 20 0 FBADRP C[NH+]1CCC(C[NH2+]C[C@H](O)C[C@]2(O)CCOC2)(N2CCOCC2)CC1 ZINC001345196439 851564159 /nfs/dbraw/zinc/56/41/59/851564159.db2.gz UNQRETBMOLKJNJ-SJLPKXTDSA-N 2 0 357.495 -0.725 20 0 FBADRP C[NH+]1CCC(C[NH2+]C[C@@H](O)C[C@@]2(O)CCOC2)(N2CCOCC2)CC1 ZINC001345196441 851563957 /nfs/dbraw/zinc/56/39/57/851563957.db2.gz UNQRETBMOLKJNJ-WMZOPIPTSA-N 2 0 357.495 -0.725 20 0 FBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC001345208856 851566408 /nfs/dbraw/zinc/56/64/08/851566408.db2.gz MTEUSRTWHSFEHG-INIZCTEOSA-N 2 0 370.519 -0.536 20 0 FBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC001345208870 851566501 /nfs/dbraw/zinc/56/65/01/851566501.db2.gz MTEUSRTWHSFEHG-MRXNPFEDSA-N 2 0 370.519 -0.536 20 0 FBADRP COCC(=O)Nc1cccc(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)c1 ZINC001345604780 851611518 /nfs/dbraw/zinc/61/15/18/851611518.db2.gz FWHMKIJTVZZRTD-KRWDZBQOSA-N 2 0 350.463 -0.031 20 0 FBADRP COCC(=O)Nc1cccc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)c1 ZINC001345604781 851611315 /nfs/dbraw/zinc/61/13/15/851611315.db2.gz FWHMKIJTVZZRTD-QGZVFWFLSA-N 2 0 350.463 -0.031 20 0 FBADRP COC(=O)C1CC[NH+](CCCNC(=O)c2cn(CCC[NH3+])nn2)CC1 ZINC001345767047 851625185 /nfs/dbraw/zinc/62/51/85/851625185.db2.gz CEMPAMKXFIAUTC-UHFFFAOYSA-N 2 0 352.439 -0.368 20 0 FBADRP CC1(C)CC[NH2+][C@H]1C(=O)NCC[NH2+]CCNC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC001345798372 851627324 /nfs/dbraw/zinc/62/73/24/851627324.db2.gz MJDSJJBKDDVOSJ-KBPBESRZSA-N 3 0 353.511 -0.415 20 0 FBADRP CC1(C)CC[NH2+][C@H]1C(=O)NCC[NH2+]CCNC(=O)[C@H]1[NH2+]CCC1(C)C ZINC001345798375 851627287 /nfs/dbraw/zinc/62/72/87/851627287.db2.gz MJDSJJBKDDVOSJ-OKILXGFUSA-N 3 0 353.511 -0.415 20 0 FBADRP CC1(C)CC[NH2+][C@@H]1C(=O)NCC[NH2+]CCNC(=O)[C@H]1[NH2+]CCC1(C)C ZINC001345798379 851627202 /nfs/dbraw/zinc/62/72/02/851627202.db2.gz MJDSJJBKDDVOSJ-ZIAGYGMSSA-N 3 0 353.511 -0.415 20 0 FBADRP C[C@@H](CNC(=O)NCCN1CCC([NH+](C)C)CC1)N1CC[NH+](C)CC1 ZINC001345824615 851629461 /nfs/dbraw/zinc/62/94/61/851629461.db2.gz UUONIHLFCFGQAB-INIZCTEOSA-N 2 0 354.543 -0.053 20 0 FBADRP C[C@H](CNC(=O)NCCN1CCC([NH+](C)C)CC1)N1CC[NH+](C)CC1 ZINC001345824618 851629103 /nfs/dbraw/zinc/62/91/03/851629103.db2.gz UUONIHLFCFGQAB-MRXNPFEDSA-N 2 0 354.543 -0.053 20 0 FBADRP C[C@@H](CNC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)N1CC[NH+](C)CC1 ZINC001345881150 851636796 /nfs/dbraw/zinc/63/67/96/851636796.db2.gz CXXBZMHNCCMPCZ-INIZCTEOSA-N 2 0 354.543 -0.053 20 0 FBADRP C[C@H](CNC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)N1CC[NH+](C)CC1 ZINC001345881151 851636481 /nfs/dbraw/zinc/63/64/81/851636481.db2.gz CXXBZMHNCCMPCZ-MRXNPFEDSA-N 2 0 354.543 -0.053 20 0 FBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N(CC[NH2+]C)C(C)C)CC1 ZINC001345957401 851643321 /nfs/dbraw/zinc/64/33/21/851643321.db2.gz BQTAJRGOGIHJMG-INIZCTEOSA-N 2 0 355.527 -0.167 20 0 FBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N(CC[NH2+]C)C(C)C)CC1 ZINC001345957416 851643478 /nfs/dbraw/zinc/64/34/78/851643478.db2.gz BQTAJRGOGIHJMG-MRXNPFEDSA-N 2 0 355.527 -0.167 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C[C@H]1CC[NH3+] ZINC001345983050 851646251 /nfs/dbraw/zinc/64/62/51/851646251.db2.gz QULMEJKXUSVRHD-FMKPAKJESA-N 2 0 352.479 -0.201 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C[C@H]1CC[NH3+] ZINC001345983051 851646015 /nfs/dbraw/zinc/64/60/15/851646015.db2.gz QULMEJKXUSVRHD-IIAWOOMASA-N 2 0 352.479 -0.201 20 0 FBADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC001345988313 851646852 /nfs/dbraw/zinc/64/68/52/851646852.db2.gz HTRQEAPYCYOGOP-CHWSQXEVSA-N 2 0 355.483 -0.713 20 0 FBADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC001345988314 851647193 /nfs/dbraw/zinc/64/71/93/851647193.db2.gz HTRQEAPYCYOGOP-OLZOCXBDSA-N 2 0 355.483 -0.713 20 0 FBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC001345988315 851647164 /nfs/dbraw/zinc/64/71/64/851647164.db2.gz HTRQEAPYCYOGOP-QWHCGFSZSA-N 2 0 355.483 -0.713 20 0 FBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC001345988316 851646844 /nfs/dbraw/zinc/64/68/44/851646844.db2.gz HTRQEAPYCYOGOP-STQMWFEESA-N 2 0 355.483 -0.713 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC(=O)N1CCCCC1 ZINC001346055783 851653247 /nfs/dbraw/zinc/65/32/47/851653247.db2.gz DHUNFAKYFIBQKL-UHFFFAOYSA-N 2 0 355.483 -0.933 20 0 FBADRP CN1CCC([NH+]2CCC(NC(=O)CNC(=O)[C@@H]3CCC[NH2+]3)CC2)CC1 ZINC001346088785 851656114 /nfs/dbraw/zinc/65/61/14/851656114.db2.gz DXWFOOGWDPCKMX-INIZCTEOSA-N 2 0 351.495 -0.471 20 0 FBADRP CN1CCC([NH+]2CCC(NC(=O)CNC(=O)[C@H]3CCC[NH2+]3)CC2)CC1 ZINC001346088786 851655539 /nfs/dbraw/zinc/65/55/39/851655539.db2.gz DXWFOOGWDPCKMX-MRXNPFEDSA-N 2 0 351.495 -0.471 20 0 FBADRP COc1ccccc1[C@H]([NH3+])CNC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC001346089878 851655604 /nfs/dbraw/zinc/65/56/04/851655604.db2.gz YXNJMOVAFBLSEF-CYBMUJFWSA-N 2 0 355.460 -0.022 20 0 FBADRP COc1ccccc1[C@@H]([NH3+])CNC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC001346089880 851655855 /nfs/dbraw/zinc/65/58/55/851655855.db2.gz YXNJMOVAFBLSEF-ZDUSSCGKSA-N 2 0 355.460 -0.022 20 0 FBADRP CN1CCN(C(=O)CCNC(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)CC1 ZINC001346174942 851666514 /nfs/dbraw/zinc/66/65/14/851666514.db2.gz RYLNYYJFUDHGGL-GHMZBOCLSA-N 2 0 351.373 -0.319 20 0 FBADRP O=C(NC[C@@]1(CO)COC[C@@H]2CCC[NH+]21)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001346217190 851671450 /nfs/dbraw/zinc/67/14/50/851671450.db2.gz AFNSADYARWZQDB-SOLBZPMBSA-N 2 0 352.479 -0.004 20 0 FBADRP O=C(NC[C@@]1(CO)COC[C@@H]2CCC[NH+]21)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC001346217201 851671491 /nfs/dbraw/zinc/67/14/91/851671491.db2.gz AFNSADYARWZQDB-XYJFISCASA-N 2 0 352.479 -0.004 20 0 FBADRP COCC[N@H+](C)CCCNC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[NH+]21 ZINC001346245392 851673831 /nfs/dbraw/zinc/67/38/31/851673831.db2.gz DFHHEHDQWTYYQW-DOTOQJQBSA-N 2 0 358.483 -0.520 20 0 FBADRP COCC[NH2+]C1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC001346283680 851679349 /nfs/dbraw/zinc/67/93/49/851679349.db2.gz WAPZRFDKGNQZTF-AWEZNQCLSA-N 2 0 352.479 -0.186 20 0 FBADRP COCC[NH2+]C1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC001346283683 851679048 /nfs/dbraw/zinc/67/90/48/851679048.db2.gz WAPZRFDKGNQZTF-CQSZACIVSA-N 2 0 352.479 -0.186 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC001346295934 851681117 /nfs/dbraw/zinc/68/11/17/851681117.db2.gz LJQJELMVJSCLIT-YJBOKZPZSA-N 3 0 353.511 -0.474 20 0 FBADRP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC001346327589 851684733 /nfs/dbraw/zinc/68/47/33/851684733.db2.gz ZRDIFKKAOAFYEX-BQFCYCMXSA-N 2 0 351.495 -0.166 20 0 FBADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC001346327592 851684710 /nfs/dbraw/zinc/68/47/10/851684710.db2.gz ZRDIFKKAOAFYEX-JZXOWHBKSA-N 2 0 351.495 -0.166 20 0 FBADRP C[C@H](NC(=O)NCCN1CCC([NH+](C)C)CC1)[C@H]1C[N@H+](C)CCN1C ZINC001346374301 851690274 /nfs/dbraw/zinc/69/02/74/851690274.db2.gz OJISLWDBWWSDKB-DOTOQJQBSA-N 2 0 354.543 -0.054 20 0 FBADRP C[C@@H](NC(=O)NCCN1CCC([NH+](C)C)CC1)[C@H]1C[N@H+](C)CCN1C ZINC001346374302 851690468 /nfs/dbraw/zinc/69/04/68/851690468.db2.gz OJISLWDBWWSDKB-NVXWUHKLSA-N 2 0 354.543 -0.054 20 0 FBADRP C[C@H](NC(=O)NCCN1CCC([NH+](C)C)CC1)[C@@H]1C[N@H+](C)CCN1C ZINC001346374303 851690340 /nfs/dbraw/zinc/69/03/40/851690340.db2.gz OJISLWDBWWSDKB-RDJZCZTQSA-N 2 0 354.543 -0.054 20 0 FBADRP C[C@@H](NC(=O)NCCN1CCC([NH+](C)C)CC1)[C@@H]1C[N@H+](C)CCN1C ZINC001346374304 851690485 /nfs/dbraw/zinc/69/04/85/851690485.db2.gz OJISLWDBWWSDKB-WBVHZDCISA-N 2 0 354.543 -0.054 20 0 FBADRP [NH3+]C[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CS(=O)(=O)C3)C[C@H]1c1ccccc1 ZINC001346384961 851691220 /nfs/dbraw/zinc/69/12/20/851691220.db2.gz KEWXFAFCCJDDIH-CVYDXHPNSA-N 2 0 363.483 -0.179 20 0 FBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCCC[NH+]1CCC[C@@H]1C(=O)N(C)C ZINC001346388168 851691276 /nfs/dbraw/zinc/69/12/76/851691276.db2.gz ASBGQJNIZVDPJT-BZUAXINKSA-N 2 0 351.495 -0.566 20 0 FBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCCC[NH+]1CCC[C@@H]1C(=O)N(C)C ZINC001346388169 851691400 /nfs/dbraw/zinc/69/14/00/851691400.db2.gz ASBGQJNIZVDPJT-OAGGEKHMSA-N 2 0 351.495 -0.566 20 0 FBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCCC[NH+]1CCC[C@H]1C(=O)N(C)C ZINC001346388171 851691329 /nfs/dbraw/zinc/69/13/29/851691329.db2.gz ASBGQJNIZVDPJT-OWCLPIDISA-N 2 0 351.495 -0.566 20 0 FBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCCC[NH+]1CCC[C@H]1C(=O)N(C)C ZINC001346388173 851691109 /nfs/dbraw/zinc/69/11/09/851691109.db2.gz ASBGQJNIZVDPJT-PMPSAXMXSA-N 2 0 351.495 -0.566 20 0 FBADRP O=C(NCC[N@@H+]1CCCOCC1)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001346441364 851696331 /nfs/dbraw/zinc/69/63/31/851696331.db2.gz PJNONLAZTZACSN-AWEZNQCLSA-N 2 0 354.451 -0.307 20 0 FBADRP O=C(NCC[N@@H+]1CCCOCC1)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001346441367 851696639 /nfs/dbraw/zinc/69/66/39/851696639.db2.gz PJNONLAZTZACSN-CQSZACIVSA-N 2 0 354.451 -0.307 20 0 FBADRP CN1CC[NH+](C2CCN(C(=O)NCCN3CCC([NH3+])CC3)CC2)CC1 ZINC001346569314 851708975 /nfs/dbraw/zinc/70/89/75/851708975.db2.gz GUJCFANAWNKPRX-UHFFFAOYSA-N 2 0 352.527 -0.169 20 0 FBADRP O=C(NC[C@@H]1CCCCC[NH2+]1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC001346685304 851715860 /nfs/dbraw/zinc/71/58/60/851715860.db2.gz INAIZORNEQPJCT-HNNXBMFYSA-N 2 0 352.483 -0.129 20 0 FBADRP O=C(NC[C@H]1CCCCC[NH2+]1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC001346685305 851715547 /nfs/dbraw/zinc/71/55/47/851715547.db2.gz INAIZORNEQPJCT-OAHLLOKOSA-N 2 0 352.483 -0.129 20 0 FBADRP C[C@@H](NC(=O)N1CCN(CC[NH+](C)C)C(=O)C1)[C@@H]1C[N@H+](C)CCN1C ZINC001346765691 851721897 /nfs/dbraw/zinc/72/18/97/851721897.db2.gz BZKWNIZMZNXINZ-CABCVRRESA-N 2 0 354.499 -0.964 20 0 FBADRP C[C@H](NC(=O)N1CCN(CC[NH+](C)C)C(=O)C1)[C@@H]1C[N@H+](C)CCN1C ZINC001346765715 851721784 /nfs/dbraw/zinc/72/17/84/851721784.db2.gz BZKWNIZMZNXINZ-GJZGRUSLSA-N 2 0 354.499 -0.964 20 0 FBADRP C[C@@H](NC(=O)N1CCN(CC[NH+](C)C)C(=O)C1)[C@H]1C[N@H+](C)CCN1C ZINC001346765717 851721668 /nfs/dbraw/zinc/72/16/68/851721668.db2.gz BZKWNIZMZNXINZ-HUUCEWRRSA-N 2 0 354.499 -0.964 20 0 FBADRP C[C@H](NC(=O)N1CCN(CC[NH+](C)C)C(=O)C1)[C@H]1C[N@H+](C)CCN1C ZINC001346765719 851721841 /nfs/dbraw/zinc/72/18/41/851721841.db2.gz BZKWNIZMZNXINZ-LSDHHAIUSA-N 2 0 354.499 -0.964 20 0 FBADRP C[C@H](NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)[C@@H]1C[N@H+](C)CCN1C ZINC001346776840 851723352 /nfs/dbraw/zinc/72/33/52/851723352.db2.gz AQIBNXHWFLRKHP-BBWFWOEESA-N 2 0 353.511 -0.016 20 0 FBADRP C[C@H](NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)[C@H]1C[N@H+](C)CCN1C ZINC001346776842 851723178 /nfs/dbraw/zinc/72/31/78/851723178.db2.gz AQIBNXHWFLRKHP-GVDBMIGSSA-N 2 0 353.511 -0.016 20 0 FBADRP C[C@H](NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)[C@@H]1C[N@H+](C)CCN1C ZINC001346776845 851723364 /nfs/dbraw/zinc/72/33/64/851723364.db2.gz AQIBNXHWFLRKHP-ULQDDVLXSA-N 2 0 353.511 -0.016 20 0 FBADRP C[C@H](NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)[C@H]1C[N@H+](C)CCN1C ZINC001346776847 851722965 /nfs/dbraw/zinc/72/29/65/851722965.db2.gz AQIBNXHWFLRKHP-YESZJQIVSA-N 2 0 353.511 -0.016 20 0 FBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C[NH+]1CCC(CO)CC1 ZINC001346788346 851726051 /nfs/dbraw/zinc/72/60/51/851726051.db2.gz SDABSLXGGOYMJV-INIZCTEOSA-N 2 0 354.495 -0.250 20 0 FBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C[NH+]1CCC(CO)CC1 ZINC001346788348 851725638 /nfs/dbraw/zinc/72/56/38/851725638.db2.gz SDABSLXGGOYMJV-MRXNPFEDSA-N 2 0 354.495 -0.250 20 0 FBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C[NH+]2CCC(CO)CC2)CC1 ZINC001346810654 851726880 /nfs/dbraw/zinc/72/68/80/851726880.db2.gz VSAZRMSJNWDNHJ-UHFFFAOYSA-N 2 0 354.495 -0.250 20 0 FBADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N(C)CC1C[NH+](C)C1 ZINC001346904493 851734177 /nfs/dbraw/zinc/73/41/77/851734177.db2.gz LOJRUUNNMSKMOE-UHFFFAOYSA-N 2 0 353.511 -0.509 20 0 FBADRP O=C(C[NH+]1CCC(CO)CC1)N1CC[C@H](OCCN2CCOCC2)C1 ZINC001346906893 851734130 /nfs/dbraw/zinc/73/41/30/851734130.db2.gz DOLPWNYCMCVSKY-KRWDZBQOSA-N 2 0 355.479 -0.360 20 0 FBADRP O=C(C[NH+]1CCC(CO)CC1)N1CC[C@@H](OCCN2CCOCC2)C1 ZINC001346906894 851734255 /nfs/dbraw/zinc/73/42/55/851734255.db2.gz DOLPWNYCMCVSKY-QGZVFWFLSA-N 2 0 355.479 -0.360 20 0 FBADRP O=C(C[NH+]1CCC(CO)CC1)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC001346959209 851739323 /nfs/dbraw/zinc/73/93/23/851739323.db2.gz JKSHZHDWTMBRLP-UHFFFAOYSA-N 2 0 355.479 -0.624 20 0 FBADRP C[C@@H](CNC(=O)N1CCN(CC[NH+](C)C)C(=O)C1)N1CC[NH+](C)CC1 ZINC001346998030 851742901 /nfs/dbraw/zinc/74/29/01/851742901.db2.gz TYKITMZQAVDEGJ-HNNXBMFYSA-N 2 0 354.499 -0.962 20 0 FBADRP C[C@H](CNC(=O)N1CCN(CC[NH+](C)C)C(=O)C1)N1CC[NH+](C)CC1 ZINC001346998031 851742891 /nfs/dbraw/zinc/74/28/91/851742891.db2.gz TYKITMZQAVDEGJ-OAHLLOKOSA-N 2 0 354.499 -0.962 20 0 FBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC001347009653 851744415 /nfs/dbraw/zinc/74/44/15/851744415.db2.gz OTYAPWVYQFCXAV-CVEARBPZSA-N 2 0 351.495 -0.517 20 0 FBADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC001347009654 851744662 /nfs/dbraw/zinc/74/46/62/851744662.db2.gz OTYAPWVYQFCXAV-HOTGVXAUSA-N 2 0 351.495 -0.517 20 0 FBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC001347009655 851744521 /nfs/dbraw/zinc/74/45/21/851744521.db2.gz OTYAPWVYQFCXAV-HZPDHXFCSA-N 2 0 351.495 -0.517 20 0 FBADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC001347009656 851744329 /nfs/dbraw/zinc/74/43/29/851744329.db2.gz OTYAPWVYQFCXAV-JKSUJKDBSA-N 2 0 351.495 -0.517 20 0 FBADRP C[NH+](C)CCOCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001347035814 851747742 /nfs/dbraw/zinc/74/77/42/851747742.db2.gz XXUJTKXXEYLFTN-FZKCQIBNSA-N 2 0 352.479 -0.236 20 0 FBADRP C[NH+](C)CCOCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001347035817 851747897 /nfs/dbraw/zinc/74/78/97/851747897.db2.gz XXUJTKXXEYLFTN-WCVJEAGWSA-N 2 0 352.479 -0.236 20 0 FBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CCOC3(C[NH2+]C3)C2)CC1 ZINC001347062186 851751690 /nfs/dbraw/zinc/75/16/90/851751690.db2.gz YEIIGVSDWSCXOY-UHFFFAOYSA-N 2 0 353.467 -0.639 20 0 FBADRP C[N@H+](CCCCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)C1CC1 ZINC001347063578 851751914 /nfs/dbraw/zinc/75/19/14/851751914.db2.gz RLILNVNABDMOGL-UHFFFAOYSA-N 2 0 350.423 -0.752 20 0 FBADRP CC(C)[NH+]1CCC(NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC001347063586 851751775 /nfs/dbraw/zinc/75/17/75/851751775.db2.gz RMCAXHBFSRXVEO-UHFFFAOYSA-N 2 0 350.423 -0.754 20 0 FBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC001347075124 851753737 /nfs/dbraw/zinc/75/37/37/851753737.db2.gz KXTLJUULKUFPKH-AWEZNQCLSA-N 2 0 354.495 -0.035 20 0 FBADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC001347075125 851753506 /nfs/dbraw/zinc/75/35/06/851753506.db2.gz KXTLJUULKUFPKH-CQSZACIVSA-N 2 0 354.495 -0.035 20 0 FBADRP [NH3+][C@@H](CNC(=O)C(=O)NCC1CC[NH+](C2CCOCC2)CC1)C1CC1 ZINC001347075606 851753676 /nfs/dbraw/zinc/75/36/76/851753676.db2.gz UEQOPKGQBOVRKB-INIZCTEOSA-N 2 0 352.479 -0.153 20 0 FBADRP [NH3+][C@H](CNC(=O)C(=O)NCC1CC[NH+](C2CCOCC2)CC1)C1CC1 ZINC001347075610 851753625 /nfs/dbraw/zinc/75/36/25/851753625.db2.gz UEQOPKGQBOVRKB-MRXNPFEDSA-N 2 0 352.479 -0.153 20 0 FBADRP COC(=O)[C@@H]1CN(C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)CC[N@H+](C)C1 ZINC001347102425 851757387 /nfs/dbraw/zinc/75/73/87/851757387.db2.gz ORLGZEGMMYEOQX-CABCVRRESA-N 2 0 355.483 -0.632 20 0 FBADRP COC(=O)[C@@H]1CN(C(=O)NC[C@H](C)N2CC[NH+](C)CC2)CC[N@H+](C)C1 ZINC001347102426 851757321 /nfs/dbraw/zinc/75/73/21/851757321.db2.gz ORLGZEGMMYEOQX-GJZGRUSLSA-N 2 0 355.483 -0.632 20 0 FBADRP COC(=O)[C@H]1CN(C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)CC[N@H+](C)C1 ZINC001347102427 851757244 /nfs/dbraw/zinc/75/72/44/851757244.db2.gz ORLGZEGMMYEOQX-HUUCEWRRSA-N 2 0 355.483 -0.632 20 0 FBADRP COC(=O)[C@H]1CN(C(=O)NC[C@H](C)N2CC[NH+](C)CC2)CC[N@H+](C)C1 ZINC001347102428 851757015 /nfs/dbraw/zinc/75/70/15/851757015.db2.gz ORLGZEGMMYEOQX-LSDHHAIUSA-N 2 0 355.483 -0.632 20 0 FBADRP CC[NH+](CC)CCN(C(=O)c1cn(CC[NH3+])nn1)[C@@H]1CCS(=O)(=O)C1 ZINC001347157617 851763489 /nfs/dbraw/zinc/76/34/89/851763489.db2.gz PBGINNIVWSFFDD-CYBMUJFWSA-N 2 0 372.495 -0.792 20 0 FBADRP CC[NH+](CC)CCN(C(=O)c1cn(CC[NH3+])nn1)[C@H]1CCS(=O)(=O)C1 ZINC001347157628 851763812 /nfs/dbraw/zinc/76/38/12/851763812.db2.gz PBGINNIVWSFFDD-ZDUSSCGKSA-N 2 0 372.495 -0.792 20 0 FBADRP C[C@H](NC(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C)[C@@H]1C[N@H+](C)CCN1C ZINC001347187800 851768164 /nfs/dbraw/zinc/76/81/64/851768164.db2.gz RTFNQCRZWXLASS-KKUMJFAQSA-N 2 0 354.499 -0.618 20 0 FBADRP C[C@H](NC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C)[C@H]1C[N@H+](C)CCN1C ZINC001347187801 851767900 /nfs/dbraw/zinc/76/79/00/851767900.db2.gz RTFNQCRZWXLASS-RRFJBIMHSA-N 2 0 354.499 -0.618 20 0 FBADRP C[C@H](NC(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C)[C@H]1C[N@H+](C)CCN1C ZINC001347187802 851767810 /nfs/dbraw/zinc/76/78/10/851767810.db2.gz RTFNQCRZWXLASS-SOUVJXGZSA-N 2 0 354.499 -0.618 20 0 FBADRP C[C@H](NC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C)[C@@H]1C[N@H+](C)CCN1C ZINC001347187803 851767858 /nfs/dbraw/zinc/76/78/58/851767858.db2.gz RTFNQCRZWXLASS-ZNMIVQPWSA-N 2 0 354.499 -0.618 20 0 FBADRP COCC[N@@H+]1CC[C@@H](NC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[NH+]32)C1 ZINC001347374089 851786962 /nfs/dbraw/zinc/78/69/62/851786962.db2.gz JDTYFRXJXKRBFL-HLLBOEOZSA-N 2 0 356.467 -0.768 20 0 FBADRP COCC[N@@H+]1CC[C@H](NC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[NH+]32)C1 ZINC001347374093 851786622 /nfs/dbraw/zinc/78/66/22/851786622.db2.gz JDTYFRXJXKRBFL-YQQAZPJKSA-N 2 0 356.467 -0.768 20 0 FBADRP CC[NH+]1CCN(C2CN(C(=O)[C@H]3CC(=O)N(CC[NH+](C)C)C3)C2)CC1 ZINC001347432149 851790613 /nfs/dbraw/zinc/79/06/13/851790613.db2.gz HACLIKDPFPAGJU-HNNXBMFYSA-N 2 0 351.495 -0.755 20 0 FBADRP CC[NH+]1CCN(C2CN(C(=O)[C@@H]3CC(=O)N(CC[NH+](C)C)C3)C2)CC1 ZINC001347432151 851791601 /nfs/dbraw/zinc/79/16/01/851791601.db2.gz HACLIKDPFPAGJU-OAHLLOKOSA-N 2 0 351.495 -0.755 20 0 FBADRP C[C@H](CNC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO)N1CC[NH+](C)CC1 ZINC001347609943 851808534 /nfs/dbraw/zinc/80/85/34/851808534.db2.gz YZPZGYXZTATUND-BRWVUGGUSA-N 2 0 353.511 -0.137 20 0 FBADRP C[C@H](CNC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO)N1CC[NH+](C)CC1 ZINC001347609944 851808417 /nfs/dbraw/zinc/80/84/17/851808417.db2.gz YZPZGYXZTATUND-IKGGRYGDSA-N 2 0 353.511 -0.137 20 0 FBADRP C[C@H](CNC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO)N1CC[NH+](C)CC1 ZINC001347609946 851808233 /nfs/dbraw/zinc/80/82/33/851808233.db2.gz YZPZGYXZTATUND-IXDOHACOSA-N 2 0 353.511 -0.137 20 0 FBADRP C[C@H](CNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO)N1CC[NH+](C)CC1 ZINC001347609948 851808670 /nfs/dbraw/zinc/80/86/70/851808670.db2.gz YZPZGYXZTATUND-ZACQAIPSSA-N 2 0 353.511 -0.137 20 0 FBADRP O=C(NCC[N@@H+]1CCCOCC1)NC[C@@]1(CO)COC[C@@H]2CCC[NH+]21 ZINC001347618018 851810312 /nfs/dbraw/zinc/81/03/12/851810312.db2.gz RDUCRYWCCBELJW-DOTOQJQBSA-N 2 0 356.467 -0.766 20 0 FBADRP C[C@@H](CNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)N1CC[NH+](C)CC1 ZINC001347619383 851810182 /nfs/dbraw/zinc/81/01/82/851810182.db2.gz FWFIADHGCOSBKO-HNNXBMFYSA-N 2 0 356.515 -0.716 20 0 FBADRP C[C@H](CNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)N1CC[NH+](C)CC1 ZINC001347619397 851810095 /nfs/dbraw/zinc/81/00/95/851810095.db2.gz FWFIADHGCOSBKO-OAHLLOKOSA-N 2 0 356.515 -0.716 20 0 FBADRP CN(CCC[NH+](C)C)CCNC(=O)c1cnn2c1S(=O)(=O)N(C)CC2 ZINC001347819507 851827014 /nfs/dbraw/zinc/82/70/14/851827014.db2.gz AICFPHSGAAWJHU-UHFFFAOYSA-N 2 0 372.495 -0.870 20 0 FBADRP C[C@@H](NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)[C@@H]1C[NH+](C)CCN1C ZINC001348079846 851841359 /nfs/dbraw/zinc/84/13/59/851841359.db2.gz JFVHAUUACZFQEF-CVEARBPZSA-N 2 0 354.543 -0.054 20 0 FBADRP C[C@H](NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)[C@@H]1C[NH+](C)CCN1C ZINC001348079848 851841785 /nfs/dbraw/zinc/84/17/85/851841785.db2.gz JFVHAUUACZFQEF-HOTGVXAUSA-N 2 0 354.543 -0.054 20 0 FBADRP C[C@@H](NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)[C@H]1C[NH+](C)CCN1C ZINC001348079921 851841278 /nfs/dbraw/zinc/84/12/78/851841278.db2.gz JFVHAUUACZFQEF-HZPDHXFCSA-N 2 0 354.543 -0.054 20 0 FBADRP C[C@H](NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)[C@H]1C[NH+](C)CCN1C ZINC001348079923 851841608 /nfs/dbraw/zinc/84/16/08/851841608.db2.gz JFVHAUUACZFQEF-JKSUJKDBSA-N 2 0 354.543 -0.054 20 0 FBADRP CC(C)C[C@H](NC(=O)[C@H]1C[N@@H+]2CCN1C[C@@H]2C)C(=O)NCC[NH+](C)C ZINC001348173152 851847182 /nfs/dbraw/zinc/84/71/82/851847182.db2.gz JXCUGTUGJFSPJO-HRCADAONSA-N 2 0 353.511 -0.417 20 0 FBADRP CC(C)C[C@H](NC(=O)[C@@H]1C[N@@H+]2CCN1C[C@@H]2C)C(=O)NCC[NH+](C)C ZINC001348173163 851846959 /nfs/dbraw/zinc/84/69/59/851846959.db2.gz JXCUGTUGJFSPJO-JYJNAYRXSA-N 2 0 353.511 -0.417 20 0 FBADRP CC(C)C[C@H](NC(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C)C(=O)NCC[NH+](C)C ZINC001348173165 851847014 /nfs/dbraw/zinc/84/70/14/851847014.db2.gz JXCUGTUGJFSPJO-OWCLPIDISA-N 2 0 353.511 -0.417 20 0 FBADRP CC(C)C[C@H](NC(=O)[C@@H]1C[N@@H+]2CCN1C[C@H]2C)C(=O)NCC[NH+](C)C ZINC001348173167 851847431 /nfs/dbraw/zinc/84/74/31/851847431.db2.gz JXCUGTUGJFSPJO-PMPSAXMXSA-N 2 0 353.511 -0.417 20 0 FBADRP CC[NH+]1CCN(CCC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)CC1 ZINC001348223727 851851984 /nfs/dbraw/zinc/85/19/84/851851984.db2.gz HDMVZJUAHFJDCT-FUHWJXTLSA-N 2 0 354.495 -0.644 20 0 FBADRP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)NC[C@@]1(CO)COC[C@@H]2CCC[NH+]21 ZINC001348463000 851869828 /nfs/dbraw/zinc/86/98/28/851869828.db2.gz OUJCRNHFEIEFFB-QILLFSRXSA-N 2 0 352.479 -0.004 20 0 FBADRP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)NC[C@@]1(CO)COC[C@@H]2CCC[NH+]21 ZINC001348463001 851869287 /nfs/dbraw/zinc/86/92/87/851869287.db2.gz OUJCRNHFEIEFFB-UWWQBHOKSA-N 2 0 352.479 -0.004 20 0 FBADRP C[NH+]1CCN(CCCS(=O)(=O)NCCC[NH+]2CCC(O)CC2)CC1 ZINC001348564490 851872409 /nfs/dbraw/zinc/87/24/09/851872409.db2.gz ZYZCMNHPARCBFK-UHFFFAOYSA-N 2 0 362.540 -0.610 20 0 FBADRP C[C@H](CNC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)N1CC[NH+](C)CC1 ZINC001348571139 851872592 /nfs/dbraw/zinc/87/25/92/851872592.db2.gz WAYUWQFKMSPWNS-DLBZAZTESA-N 2 0 354.543 -0.195 20 0 FBADRP C[C@H](CNC(=O)NC[C@@H](C)N1CC[NH+](C)CC1)C[NH+]1CCN(C)CC1 ZINC001348571141 851872620 /nfs/dbraw/zinc/87/26/20/851872620.db2.gz WAYUWQFKMSPWNS-IAGOWNOFSA-N 2 0 354.543 -0.195 20 0 FBADRP C[C@@H](CNC(=O)NC[C@H](C)N1CC[NH+](C)CC1)C[NH+]1CCN(C)CC1 ZINC001348571142 851872576 /nfs/dbraw/zinc/87/25/76/851872576.db2.gz WAYUWQFKMSPWNS-IRXDYDNUSA-N 2 0 354.543 -0.195 20 0 FBADRP C[C@H](CNC(=O)NC[C@H](C)N1CC[NH+](C)CC1)C[NH+]1CCN(C)CC1 ZINC001348571143 851872590 /nfs/dbraw/zinc/87/25/90/851872590.db2.gz WAYUWQFKMSPWNS-SJORKVTESA-N 2 0 354.543 -0.195 20 0 FBADRP CC1(C)CN(C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC[NH2+]1 ZINC001348595123 851874341 /nfs/dbraw/zinc/87/43/41/851874341.db2.gz HNNFFRYDJTXESB-UHFFFAOYSA-N 2 0 352.479 -0.042 20 0 FBADRP C[NH+]1CCC(C(=O)NCCN(CCO)C(=O)C2CC[NH+](C)CC2)CC1 ZINC001348630920 851877160 /nfs/dbraw/zinc/87/71/60/851877160.db2.gz PFGUQPQNMCBJNJ-UHFFFAOYSA-N 2 0 354.495 -0.393 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(O)C[C@H]3C2)C[C@H]1C[NH+](C)C ZINC001348663620 851879625 /nfs/dbraw/zinc/87/96/25/851879625.db2.gz WRCQXBLCTNZUML-ZXFNITATSA-N 2 0 352.479 -0.833 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)CCN2C(=O)CCNC2=S)C[C@H]1C[NH+](C)C ZINC001348740550 851885000 /nfs/dbraw/zinc/88/50/00/851885000.db2.gz DOGIMUIXSCCFHM-ZIAGYGMSSA-N 2 0 369.535 -0.319 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2C[C@H]3C)CC1 ZINC001348782747 851887040 /nfs/dbraw/zinc/88/70/40/851887040.db2.gz BHAKVTYUVBDKNS-CVEARBPZSA-N 2 0 351.495 -0.613 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2C[C@@H]3C)CC1 ZINC001348782748 851887089 /nfs/dbraw/zinc/88/70/89/851887089.db2.gz BHAKVTYUVBDKNS-HOTGVXAUSA-N 2 0 351.495 -0.613 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@H]2C[N@@H+]3CCN2C[C@H]3C)CC1 ZINC001348782749 851886657 /nfs/dbraw/zinc/88/66/57/851886657.db2.gz BHAKVTYUVBDKNS-HZPDHXFCSA-N 2 0 351.495 -0.613 20 0 FBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@H]2C[N@@H+]3CCN2C[C@@H]3C)CC1 ZINC001348782750 851886923 /nfs/dbraw/zinc/88/69/23/851886923.db2.gz BHAKVTYUVBDKNS-JKSUJKDBSA-N 2 0 351.495 -0.613 20 0 FBADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)C1 ZINC001348821698 851887928 /nfs/dbraw/zinc/88/79/28/851887928.db2.gz PMLOSTGBYOCSIT-QJPTWQEYSA-N 2 0 350.385 -0.008 20 0 FBADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)C1 ZINC001348821913 851887979 /nfs/dbraw/zinc/88/79/79/851887979.db2.gz PMLOSTGBYOCSIT-SDDRHHMPSA-N 2 0 350.385 -0.008 20 0 FBADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1 ZINC001348821914 851887887 /nfs/dbraw/zinc/88/78/87/851887887.db2.gz PMLOSTGBYOCSIT-SRVKXCTJSA-N 2 0 350.385 -0.008 20 0 FBADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)C1 ZINC001348821915 851887953 /nfs/dbraw/zinc/88/79/53/851887953.db2.gz PMLOSTGBYOCSIT-TUAOUCFPSA-N 2 0 350.385 -0.008 20 0 FBADRP CCS(=O)(=O)N1CCC(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)CC1 ZINC001348971677 851896956 /nfs/dbraw/zinc/89/69/56/851896956.db2.gz FNHAWZMHWMUBHL-INIZCTEOSA-N 2 0 362.540 -0.754 20 0 FBADRP CCS(=O)(=O)N1CCC(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)CC1 ZINC001348971678 851896811 /nfs/dbraw/zinc/89/68/11/851896811.db2.gz FNHAWZMHWMUBHL-MRXNPFEDSA-N 2 0 362.540 -0.754 20 0 FBADRP COC(=O)CCCNC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001349026786 851899929 /nfs/dbraw/zinc/89/99/29/851899929.db2.gz YBHKKLDQDWWLSD-ZIAGYGMSSA-N 2 0 356.467 -0.746 20 0 FBADRP C[NH+](C)C1(CNC(=O)NCCN2CCC3(C2)OCCO3)CCOCC1 ZINC001349064203 851903328 /nfs/dbraw/zinc/90/33/28/851903328.db2.gz FPCNLQXMBIYLCO-UHFFFAOYSA-N 2 0 356.467 -0.155 20 0 FBADRP O=C(NCCN1CCC2(C1)OCCO2)NC[C@@H]1CCCC[N@H+]1CCO ZINC001349067293 851903275 /nfs/dbraw/zinc/90/32/75/851903275.db2.gz WESNUJCWMASMPQ-HNNXBMFYSA-N 2 0 356.467 -0.419 20 0 FBADRP O=C(NCCN1CCC2(C1)OCCO2)NC[C@H]1CCCC[N@H+]1CCO ZINC001349067294 851903517 /nfs/dbraw/zinc/90/35/17/851903517.db2.gz WESNUJCWMASMPQ-OAHLLOKOSA-N 2 0 356.467 -0.419 20 0 FBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)COC2CC[NH2+]CC2)cn1 ZINC001349113316 851907821 /nfs/dbraw/zinc/90/78/21/851907821.db2.gz NMVCDOJQLLSJAF-UHFFFAOYSA-N 2 0 352.439 -0.732 20 0 FBADRP CN1CC[NH+](CC2CCN(C(=O)CNC(=O)[C@@H]3CCC[NH2+]3)CC2)CC1 ZINC001349418374 851928498 /nfs/dbraw/zinc/92/84/98/851928498.db2.gz QZTKTKWSMNCWIF-INIZCTEOSA-N 2 0 351.495 -0.659 20 0 FBADRP CN1CC[NH+](CC2CCN(C(=O)CNC(=O)[C@H]3CCC[NH2+]3)CC2)CC1 ZINC001349418415 851928488 /nfs/dbraw/zinc/92/84/88/851928488.db2.gz QZTKTKWSMNCWIF-MRXNPFEDSA-N 2 0 351.495 -0.659 20 0 FBADRP COCCC[NH+]1CCC(NC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)CC1 ZINC001349473677 851931353 /nfs/dbraw/zinc/93/13/53/851931353.db2.gz OSGVULCGGOIGKE-UHFFFAOYSA-N 2 0 361.508 -0.230 20 0 FBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C1([S@@](C)=O)CC[NH2+]CC1 ZINC001349600699 851940669 /nfs/dbraw/zinc/94/06/69/851940669.db2.gz XNNBEEARDLIBLU-DLUDVSRJSA-N 2 0 372.535 -0.454 20 0 FBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C1([S@@](C)=O)CC[NH2+]CC1 ZINC001349600702 851940781 /nfs/dbraw/zinc/94/07/81/851940781.db2.gz XNNBEEARDLIBLU-HWRSSNJWSA-N 2 0 372.535 -0.454 20 0 FBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C1([S@](C)=O)CC[NH2+]CC1 ZINC001349600705 851940351 /nfs/dbraw/zinc/94/03/51/851940351.db2.gz XNNBEEARDLIBLU-PWECECGKSA-N 2 0 372.535 -0.454 20 0 FBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C1([S@](C)=O)CC[NH2+]CC1 ZINC001349600707 851940649 /nfs/dbraw/zinc/94/06/49/851940649.db2.gz XNNBEEARDLIBLU-SXBQZSJRSA-N 2 0 372.535 -0.454 20 0 FBADRP COC[C@@]1(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)C[NH2+]CCO1 ZINC001349600858 851940381 /nfs/dbraw/zinc/94/03/81/851940381.db2.gz ZXJIEDFMOWFGBK-GOSISDBHSA-N 2 0 354.495 -0.334 20 0 FBADRP COC[C@]1(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)C[NH2+]CCO1 ZINC001349600860 851940287 /nfs/dbraw/zinc/94/02/87/851940287.db2.gz ZXJIEDFMOWFGBK-SFHVURJKSA-N 2 0 354.495 -0.334 20 0 FBADRP CN1CCN(C(=O)CNC(=O)C2CCC([NH+]3CCOCC3)CC2)CC1 ZINC001349617517 851941750 /nfs/dbraw/zinc/94/17/50/851941750.db2.gz IGHWOTYNFLOMDJ-UHFFFAOYSA-N 2 0 352.479 -0.232 20 0 FBADRP CS(=O)(=O)C1(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC[NH2+]CC1 ZINC001349620441 851942796 /nfs/dbraw/zinc/94/27/96/851942796.db2.gz JJHLXHPWBBSPPM-CYBMUJFWSA-N 2 0 359.492 -0.572 20 0 FBADRP CS(=O)(=O)C1(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC[NH2+]CC1 ZINC001349620444 851942801 /nfs/dbraw/zinc/94/28/01/851942801.db2.gz JJHLXHPWBBSPPM-ZDUSSCGKSA-N 2 0 359.492 -0.572 20 0 FBADRP COCC[NH2+]C1CCN(C(=O)C(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC001349628399 851942618 /nfs/dbraw/zinc/94/26/18/851942618.db2.gz WYLHZPMORLWOPR-UHFFFAOYSA-N 2 0 352.479 -0.044 20 0 FBADRP C[NH+]1CCCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001349832444 851956046 /nfs/dbraw/zinc/95/60/46/851956046.db2.gz CPOYVHGZUSXVIV-CVEARBPZSA-N 2 0 354.495 -0.108 20 0 FBADRP C[NH+]1CCCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001349832485 851956373 /nfs/dbraw/zinc/95/63/73/851956373.db2.gz CPOYVHGZUSXVIV-HOTGVXAUSA-N 2 0 354.495 -0.108 20 0 FBADRP C[NH+]1CCCC[C@@H]1C(=O)N(CCO)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001349832488 851956195 /nfs/dbraw/zinc/95/61/95/851956195.db2.gz CPOYVHGZUSXVIV-HZPDHXFCSA-N 2 0 354.495 -0.108 20 0 FBADRP C[NH+]1CCCC[C@@H]1C(=O)N(CCO)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001349832489 851956464 /nfs/dbraw/zinc/95/64/64/851956464.db2.gz CPOYVHGZUSXVIV-JKSUJKDBSA-N 2 0 354.495 -0.108 20 0 FBADRP COC[C@]1(C(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)CC[NH2+]C1 ZINC001349848834 851957376 /nfs/dbraw/zinc/95/73/76/851957376.db2.gz CUEUYUOTKOOPMR-KRWDZBQOSA-N 2 0 352.479 -0.055 20 0 FBADRP COC[C@@]1(C(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)CC[NH2+]C1 ZINC001349848837 851957290 /nfs/dbraw/zinc/95/72/90/851957290.db2.gz CUEUYUOTKOOPMR-QGZVFWFLSA-N 2 0 352.479 -0.055 20 0 FBADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC001349849756 851957194 /nfs/dbraw/zinc/95/71/94/851957194.db2.gz QJYIFVGPULAQNJ-YOEHRIQHSA-N 2 0 350.463 -0.445 20 0 FBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)C1 ZINC001349850104 851957204 /nfs/dbraw/zinc/95/72/04/851957204.db2.gz AAVHUFHONNOTBI-FZNQNYSPSA-N 2 0 354.495 -0.252 20 0 FBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001349852454 851957131 /nfs/dbraw/zinc/95/71/31/851957131.db2.gz PTQPECFIKJJACY-IYBDPMFKSA-N 2 0 353.511 -0.461 20 0 FBADRP C[C@@H]1CC2(CN1C(=O)C(=O)N1CC[N@@H+]3C[C@H](O)C[C@H]3C1)CC[NH2+]CC2 ZINC001349866525 851958631 /nfs/dbraw/zinc/95/86/31/851958631.db2.gz XZLJQEVKNXINIL-QLFBSQMISA-N 2 0 350.463 -0.746 20 0 FBADRP C[C@H]1CC2(CN1C(=O)C(=O)N1CC[N@@H+]3C[C@H](O)C[C@H]3C1)CC[NH2+]CC2 ZINC001349866526 851958929 /nfs/dbraw/zinc/95/89/29/851958929.db2.gz XZLJQEVKNXINIL-SOUVJXGZSA-N 2 0 350.463 -0.746 20 0 FBADRP C[C@@H](CNC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)N1CC[NH+](C)CC1 ZINC001349866741 851958497 /nfs/dbraw/zinc/95/84/97/851958497.db2.gz AHZVYIWWSXYVRL-DOTOQJQBSA-N 2 0 353.511 -0.137 20 0 FBADRP C[C@H](CNC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)N1CC[NH+](C)CC1 ZINC001349866742 851958736 /nfs/dbraw/zinc/95/87/36/851958736.db2.gz AHZVYIWWSXYVRL-NVXWUHKLSA-N 2 0 353.511 -0.137 20 0 FBADRP C[C@@H](CNC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)N1CC[NH+](C)CC1 ZINC001349866743 851958807 /nfs/dbraw/zinc/95/88/07/851958807.db2.gz AHZVYIWWSXYVRL-RDJZCZTQSA-N 2 0 353.511 -0.137 20 0 FBADRP C[C@H](CNC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)N1CC[NH+](C)CC1 ZINC001349866744 851958867 /nfs/dbraw/zinc/95/88/67/851958867.db2.gz AHZVYIWWSXYVRL-WBVHZDCISA-N 2 0 353.511 -0.137 20 0 FBADRP COC[C@]1(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)CC[NH2+]C1 ZINC001349891920 851960158 /nfs/dbraw/zinc/96/01/58/851960158.db2.gz AGPHTAFFAJZPSU-AEFFLSMTSA-N 2 0 354.495 -0.475 20 0 FBADRP COC[C@@]1(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CC[NH2+]C1 ZINC001349891924 851959792 /nfs/dbraw/zinc/95/97/92/851959792.db2.gz AGPHTAFFAJZPSU-FUHWJXTLSA-N 2 0 354.495 -0.475 20 0 FBADRP COC[C@@]1(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)CC[NH2+]C1 ZINC001349891929 851960194 /nfs/dbraw/zinc/96/01/94/851960194.db2.gz AGPHTAFFAJZPSU-SJLPKXTDSA-N 2 0 354.495 -0.475 20 0 FBADRP COC[C@]1(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CC[NH2+]C1 ZINC001349891935 851960406 /nfs/dbraw/zinc/96/04/06/851960406.db2.gz AGPHTAFFAJZPSU-WMZOPIPTSA-N 2 0 354.495 -0.475 20 0 FBADRP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1)N1CC[NH+](C)CC1 ZINC001350015919 851963706 /nfs/dbraw/zinc/96/37/06/851963706.db2.gz WLDUMDGZNXJFJR-JYJNAYRXSA-N 2 0 353.511 -0.239 20 0 FBADRP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)N1CC[NH+](C)CC1 ZINC001350015923 851963675 /nfs/dbraw/zinc/96/36/75/851963675.db2.gz WLDUMDGZNXJFJR-OAGGEKHMSA-N 2 0 353.511 -0.239 20 0 FBADRP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1)N1CC[NH+](C)CC1 ZINC001350015924 851963483 /nfs/dbraw/zinc/96/34/83/851963483.db2.gz WLDUMDGZNXJFJR-PMPSAXMXSA-N 2 0 353.511 -0.239 20 0 FBADRP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)N1CC[NH+](C)CC1 ZINC001350015926 851963853 /nfs/dbraw/zinc/96/38/53/851963853.db2.gz WLDUMDGZNXJFJR-XHSDSOJGSA-N 2 0 353.511 -0.239 20 0 FBADRP CC(C)[C@@H](CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[NH+](C)CC1 ZINC001350016016 851964045 /nfs/dbraw/zinc/96/40/45/851964045.db2.gz XUGXTZQWWPJBAE-OWCLPIDISA-N 2 0 351.495 -0.663 20 0 FBADRP CC(C)[C@H](CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[NH+](C)CC1 ZINC001350016018 851963824 /nfs/dbraw/zinc/96/38/24/851963824.db2.gz XUGXTZQWWPJBAE-XHSDSOJGSA-N 2 0 351.495 -0.663 20 0 FBADRP CN1CC[NH+](CCCCNC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC001350024790 851964705 /nfs/dbraw/zinc/96/47/05/851964705.db2.gz AEDCZXSFYUNMPP-WKILWMFISA-N 2 0 353.511 -0.236 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@]2(C1)CCCOC2 ZINC001350027144 851964781 /nfs/dbraw/zinc/96/47/81/851964781.db2.gz AXVSVSGPXQSXOG-GOSISDBHSA-N 2 0 354.495 -0.033 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@]2(C1)CCCOC2 ZINC001350027330 851965058 /nfs/dbraw/zinc/96/50/58/851965058.db2.gz AXVSVSGPXQSXOG-SFHVURJKSA-N 2 0 354.495 -0.033 20 0 FBADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC001350070514 851967105 /nfs/dbraw/zinc/96/71/05/851967105.db2.gz ZQWZXKPBLUYNAU-CABCVRRESA-N 2 0 352.479 -0.329 20 0 FBADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC001350070515 851966873 /nfs/dbraw/zinc/96/68/73/851966873.db2.gz ZQWZXKPBLUYNAU-GJZGRUSLSA-N 2 0 352.479 -0.329 20 0 FBADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC001350070516 851966991 /nfs/dbraw/zinc/96/69/91/851966991.db2.gz ZQWZXKPBLUYNAU-HUUCEWRRSA-N 2 0 352.479 -0.329 20 0 FBADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC001350070517 851967121 /nfs/dbraw/zinc/96/71/21/851967121.db2.gz ZQWZXKPBLUYNAU-LSDHHAIUSA-N 2 0 352.479 -0.329 20 0 FBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@]2(C)COC[C@]2(C)C1 ZINC001350202079 851973380 /nfs/dbraw/zinc/97/33/80/851973380.db2.gz NTVOSOODOWKDMC-HDICACEKSA-N 2 0 354.495 -0.177 20 0 FBADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C1 ZINC001350249221 851976320 /nfs/dbraw/zinc/97/63/20/851976320.db2.gz LMKVPLCQFQCPII-GDBMZVCRSA-N 2 0 352.479 -0.546 20 0 FBADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C1 ZINC001350249222 851976551 /nfs/dbraw/zinc/97/65/51/851976551.db2.gz LMKVPLCQFQCPII-GOEBONIOSA-N 2 0 352.479 -0.546 20 0 FBADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)C1 ZINC001350249223 851976694 /nfs/dbraw/zinc/97/66/94/851976694.db2.gz LMKVPLCQFQCPII-HOCLYGCPSA-N 2 0 352.479 -0.546 20 0 FBADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)C1 ZINC001350249224 851976625 /nfs/dbraw/zinc/97/66/25/851976625.db2.gz LMKVPLCQFQCPII-ZBFHGGJFSA-N 2 0 352.479 -0.546 20 0 FBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CCN(C)C[C@@H]2C[NH3+])CC1 ZINC001350331428 851982556 /nfs/dbraw/zinc/98/25/56/851982556.db2.gz IAUMBQYRJRWHJD-HNNXBMFYSA-N 2 0 354.499 -0.739 20 0 FBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CCN(C)C[C@H]2C[NH3+])CC1 ZINC001350331430 851982417 /nfs/dbraw/zinc/98/24/17/851982417.db2.gz IAUMBQYRJRWHJD-OAHLLOKOSA-N 2 0 354.499 -0.739 20 0 FBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N(C)CC(C)(C)[NH3+])CC1 ZINC001350331455 851982710 /nfs/dbraw/zinc/98/27/10/851982710.db2.gz IHDQWARXFFZOGX-UHFFFAOYSA-N 2 0 355.483 -0.759 20 0 FBADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC001350344270 851983852 /nfs/dbraw/zinc/98/38/52/851983852.db2.gz INAAUSNDXMSLOL-DZKIICNBSA-N 2 0 352.479 -0.058 20 0 FBADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC001350344271 851983459 /nfs/dbraw/zinc/98/34/59/851983459.db2.gz INAAUSNDXMSLOL-LZWOXQAQSA-N 2 0 352.479 -0.058 20 0 FBADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC001350344272 851983779 /nfs/dbraw/zinc/98/37/79/851983779.db2.gz INAAUSNDXMSLOL-OFQRWUPVSA-N 2 0 352.479 -0.058 20 0 FBADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC001350344273 851983340 /nfs/dbraw/zinc/98/33/40/851983340.db2.gz INAAUSNDXMSLOL-SQWLQELKSA-N 2 0 352.479 -0.058 20 0 FBADRP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC001350346650 851983834 /nfs/dbraw/zinc/98/38/34/851983834.db2.gz VGOBJUZDWUWTOW-GDBMZVCRSA-N 2 0 352.479 -0.186 20 0 FBADRP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC001350346651 851983724 /nfs/dbraw/zinc/98/37/24/851983724.db2.gz VGOBJUZDWUWTOW-GOEBONIOSA-N 2 0 352.479 -0.186 20 0 FBADRP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC001350346652 851983626 /nfs/dbraw/zinc/98/36/26/851983626.db2.gz VGOBJUZDWUWTOW-HOCLYGCPSA-N 2 0 352.479 -0.186 20 0 FBADRP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC001350346653 851983608 /nfs/dbraw/zinc/98/36/08/851983608.db2.gz VGOBJUZDWUWTOW-ZBFHGGJFSA-N 2 0 352.479 -0.186 20 0 FBADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC001350356693 851984866 /nfs/dbraw/zinc/98/48/66/851984866.db2.gz ZXXRITUUAOEANV-UHFFFAOYSA-N 2 0 350.423 -0.799 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N(C)CC(C)(C)[NH3+])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001350411762 851988326 /nfs/dbraw/zinc/98/83/26/851988326.db2.gz PCDSNHZNQCDKNF-CABCVRRESA-N 2 0 353.511 -0.334 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)N(C)CC(C)(C)[NH3+])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001350411767 851988206 /nfs/dbraw/zinc/98/82/06/851988206.db2.gz PCDSNHZNQCDKNF-GJZGRUSLSA-N 2 0 353.511 -0.334 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N(C)CC(C)(C)[NH3+])CC[C@H]1[NH+]1CCN(C)CC1 ZINC001350411770 851988529 /nfs/dbraw/zinc/98/85/29/851988529.db2.gz PCDSNHZNQCDKNF-HUUCEWRRSA-N 2 0 353.511 -0.334 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)N(C)CC(C)(C)[NH3+])CC[C@H]1[NH+]1CCN(C)CC1 ZINC001350411775 851988348 /nfs/dbraw/zinc/98/83/48/851988348.db2.gz PCDSNHZNQCDKNF-LSDHHAIUSA-N 2 0 353.511 -0.334 20 0 FBADRP C[C@H](NC(=O)NC1CCN(CC[NH+](C)C)CC1)[C@H]1C[N@H+](C)CCN1C ZINC001350816771 852014462 /nfs/dbraw/zinc/01/44/62/852014462.db2.gz VMXBLYXHSAYIFD-DOTOQJQBSA-N 2 0 354.543 -0.054 20 0 FBADRP C[C@@H](NC(=O)NC1CCN(CC[NH+](C)C)CC1)[C@H]1C[N@H+](C)CCN1C ZINC001350816772 852014481 /nfs/dbraw/zinc/01/44/81/852014481.db2.gz VMXBLYXHSAYIFD-NVXWUHKLSA-N 2 0 354.543 -0.054 20 0 FBADRP C[C@H](NC(=O)NC1CCN(CC[NH+](C)C)CC1)[C@@H]1C[N@H+](C)CCN1C ZINC001350816773 852013855 /nfs/dbraw/zinc/01/38/55/852013855.db2.gz VMXBLYXHSAYIFD-RDJZCZTQSA-N 2 0 354.543 -0.054 20 0 FBADRP C[C@@H](NC(=O)NC1CCN(CC[NH+](C)C)CC1)[C@@H]1C[N@H+](C)CCN1C ZINC001350816774 852014288 /nfs/dbraw/zinc/01/42/88/852014288.db2.gz VMXBLYXHSAYIFD-WBVHZDCISA-N 2 0 354.543 -0.054 20 0 FBADRP COCC[N@H+]1[C@H](C)CN(c2nnc(C3=[NH+]O[C@@H](CO)C3)n2C)C[C@@H]1C ZINC001350920540 852021450 /nfs/dbraw/zinc/02/14/50/852021450.db2.gz IZXAKUIDQRKLJU-FRRDWIJNSA-N 2 0 352.439 -0.154 20 0 FBADRP COCC[N@H+]1[C@H](C)CN(c2nnc(C3=[NH+]O[C@H](CO)C3)n2C)C[C@@H]1C ZINC001350920542 852021585 /nfs/dbraw/zinc/02/15/85/852021585.db2.gz IZXAKUIDQRKLJU-XQQFMLRXSA-N 2 0 352.439 -0.154 20 0 FBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC001351188503 852038510 /nfs/dbraw/zinc/03/85/10/852038510.db2.gz SAPZLSVFNKSWDU-GDBMZVCRSA-N 2 0 351.495 -0.566 20 0 FBADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC001351188504 852038561 /nfs/dbraw/zinc/03/85/61/852038561.db2.gz SAPZLSVFNKSWDU-GOEBONIOSA-N 2 0 351.495 -0.566 20 0 FBADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC001351188505 852039001 /nfs/dbraw/zinc/03/90/01/852039001.db2.gz SAPZLSVFNKSWDU-HOCLYGCPSA-N 2 0 351.495 -0.566 20 0 FBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC001351188506 852039181 /nfs/dbraw/zinc/03/91/81/852039181.db2.gz SAPZLSVFNKSWDU-ZBFHGGJFSA-N 2 0 351.495 -0.566 20 0 FBADRP C[C@H](CNC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)N1CC[NH+](C)CC1 ZINC001351220956 852041820 /nfs/dbraw/zinc/04/18/20/852041820.db2.gz CYQKFFFOOYPRBQ-CABCVRRESA-N 2 0 354.499 -0.739 20 0 FBADRP C[C@@H](CNC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)N1CC[NH+](C)CC1 ZINC001351220957 852042445 /nfs/dbraw/zinc/04/24/45/852042445.db2.gz CYQKFFFOOYPRBQ-GJZGRUSLSA-N 2 0 354.499 -0.739 20 0 FBADRP C[NH+](C)CCOCCNC(=O)C(=O)N[C@H]1CCCN2CCSC[C@@H]12 ZINC001351387999 852047321 /nfs/dbraw/zinc/04/73/21/852047321.db2.gz OLZLMWBCXKUGDS-KBPBESRZSA-N 2 0 358.508 -0.623 20 0 FBADRP C[NH+](C)CCOCCNC(=O)C(=O)N[C@@H]1CCCN2CCSC[C@@H]12 ZINC001351388001 852047294 /nfs/dbraw/zinc/04/72/94/852047294.db2.gz OLZLMWBCXKUGDS-KGLIPLIRSA-N 2 0 358.508 -0.623 20 0 FBADRP C[NH+](C)CCOCCNC(=O)C(=O)N[C@H]1CCCN2CCSC[C@H]12 ZINC001351388003 852047117 /nfs/dbraw/zinc/04/71/17/852047117.db2.gz OLZLMWBCXKUGDS-UONOGXRCSA-N 2 0 358.508 -0.623 20 0 FBADRP C[NH+](C)CCOCCNC(=O)C(=O)N[C@@H]1CCCN2CCSC[C@H]12 ZINC001351388005 852047467 /nfs/dbraw/zinc/04/74/67/852047467.db2.gz OLZLMWBCXKUGDS-ZIAGYGMSSA-N 2 0 358.508 -0.623 20 0 FBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)C1 ZINC001351502226 852056725 /nfs/dbraw/zinc/05/67/25/852056725.db2.gz SBVASGAHUYQGDF-BMFZPTHFSA-N 2 0 352.479 -0.188 20 0 FBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)C1 ZINC001351502229 852056429 /nfs/dbraw/zinc/05/64/29/852056429.db2.gz SBVASGAHUYQGDF-CWRNSKLLSA-N 2 0 352.479 -0.188 20 0 FBADRP [NH3+]CCCOCCNC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001351546780 852059882 /nfs/dbraw/zinc/05/98/82/852059882.db2.gz SUHVIQKNCWNPCV-KGLIPLIRSA-N 2 0 355.439 -0.682 20 0 FBADRP C[NH2+]CCOCCNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001351554389 852060669 /nfs/dbraw/zinc/06/06/69/852060669.db2.gz ZDCOMNYUXVPSFF-HNNXBMFYSA-N 2 0 356.467 -0.902 20 0 FBADRP C[NH2+]CCOCCNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001351554393 852060735 /nfs/dbraw/zinc/06/07/35/852060735.db2.gz ZDCOMNYUXVPSFF-OAHLLOKOSA-N 2 0 356.467 -0.902 20 0 FBADRP O=C(N[C@H]1CC[NH2+]C12CCC2)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001351568490 852061539 /nfs/dbraw/zinc/06/15/39/852061539.db2.gz GOEZYHAWNDYHOT-CABCVRRESA-N 2 0 350.463 -0.243 20 0 FBADRP O=C(N[C@H]1CC[NH2+]C12CCC2)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001351568492 852061272 /nfs/dbraw/zinc/06/12/72/852061272.db2.gz GOEZYHAWNDYHOT-GJZGRUSLSA-N 2 0 350.463 -0.243 20 0 FBADRP O=C(N[C@@H]1CC[NH2+]C12CCC2)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001351568622 852061645 /nfs/dbraw/zinc/06/16/45/852061645.db2.gz GOEZYHAWNDYHOT-HUUCEWRRSA-N 2 0 350.463 -0.243 20 0 FBADRP O=C(N[C@@H]1CC[NH2+]C12CCC2)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001351568625 852061589 /nfs/dbraw/zinc/06/15/89/852061589.db2.gz GOEZYHAWNDYHOT-LSDHHAIUSA-N 2 0 350.463 -0.243 20 0 FBADRP CS(=O)(=O)N1CCC(NC(=O)C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)CC1 ZINC001351801988 852077914 /nfs/dbraw/zinc/07/79/14/852077914.db2.gz UJHGEKMLKXTHTO-UHFFFAOYSA-N 2 0 372.535 -0.008 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC[C@@H]1O ZINC001351930918 852084345 /nfs/dbraw/zinc/08/43/45/852084345.db2.gz FIURXRSTXLHWPA-FPCVCCKLSA-N 2 0 354.495 -0.587 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC[C@@H]1O ZINC001351930920 852084273 /nfs/dbraw/zinc/08/42/73/852084273.db2.gz FIURXRSTXLHWPA-JJXSEGSLSA-N 2 0 354.495 -0.587 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC[C@H]1O ZINC001351930922 852084890 /nfs/dbraw/zinc/08/48/90/852084890.db2.gz FIURXRSTXLHWPA-KLHDSHLOSA-N 2 0 354.495 -0.587 20 0 FBADRP C[C@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC[C@H]1O ZINC001351930995 852084541 /nfs/dbraw/zinc/08/45/41/852084541.db2.gz FIURXRSTXLHWPA-ZJIFWQFVSA-N 2 0 354.495 -0.587 20 0 FBADRP CN1CC[NH+](C2CCN(C(=O)CCNC(=O)[C@@H]3CCC[NH2+]3)CC2)CC1 ZINC001352052736 852090714 /nfs/dbraw/zinc/09/07/14/852090714.db2.gz CHLXAGRLXDRZFK-INIZCTEOSA-N 2 0 351.495 -0.517 20 0 FBADRP CN1CC[NH+](C2CCN(C(=O)CCNC(=O)[C@H]3CCC[NH2+]3)CC2)CC1 ZINC001352052737 852090803 /nfs/dbraw/zinc/09/08/03/852090803.db2.gz CHLXAGRLXDRZFK-MRXNPFEDSA-N 2 0 351.495 -0.517 20 0 FBADRP COCC1(C(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC[NH2+]CC1 ZINC001352072543 852091080 /nfs/dbraw/zinc/09/10/80/852091080.db2.gz PVMKRTVLROQFBY-MCIONIFRSA-N 2 0 352.435 -0.604 20 0 FBADRP COCC1(C(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC[NH2+]CC1 ZINC001352072545 852091164 /nfs/dbraw/zinc/09/11/64/852091164.db2.gz PVMKRTVLROQFBY-MJBXVCDLSA-N 2 0 352.435 -0.604 20 0 FBADRP Cc1nc(NC(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)nn1C ZINC001352190458 852098705 /nfs/dbraw/zinc/09/87/05/852098705.db2.gz NLKTXRCVOYTNPS-CHWSQXEVSA-N 2 0 351.455 -0.740 20 0 FBADRP C[C@H](CNC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)N1CC[NH+](C)CC1 ZINC001352221812 852099636 /nfs/dbraw/zinc/09/96/36/852099636.db2.gz ZJWJOMFHFGUAIH-BRWVUGGUSA-N 2 0 353.511 -0.137 20 0 FBADRP C[C@H](CNC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)N1CC[NH+](C)CC1 ZINC001352221813 852100369 /nfs/dbraw/zinc/10/03/69/852100369.db2.gz ZJWJOMFHFGUAIH-IKGGRYGDSA-N 2 0 353.511 -0.137 20 0 FBADRP C[C@H](CNC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1)N1CC[NH+](C)CC1 ZINC001352221814 852099558 /nfs/dbraw/zinc/09/95/58/852099558.db2.gz ZJWJOMFHFGUAIH-IXDOHACOSA-N 2 0 353.511 -0.137 20 0 FBADRP C[C@H](CNC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CC[NH+](C)CC1 ZINC001352221815 852099813 /nfs/dbraw/zinc/09/98/13/852099813.db2.gz ZJWJOMFHFGUAIH-ZACQAIPSSA-N 2 0 353.511 -0.137 20 0 FBADRP Cc1noc(CNC(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)n1 ZINC001352440977 852114280 /nfs/dbraw/zinc/11/42/80/852114280.db2.gz VJKRDRFDFLQQBV-CHWSQXEVSA-N 2 0 352.439 -0.808 20 0 FBADRP C[C@H](NC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)[C@H]1CCOC1 ZINC001352529511 852119737 /nfs/dbraw/zinc/11/97/37/852119737.db2.gz WOPPBTSEHBDPMH-CAOSSQGBSA-N 2 0 354.495 -0.275 20 0 FBADRP C[C@@H](NC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)[C@@H]1CCOC1 ZINC001352529512 852120026 /nfs/dbraw/zinc/12/00/26/852120026.db2.gz WOPPBTSEHBDPMH-KLHDSHLOSA-N 2 0 354.495 -0.275 20 0 FBADRP C[C@@H](NC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)[C@H]1CCOC1 ZINC001352529513 852120086 /nfs/dbraw/zinc/12/00/86/852120086.db2.gz WOPPBTSEHBDPMH-QKPAOTATSA-N 2 0 354.495 -0.275 20 0 FBADRP C[C@H](NC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)[C@@H]1CCOC1 ZINC001352529514 852119836 /nfs/dbraw/zinc/11/98/36/852119836.db2.gz WOPPBTSEHBDPMH-ZJIFWQFVSA-N 2 0 354.495 -0.275 20 0 FBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)[C@H](C)O1 ZINC001352730160 852133917 /nfs/dbraw/zinc/13/39/17/852133917.db2.gz OETJHARCJPNCGT-JKJDWNRSSA-N 2 0 354.495 -0.134 20 0 FBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)[C@@H](C)O1 ZINC001352730161 852133789 /nfs/dbraw/zinc/13/37/89/852133789.db2.gz OETJHARCJPNCGT-OXGONZEZSA-N 2 0 354.495 -0.134 20 0 FBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)[C@@H](C)O1 ZINC001352730162 852133705 /nfs/dbraw/zinc/13/37/05/852133705.db2.gz OETJHARCJPNCGT-QCODTGAPSA-N 2 0 354.495 -0.134 20 0 FBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)[C@H](C)O1 ZINC001352730163 852133403 /nfs/dbraw/zinc/13/34/03/852133403.db2.gz OETJHARCJPNCGT-YIDVYQOGSA-N 2 0 354.495 -0.134 20 0 FBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)CCO1 ZINC001352800390 852139442 /nfs/dbraw/zinc/13/94/42/852139442.db2.gz XZEXUTSFNKZEHY-GVRJEKJASA-N 2 0 352.479 -0.250 20 0 FBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)CCO1 ZINC001352800392 852139323 /nfs/dbraw/zinc/13/93/23/852139323.db2.gz XZEXUTSFNKZEHY-QMHWVQJVSA-N 2 0 352.479 -0.250 20 0 FBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)CCO1 ZINC001352800394 852138973 /nfs/dbraw/zinc/13/89/73/852138973.db2.gz XZEXUTSFNKZEHY-QXKUPLGCSA-N 2 0 352.479 -0.250 20 0 FBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)CCO1 ZINC001352800396 852138911 /nfs/dbraw/zinc/13/89/11/852138911.db2.gz XZEXUTSFNKZEHY-RBZJEDDUSA-N 2 0 352.479 -0.250 20 0 FBADRP COCC1(C(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)CC[NH2+]CC1 ZINC001352848984 852145237 /nfs/dbraw/zinc/14/52/37/852145237.db2.gz AAHDIQJHVDSNFL-HNNXBMFYSA-N 2 0 352.479 -0.186 20 0 FBADRP COCC1(C(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)CC[NH2+]CC1 ZINC001352848985 852144665 /nfs/dbraw/zinc/14/46/65/852144665.db2.gz AAHDIQJHVDSNFL-OAHLLOKOSA-N 2 0 352.479 -0.186 20 0 FBADRP OC[C@@H]1CCC[NH+](CCOCC[N@H+]2CCC[C@@H](CO)[C@H]2CO)[C@@H]1CO ZINC001352916184 852150386 /nfs/dbraw/zinc/15/03/86/852150386.db2.gz HOGJHKPHLAPIAN-WNRNVDISSA-N 2 0 360.495 -0.867 20 0 FBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC001353055440 852163626 /nfs/dbraw/zinc/16/36/26/852163626.db2.gz LHEQKGYPWKWBMH-HNNXBMFYSA-N 2 0 353.511 -0.284 20 0 FBADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)[C@@H]([NH3+])CCS(C)(=O)=O)CC1 ZINC001353064466 852164867 /nfs/dbraw/zinc/16/48/67/852164867.db2.gz UHSASEULRDBFIF-JYJNAYRXSA-N 2 0 374.551 -0.235 20 0 FBADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)[C@@H]([NH3+])CCS(C)(=O)=O)CC1 ZINC001353064468 852164912 /nfs/dbraw/zinc/16/49/12/852164912.db2.gz UHSASEULRDBFIF-OAGGEKHMSA-N 2 0 374.551 -0.235 20 0 FBADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@@H]([NH3+])CCS(C)(=O)=O)CC1 ZINC001353064471 852164776 /nfs/dbraw/zinc/16/47/76/852164776.db2.gz UHSASEULRDBFIF-XHSDSOJGSA-N 2 0 374.551 -0.235 20 0 FBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[NH2+]CCC23CCOCC3)CC[N@@H+]1C ZINC001353121252 852170558 /nfs/dbraw/zinc/17/05/58/852170558.db2.gz IFPPRQHLRDCPNZ-CABCVRRESA-N 2 0 352.479 -0.044 20 0 FBADRP C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[NH2+]CCC23CCOCC3)CC[N@@H+]1C ZINC001353121253 852170566 /nfs/dbraw/zinc/17/05/66/852170566.db2.gz IFPPRQHLRDCPNZ-GJZGRUSLSA-N 2 0 352.479 -0.044 20 0 FBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[NH2+]CCC23CCOCC3)CC[N@@H+]1C ZINC001353121254 852170053 /nfs/dbraw/zinc/17/00/53/852170053.db2.gz IFPPRQHLRDCPNZ-HUUCEWRRSA-N 2 0 352.479 -0.044 20 0 FBADRP C[C@H]1C[C@H](NC(=O)C(=O)N2CC[NH2+]CCC23CCOCC3)CC[N@@H+]1C ZINC001353121255 852170232 /nfs/dbraw/zinc/17/02/32/852170232.db2.gz IFPPRQHLRDCPNZ-LSDHHAIUSA-N 2 0 352.479 -0.044 20 0 FBADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCc3sc(C[NH3+])nc3C2)CC1=O ZINC001353134822 852171656 /nfs/dbraw/zinc/17/16/56/852171656.db2.gz OEQVWBXITPGYPE-LLVKDONJSA-N 2 0 351.476 -0.103 20 0 FBADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CCc3sc(C[NH3+])nc3C2)CC1=O ZINC001353134824 852171485 /nfs/dbraw/zinc/17/14/85/852171485.db2.gz OEQVWBXITPGYPE-NSHDSACASA-N 2 0 351.476 -0.103 20 0 FBADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001353159164 852174031 /nfs/dbraw/zinc/17/40/31/852174031.db2.gz NIHWUAIWTVHOMK-FMKPAKJESA-N 2 0 352.479 -0.282 20 0 FBADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001353159166 852174018 /nfs/dbraw/zinc/17/40/18/852174018.db2.gz NIHWUAIWTVHOMK-IIAWOOMASA-N 2 0 352.479 -0.282 20 0 FBADRP [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC001353195815 852175979 /nfs/dbraw/zinc/17/59/79/852175979.db2.gz ZYPCAHBAZVXJBT-SHTZXODSSA-N 2 0 352.479 -0.057 20 0 FBADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CCCO1 ZINC001353248437 852178078 /nfs/dbraw/zinc/17/80/78/852178078.db2.gz XLTDPDNPKSPNIN-RLFYNMQTSA-N 2 0 352.479 -0.329 20 0 FBADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CCCO1 ZINC001353248440 852177930 /nfs/dbraw/zinc/17/79/30/852177930.db2.gz XLTDPDNPKSPNIN-RVKKMQEKSA-N 2 0 352.479 -0.329 20 0 FBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 ZINC001353276825 852179241 /nfs/dbraw/zinc/17/92/41/852179241.db2.gz HDOVEHVMMXSPPE-DOTOQJQBSA-N 2 0 352.454 -0.332 20 0 FBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 ZINC001353276829 852178939 /nfs/dbraw/zinc/17/89/39/852178939.db2.gz HDOVEHVMMXSPPE-NVXWUHKLSA-N 2 0 352.454 -0.332 20 0 FBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 ZINC001353276832 852179304 /nfs/dbraw/zinc/17/93/04/852179304.db2.gz HDOVEHVMMXSPPE-RDJZCZTQSA-N 2 0 352.454 -0.332 20 0 FBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 ZINC001353276834 852179118 /nfs/dbraw/zinc/17/91/18/852179118.db2.gz HDOVEHVMMXSPPE-WBVHZDCISA-N 2 0 352.454 -0.332 20 0 FBADRP COc1ccc(CNC(=O)C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)cc1 ZINC001353278301 852179360 /nfs/dbraw/zinc/17/93/60/852179360.db2.gz PLWIBJZUGIGSTR-INIZCTEOSA-N 2 0 350.463 -0.491 20 0 FBADRP COc1ccc(CNC(=O)C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)cc1 ZINC001353278303 852179318 /nfs/dbraw/zinc/17/93/18/852179318.db2.gz PLWIBJZUGIGSTR-MRXNPFEDSA-N 2 0 350.463 -0.491 20 0 FBADRP CN(Cc1ccccc1)C[C@@H](O)C[NH2+]CCN1CCS(=O)(=O)CC1 ZINC001353279126 852179175 /nfs/dbraw/zinc/17/91/75/852179175.db2.gz ZEKISKKCXJJMMM-KRWDZBQOSA-N 2 0 355.504 -0.201 20 0 FBADRP CN(Cc1ccccc1)C[C@H](O)C[NH2+]CCN1CCS(=O)(=O)CC1 ZINC001353279127 852178953 /nfs/dbraw/zinc/17/89/53/852178953.db2.gz ZEKISKKCXJJMMM-QGZVFWFLSA-N 2 0 355.504 -0.201 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NC2CCC([NH3+])CC2)C[C@H]1C[NH+](C)C ZINC001353300310 852179954 /nfs/dbraw/zinc/17/99/54/852179954.db2.gz VWSOUZFOKGPTQR-WXLSXGNJSA-N 3 0 353.511 -0.430 20 0 FBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCNCC[NH2+]CC1 ZINC001353308965 852181436 /nfs/dbraw/zinc/18/14/36/852181436.db2.gz ATFHANUFXPWNHK-HNNXBMFYSA-N 2 0 354.499 -0.867 20 0 FBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CCNCC[NH2+]CC1 ZINC001353308971 852181356 /nfs/dbraw/zinc/18/13/56/852181356.db2.gz ATFHANUFXPWNHK-OAHLLOKOSA-N 2 0 354.499 -0.867 20 0 FBADRP [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC001353309192 852181183 /nfs/dbraw/zinc/18/11/83/852181183.db2.gz JACWCFLOQIUHNV-DZKIICNBSA-N 2 0 352.479 -0.010 20 0 FBADRP [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC001353309195 852181401 /nfs/dbraw/zinc/18/14/01/852181401.db2.gz JACWCFLOQIUHNV-IIAWOOMASA-N 2 0 352.479 -0.010 20 0 FBADRP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC001353324988 852182355 /nfs/dbraw/zinc/18/23/55/852182355.db2.gz FIVLWURDGNVEAI-GASCZTMLSA-N 2 0 352.479 -0.057 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)NCCN2CCC([NH3+])CC2)C[C@H]1C[NH+](C)C ZINC001353466211 852188243 /nfs/dbraw/zinc/18/82/43/852188243.db2.gz DQIOWSRTZGEZHU-HZPDHXFCSA-N 3 0 354.543 -0.210 20 0 FBADRP CCO[C@@H](CNC(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)C[NH+](C)C ZINC001353466696 852187786 /nfs/dbraw/zinc/18/77/86/852187786.db2.gz GQQZOYYXWSLAFH-KBPBESRZSA-N 2 0 356.467 -0.062 20 0 FBADRP CCO[C@@H](CNC(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)C[NH+](C)C ZINC001353466698 852187994 /nfs/dbraw/zinc/18/79/94/852187994.db2.gz GQQZOYYXWSLAFH-KGLIPLIRSA-N 2 0 356.467 -0.062 20 0 FBADRP CCO[C@H](CNC(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)C[NH+](C)C ZINC001353466701 852188154 /nfs/dbraw/zinc/18/81/54/852188154.db2.gz GQQZOYYXWSLAFH-UONOGXRCSA-N 2 0 356.467 -0.062 20 0 FBADRP CCO[C@H](CNC(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)C[NH+](C)C ZINC001353466703 852188354 /nfs/dbraw/zinc/18/83/54/852188354.db2.gz GQQZOYYXWSLAFH-ZIAGYGMSSA-N 2 0 356.467 -0.062 20 0 FBADRP CN1CC[NH+](C2CCN(C(=O)NCCCN3CC[NH2+]CC3)CC2)CC1 ZINC001353488575 852189005 /nfs/dbraw/zinc/18/90/05/852189005.db2.gz KNELUIUZHMOWMK-UHFFFAOYSA-N 2 0 352.527 -0.297 20 0 FBADRP CN(CCOCC[NH3+])C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001353506731 852189297 /nfs/dbraw/zinc/18/92/97/852189297.db2.gz CJQWURBJTIUMQC-INIZCTEOSA-N 2 0 357.499 -0.600 20 0 FBADRP CN(CCOCC[NH3+])C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001353506732 852188884 /nfs/dbraw/zinc/18/88/84/852188884.db2.gz CJQWURBJTIUMQC-MRXNPFEDSA-N 2 0 357.499 -0.600 20 0 FBADRP C[N@@H+]1CCCC[C@H]1CNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC001353527964 852190130 /nfs/dbraw/zinc/19/01/30/852190130.db2.gz MUQFGMUSMRMWCS-HNNXBMFYSA-N 2 0 352.483 -0.177 20 0 FBADRP C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC001353527966 852190529 /nfs/dbraw/zinc/19/05/29/852190529.db2.gz MUQFGMUSMRMWCS-OAHLLOKOSA-N 2 0 352.483 -0.177 20 0 FBADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H]3CCCN(CC[NH3+])C3=O)C2)CC1 ZINC001353548241 852190262 /nfs/dbraw/zinc/19/02/62/852190262.db2.gz HGJNYSYTPRZKED-GDBMZVCRSA-N 2 0 351.495 -0.532 20 0 FBADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3CCCN(CC[NH3+])C3=O)C2)CC1 ZINC001353548242 852190018 /nfs/dbraw/zinc/19/00/18/852190018.db2.gz HGJNYSYTPRZKED-GOEBONIOSA-N 2 0 351.495 -0.532 20 0 FBADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3CCCN(CC[NH3+])C3=O)C2)CC1 ZINC001353548243 852190430 /nfs/dbraw/zinc/19/04/30/852190430.db2.gz HGJNYSYTPRZKED-HOCLYGCPSA-N 2 0 351.495 -0.532 20 0 FBADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCCN(CC[NH3+])C3=O)C2)CC1 ZINC001353548244 852190500 /nfs/dbraw/zinc/19/05/00/852190500.db2.gz HGJNYSYTPRZKED-ZBFHGGJFSA-N 2 0 351.495 -0.532 20 0 FBADRP O=C([C@H]1CC(=O)N(C2C[NH2+]C2)C1)N1CC[NH+](CC2CCOCC2)CC1 ZINC001353548624 852190186 /nfs/dbraw/zinc/19/01/86/852190186.db2.gz MMLNKBRIQQSYAP-HNNXBMFYSA-N 2 0 350.463 -0.623 20 0 FBADRP O=C([C@@H]1CC(=O)N(C2C[NH2+]C2)C1)N1CC[NH+](CC2CCOCC2)CC1 ZINC001353548625 852190118 /nfs/dbraw/zinc/19/01/18/852190118.db2.gz MMLNKBRIQQSYAP-OAHLLOKOSA-N 2 0 350.463 -0.623 20 0 FBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CS(=O)(=O)C3)C1 ZINC001353571142 852191745 /nfs/dbraw/zinc/19/17/45/852191745.db2.gz PFGUUFXBHYKVCM-UXLLHSPISA-N 2 0 373.519 -0.420 20 0 FBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CS(=O)(=O)C3)C1 ZINC001353571144 852191680 /nfs/dbraw/zinc/19/16/80/852191680.db2.gz PFGUUFXBHYKVCM-ZOBUZTSGSA-N 2 0 373.519 -0.420 20 0 FBADRP O=C(C[C@@H]1CS(=O)(=O)[C@H]2C[NH2+]C[C@@H]21)N1CCN(c2cc[nH+]cc2)CC1 ZINC001353581300 852193060 /nfs/dbraw/zinc/19/30/60/852193060.db2.gz IOYXPMXSOCVKBO-BMFZPTHFSA-N 2 0 364.471 -0.247 20 0 FBADRP O=C(C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@H]12)N1CCN(c2cc[nH+]cc2)CC1 ZINC001353581301 852192957 /nfs/dbraw/zinc/19/29/57/852192957.db2.gz IOYXPMXSOCVKBO-FVQBIDKESA-N 2 0 364.471 -0.247 20 0 FBADRP O=C(C[C@@H]1CS(=O)(=O)[C@H]2C[NH2+]C[C@H]21)N1CCN(c2cc[nH+]cc2)CC1 ZINC001353581302 852192994 /nfs/dbraw/zinc/19/29/94/852192994.db2.gz IOYXPMXSOCVKBO-KBMXLJTQSA-N 2 0 364.471 -0.247 20 0 FBADRP O=C(C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@@H]12)N1CCN(c2cc[nH+]cc2)CC1 ZINC001353581303 852192652 /nfs/dbraw/zinc/19/26/52/852192652.db2.gz IOYXPMXSOCVKBO-VNQPRFMTSA-N 2 0 364.471 -0.247 20 0 FBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001353664806 852194728 /nfs/dbraw/zinc/19/47/28/852194728.db2.gz CCJVHSPEGJDTQY-HNNXBMFYSA-N 3 0 353.511 -0.461 20 0 FBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001353664809 852195096 /nfs/dbraw/zinc/19/50/96/852195096.db2.gz CCJVHSPEGJDTQY-OAHLLOKOSA-N 3 0 353.511 -0.461 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2CCC3N=NC(=O)N3C2)C[C@H]1C[NH+](C)C ZINC001353766498 852198397 /nfs/dbraw/zinc/19/83/97/852198397.db2.gz OAELCKXRARNEDF-BFHYXJOUSA-N 2 0 350.467 -0.256 20 0 FBADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2CCC3N=NC(=O)N3C2)C[C@H]1C[NH+](C)C ZINC001353766499 852198302 /nfs/dbraw/zinc/19/83/02/852198302.db2.gz OAELCKXRARNEDF-MGPQQGTHSA-N 2 0 350.467 -0.256 20 0 FBADRP C[NH+](C)CCCOC1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CS(=O)(=O)C3)CC1 ZINC001353772775 852198227 /nfs/dbraw/zinc/19/82/27/852198227.db2.gz GOWIWODLOVFVTL-YOEHRIQHSA-N 2 0 373.519 -0.420 20 0 FBADRP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)O1 ZINC001353834371 852200824 /nfs/dbraw/zinc/20/08/24/852200824.db2.gz BJQYJCVBXKJQID-QKPAOTATSA-N 2 0 352.479 -0.045 20 0 FBADRP [NH3+]CCn1cc(Br)cc(C(=O)NC[C@@H]2C[NH2+]CCO2)c1=O ZINC001353881755 852204253 /nfs/dbraw/zinc/20/42/53/852204253.db2.gz ILVJYQAMJXLOCW-JTQLQIEISA-N 2 0 359.224 -0.712 20 0 FBADRP [NH3+]CCn1cc(Br)cc(C(=O)NC[C@H]2C[NH2+]CCO2)c1=O ZINC001353881758 852203909 /nfs/dbraw/zinc/20/39/09/852203909.db2.gz ILVJYQAMJXLOCW-SNVBAGLBSA-N 2 0 359.224 -0.712 20 0 FBADRP C[NH+](C)CCCN1C(=O)C[C@@H](N2C[C@@H]3CS(=O)(=O)C[C@]3(C)C2)C1=O ZINC001353990294 852207505 /nfs/dbraw/zinc/20/75/05/852207505.db2.gz SEFLPTUXGRILNC-IOASZLSFSA-N 2 0 357.476 -0.568 20 0 FBADRP C[NH+](C)CCCN1C(=O)C[C@H](N2C[C@@H]3CS(=O)(=O)C[C@]3(C)C2)C1=O ZINC001353990469 852207273 /nfs/dbraw/zinc/20/72/73/852207273.db2.gz SEFLPTUXGRILNC-WWGRRREGSA-N 2 0 357.476 -0.568 20 0 FBADRP COC[C@H](CNC(=O)C1CC[NH+](C)CC1)NC(=O)C1CC[NH+](C)CC1 ZINC001354002229 852208281 /nfs/dbraw/zinc/20/82/81/852208281.db2.gz HYYYDBFCJJPPLG-INIZCTEOSA-N 2 0 354.495 -0.083 20 0 FBADRP COC[C@@H](CNC(=O)C1CC[NH+](C)CC1)NC(=O)C1CC[NH+](C)CC1 ZINC001354002231 852208063 /nfs/dbraw/zinc/20/80/63/852208063.db2.gz HYYYDBFCJJPPLG-MRXNPFEDSA-N 2 0 354.495 -0.083 20 0 FBADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CCC3(CO[C@H](C[NH3+])C3)CC2)C1 ZINC001354244203 852216607 /nfs/dbraw/zinc/21/66/07/852216607.db2.gz VOSXFCNZAZQECT-CABCVRRESA-N 2 0 352.479 -0.247 20 0 FBADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC3(CO[C@H](C[NH3+])C3)CC2)C1 ZINC001354244204 852216680 /nfs/dbraw/zinc/21/66/80/852216680.db2.gz VOSXFCNZAZQECT-GJZGRUSLSA-N 2 0 352.479 -0.247 20 0 FBADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)C1 ZINC001354244205 852217380 /nfs/dbraw/zinc/21/73/80/852217380.db2.gz VOSXFCNZAZQECT-HUUCEWRRSA-N 2 0 352.479 -0.247 20 0 FBADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)C1 ZINC001354244206 852217253 /nfs/dbraw/zinc/21/72/53/852217253.db2.gz VOSXFCNZAZQECT-LSDHHAIUSA-N 2 0 352.479 -0.247 20 0 FBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC([NH+]3CCN(C)CC3)CC2)C[C@H]1C[NH3+] ZINC001354245527 852216621 /nfs/dbraw/zinc/21/66/21/852216621.db2.gz CZTJRPPUFVNOAF-HUUCEWRRSA-N 2 0 351.495 -0.722 20 0 FBADRP O=C(N1CCC(CO[C@@H]2CC[NH2+]C2)CC1)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2 ZINC001354449118 852227134 /nfs/dbraw/zinc/22/71/34/852227134.db2.gz FQXGYZJZAPRPSH-UXLLHSPISA-N 2 0 371.503 -0.762 20 0 FBADRP O=C(N1CCC(CO[C@H]2CC[NH2+]C2)CC1)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2 ZINC001354449119 852226766 /nfs/dbraw/zinc/22/67/66/852226766.db2.gz FQXGYZJZAPRPSH-ZOBUZTSGSA-N 2 0 371.503 -0.762 20 0 FBADRP CN1CC[NH+](C2CCN(C(=O)[C@H]3CCCN(CC[NH3+])C3=O)CC2)CC1 ZINC001354524584 852231631 /nfs/dbraw/zinc/23/16/31/852231631.db2.gz ZWRMVKBQMUCWDU-INIZCTEOSA-N 2 0 351.495 -0.578 20 0 FBADRP CN1CC[NH+](C2CCN(C(=O)[C@@H]3CCCN(CC[NH3+])C3=O)CC2)CC1 ZINC001354524585 852231022 /nfs/dbraw/zinc/23/10/22/852231022.db2.gz ZWRMVKBQMUCWDU-MRXNPFEDSA-N 2 0 351.495 -0.578 20 0 FBADRP C[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CS(=O)(=O)C3)CCN1c1cc[nH+]cc1 ZINC001354606364 852234854 /nfs/dbraw/zinc/23/48/54/852234854.db2.gz CQQIZWFTLWIZDV-KEYYUXOJSA-N 2 0 364.471 -0.247 20 0 FBADRP C[C@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CS(=O)(=O)C3)CCN1c1cc[nH+]cc1 ZINC001354606365 852234832 /nfs/dbraw/zinc/23/48/32/852234832.db2.gz CQQIZWFTLWIZDV-ZQIUZPCESA-N 2 0 364.471 -0.247 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CC[C@H](CNC(=O)COCC[NH+](C)C)C2)CC[N@@H+]1C ZINC001354868612 852244899 /nfs/dbraw/zinc/24/48/99/852244899.db2.gz YBLMUYCKJMVXSL-BZUAXINKSA-N 2 0 354.495 -0.131 20 0 FBADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H](CNC(=O)COCC[NH+](C)C)C2)CC[N@@H+]1C ZINC001354868613 852244784 /nfs/dbraw/zinc/24/47/84/852244784.db2.gz YBLMUYCKJMVXSL-OWCLPIDISA-N 2 0 354.495 -0.131 20 0 FBADRP COC1(OC)CCN(CCC[N@@H+]2CCC(OC)(OC)[C@@H](O)C2)C[C@H]1O ZINC001354888495 852246046 /nfs/dbraw/zinc/24/60/46/852246046.db2.gz OVVBFVSLZWDMRC-GASCZTMLSA-N 2 0 362.467 -0.512 20 0 FBADRP O=C([C@@H]1CCCC[NH2+]1)N1CCNCCN(C(=O)[C@@H]2CCCC[NH2+]2)CC1 ZINC001354906241 852246802 /nfs/dbraw/zinc/24/68/02/852246802.db2.gz RSTGJPPGGDUFOE-HOTGVXAUSA-N 3 0 351.495 -0.469 20 0 FBADRP C[C@@]1(C(=O)N2CCNCCN(C(=O)[C@]3(C)CCC[NH2+]3)CC2)CCC[NH2+]1 ZINC001354917341 852248295 /nfs/dbraw/zinc/24/82/95/852248295.db2.gz PMTKBSVUVYRZCI-ROUUACIJSA-N 2 0 351.495 -0.469 20 0 FBADRP CCN1CCC[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1=O ZINC001354934449 852247832 /nfs/dbraw/zinc/24/78/32/852247832.db2.gz SHOCBLZFGNDWKB-AWEZNQCLSA-N 2 0 355.483 -0.935 20 0 FBADRP CCN1CCC[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1=O ZINC001354934451 852248355 /nfs/dbraw/zinc/24/83/55/852248355.db2.gz SHOCBLZFGNDWKB-CQSZACIVSA-N 2 0 355.483 -0.935 20 0 FBADRP C[C@@H]1C[NH2+]C[C@H]1CC(=O)NCC[NH2+]CCNC(=O)C[C@@H]1C[NH2+]C[C@H]1C ZINC001355793114 852276653 /nfs/dbraw/zinc/27/66/53/852276653.db2.gz RMOHYRSEMDHTLQ-KLHDSHLOSA-N 3 0 353.511 -0.700 20 0 FBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001356079545 852286191 /nfs/dbraw/zinc/28/61/91/852286191.db2.gz PVQDPOIKOVGMEQ-ARFHVFGLSA-N 2 0 354.495 -0.131 20 0 FBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001356079547 852285915 /nfs/dbraw/zinc/28/59/15/852285915.db2.gz PVQDPOIKOVGMEQ-HRCADAONSA-N 2 0 354.495 -0.131 20 0 FBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001356079549 852286461 /nfs/dbraw/zinc/28/64/61/852286461.db2.gz PVQDPOIKOVGMEQ-JYJNAYRXSA-N 2 0 354.495 -0.131 20 0 FBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001356079551 852286240 /nfs/dbraw/zinc/28/62/40/852286240.db2.gz PVQDPOIKOVGMEQ-XHSDSOJGSA-N 2 0 354.495 -0.131 20 0 FBADRP C[C@@H]1COCCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC001356299862 852297815 /nfs/dbraw/zinc/29/78/15/852297815.db2.gz RTYAGRHCXZWDLI-ARFHVFGLSA-N 2 0 354.495 -0.321 20 0 FBADRP C[C@H]1COCCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC001356299864 852297834 /nfs/dbraw/zinc/29/78/34/852297834.db2.gz RTYAGRHCXZWDLI-BZUAXINKSA-N 2 0 354.495 -0.321 20 0 FBADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)C1 ZINC001356410959 852307870 /nfs/dbraw/zinc/30/78/70/852307870.db2.gz WUHCQPRWNSGZSS-ARFHVFGLSA-N 2 0 352.479 -0.546 20 0 FBADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)C1 ZINC001356410962 852308594 /nfs/dbraw/zinc/30/85/94/852308594.db2.gz WUHCQPRWNSGZSS-HRCADAONSA-N 2 0 352.479 -0.546 20 0 FBADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)C1 ZINC001356410965 852308044 /nfs/dbraw/zinc/30/80/44/852308044.db2.gz WUHCQPRWNSGZSS-JYJNAYRXSA-N 2 0 352.479 -0.546 20 0 FBADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)C1 ZINC001356410969 852307994 /nfs/dbraw/zinc/30/79/94/852307994.db2.gz WUHCQPRWNSGZSS-XHSDSOJGSA-N 2 0 352.479 -0.546 20 0 FBADRP CCN1CC[NH+](CCCCNC(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC001356439278 852309520 /nfs/dbraw/zinc/30/95/20/852309520.db2.gz SDTIZMBPRGXKCC-CVEARBPZSA-N 2 0 353.511 -0.236 20 0 FBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC001356464742 852309844 /nfs/dbraw/zinc/30/98/44/852309844.db2.gz ZTUQOWQGEAYNTH-KFWWJZLASA-N 2 0 352.479 -0.282 20 0 FBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC001356464744 852309090 /nfs/dbraw/zinc/30/90/90/852309090.db2.gz ZTUQOWQGEAYNTH-SOUVJXGZSA-N 2 0 352.479 -0.282 20 0 FBADRP CN(CCC[NH+](C)C)C(=O)C(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001356477840 852310493 /nfs/dbraw/zinc/31/04/93/852310493.db2.gz DLFJXRMMOFQSRQ-CYBMUJFWSA-N 2 0 354.451 -0.802 20 0 FBADRP CN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001356477843 852310416 /nfs/dbraw/zinc/31/04/16/852310416.db2.gz DLFJXRMMOFQSRQ-ZDUSSCGKSA-N 2 0 354.451 -0.802 20 0 FBADRP COCC[N@H+](C)CCCNC(=O)N1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC001356569384 852313769 /nfs/dbraw/zinc/31/37/69/852313769.db2.gz MSKWISALPMTRGF-VBQJREDUSA-N 2 0 356.467 -0.123 20 0 FBADRP COC[C@H]1C[NH2+]CCN1C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001356609547 852315631 /nfs/dbraw/zinc/31/56/31/852315631.db2.gz QMBGMAGCQRXGPN-CABCVRRESA-N 2 0 355.483 -0.441 20 0 FBADRP COC[C@@H]1C[NH2+]CCN1C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001356609548 852315776 /nfs/dbraw/zinc/31/57/76/852315776.db2.gz QMBGMAGCQRXGPN-GJZGRUSLSA-N 2 0 355.483 -0.441 20 0 FBADRP COC[C@H]1C[NH2+]CCN1C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001356609550 852315909 /nfs/dbraw/zinc/31/59/09/852315909.db2.gz QMBGMAGCQRXGPN-HUUCEWRRSA-N 2 0 355.483 -0.441 20 0 FBADRP COC[C@@H]1C[NH2+]CCN1C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001356609552 852315526 /nfs/dbraw/zinc/31/55/26/852315526.db2.gz QMBGMAGCQRXGPN-LSDHHAIUSA-N 2 0 355.483 -0.441 20 0 FBADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1[NH2+]CC12CCOCC2 ZINC001357150351 852328168 /nfs/dbraw/zinc/32/81/68/852328168.db2.gz GISXODHDQBXUMT-CVEARBPZSA-N 2 0 352.479 -0.722 20 0 FBADRP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1[NH2+]CC12CCOCC2 ZINC001357150362 852328431 /nfs/dbraw/zinc/32/84/31/852328431.db2.gz GISXODHDQBXUMT-HOTGVXAUSA-N 2 0 352.479 -0.722 20 0 FBADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1[NH2+]CC12CCOCC2 ZINC001357150363 852328203 /nfs/dbraw/zinc/32/82/03/852328203.db2.gz GISXODHDQBXUMT-HZPDHXFCSA-N 2 0 352.479 -0.722 20 0 FBADRP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1[NH2+]CC12CCOCC2 ZINC001357150365 852328686 /nfs/dbraw/zinc/32/86/86/852328686.db2.gz GISXODHDQBXUMT-JKSUJKDBSA-N 2 0 352.479 -0.722 20 0 FBADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)N[C@@H]1CC[N@H+](CCN3CCOCC3)C1)C2 ZINC001357166665 852328773 /nfs/dbraw/zinc/32/87/73/852328773.db2.gz OLQAXPIDWUGSIB-HZMVEIRTSA-N 2 0 351.495 -0.086 20 0 FBADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)N[C@@H]1CC[N@H+](CCN3CCOCC3)C1)C2 ZINC001357166670 852328834 /nfs/dbraw/zinc/32/88/34/852328834.db2.gz OLQAXPIDWUGSIB-NXOAAHMSSA-N 2 0 351.495 -0.086 20 0 FBADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)N[C@H]1CC[N@H+](CCN3CCOCC3)C1)C2 ZINC001357166673 852328130 /nfs/dbraw/zinc/32/81/30/852328130.db2.gz OLQAXPIDWUGSIB-QAETUUGQSA-N 2 0 351.495 -0.086 20 0 FBADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)N[C@H]1CC[N@H+](CCN3CCOCC3)C1)C2 ZINC001357166675 852328612 /nfs/dbraw/zinc/32/86/12/852328612.db2.gz OLQAXPIDWUGSIB-YVSFHVDLSA-N 2 0 351.495 -0.086 20 0 FBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)CC1 ZINC001357241709 852331219 /nfs/dbraw/zinc/33/12/19/852331219.db2.gz KARAHNKMZTWTDG-KFWWJZLASA-N 2 0 358.483 -0.836 20 0 FBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)CC1 ZINC001357241710 852331305 /nfs/dbraw/zinc/33/13/05/852331305.db2.gz KARAHNKMZTWTDG-ZNMIVQPWSA-N 2 0 358.483 -0.836 20 0 FBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CCCC[C@H]2NS(=O)(=O)C2CC2)CC1 ZINC001357259621 852331512 /nfs/dbraw/zinc/33/15/12/852331512.db2.gz DRRRWTHKKNODIR-DJIMGWMZSA-N 2 0 374.551 -0.423 20 0 FBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H]2CCCC[C@H]2NS(=O)(=O)C2CC2)CC1 ZINC001357259623 852331481 /nfs/dbraw/zinc/33/14/81/852331481.db2.gz DRRRWTHKKNODIR-USXIJHARSA-N 2 0 374.551 -0.423 20 0 FBADRP CNC(=O)CN1CCC(NC(=O)[C@@H]2CC[NH2+][C@@H]([C@@H]3CCCO3)C2)CC1 ZINC001357363109 852333256 /nfs/dbraw/zinc/33/32/56/852333256.db2.gz WHVVCWCPPHHHBE-BMFZPTHFSA-N 2 0 352.479 -0.140 20 0 FBADRP CNC(=O)CN1CCC(NC(=O)[C@@H]2CC[NH2+][C@@H]([C@H]3CCCO3)C2)CC1 ZINC001357363111 852333395 /nfs/dbraw/zinc/33/33/95/852333395.db2.gz WHVVCWCPPHHHBE-FVQBIDKESA-N 2 0 352.479 -0.140 20 0 FBADRP CNC(=O)CN1CCC(NC(=O)[C@@H]2CC[NH2+][C@H]([C@@H]3CCCO3)C2)CC1 ZINC001357363113 852333938 /nfs/dbraw/zinc/33/39/38/852333938.db2.gz WHVVCWCPPHHHBE-KBMXLJTQSA-N 2 0 352.479 -0.140 20 0 FBADRP CNC(=O)CN1CCC(NC(=O)[C@@H]2CC[NH2+][C@H]([C@H]3CCCO3)C2)CC1 ZINC001357363114 852333837 /nfs/dbraw/zinc/33/38/37/852333837.db2.gz WHVVCWCPPHHHBE-VNQPRFMTSA-N 2 0 352.479 -0.140 20 0 FBADRP COCCC[NH+]1CCC(NC(=O)[C@]23C[NH2+]C[C@H]2CS(=O)(=O)C3)CC1 ZINC001357391070 852335148 /nfs/dbraw/zinc/33/51/48/852335148.db2.gz DYTXJEWHFSIJOS-BBRMVZONSA-N 2 0 359.492 -0.762 20 0 FBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1ccn(CCC[NH3+])n1 ZINC001357391698 852334468 /nfs/dbraw/zinc/33/44/68/852334468.db2.gz LRNUZEGLCQUSSC-HNNXBMFYSA-N 2 0 350.467 -0.096 20 0 FBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1ccn(CCC[NH3+])n1 ZINC001357391699 852334992 /nfs/dbraw/zinc/33/49/92/852334992.db2.gz LRNUZEGLCQUSSC-OAHLLOKOSA-N 2 0 350.467 -0.096 20 0 FBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2ccn(CCC[NH3+])n2)CC1 ZINC001357403493 852334548 /nfs/dbraw/zinc/33/45/48/852334548.db2.gz DLSMPIHKVQFZDT-UHFFFAOYSA-N 2 0 350.467 -0.096 20 0 FBADRP CN1CC[NH2+]C[C@H]1C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC001357429214 852336255 /nfs/dbraw/zinc/33/62/55/852336255.db2.gz YBBURLLOWPNSIC-HNNXBMFYSA-N 2 0 353.511 -0.367 20 0 FBADRP CN1CC[NH2+]C[C@@H]1C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC001357429218 852336122 /nfs/dbraw/zinc/33/61/22/852336122.db2.gz YBBURLLOWPNSIC-OAHLLOKOSA-N 2 0 353.511 -0.367 20 0 FBADRP [NH3+]CCn1cc(Br)cc(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)c1=O ZINC001357472571 852340886 /nfs/dbraw/zinc/34/08/86/852340886.db2.gz RAQFFPGHRPYYKS-UWVGGRQHSA-N 2 0 361.215 -0.001 20 0 FBADRP O=C(N[C@H]1C[NH2+]CC2(CCOCC2)C1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001357560463 852342837 /nfs/dbraw/zinc/34/28/37/852342837.db2.gz OYZZPDHZYSEYQH-CVEARBPZSA-N 2 0 351.495 -0.166 20 0 FBADRP O=C(N[C@@H]1C[NH2+]CC2(CCOCC2)C1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001357560464 852343359 /nfs/dbraw/zinc/34/33/59/852343359.db2.gz OYZZPDHZYSEYQH-HOTGVXAUSA-N 2 0 351.495 -0.166 20 0 FBADRP O=C(N[C@H]1C[NH2+]CC2(CCOCC2)C1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001357560465 852342911 /nfs/dbraw/zinc/34/29/11/852342911.db2.gz OYZZPDHZYSEYQH-HZPDHXFCSA-N 2 0 351.495 -0.166 20 0 FBADRP O=C(N[C@@H]1C[NH2+]CC2(CCOCC2)C1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001357560467 852343384 /nfs/dbraw/zinc/34/33/84/852343384.db2.gz OYZZPDHZYSEYQH-JKSUJKDBSA-N 2 0 351.495 -0.166 20 0 FBADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001357561010 852342988 /nfs/dbraw/zinc/34/29/88/852342988.db2.gz QOJYEBDXBUWTHM-QMIVOQANSA-N 2 0 351.451 -0.192 20 0 FBADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001357561012 852343030 /nfs/dbraw/zinc/34/30/30/852343030.db2.gz QOJYEBDXBUWTHM-RYPNDVFKSA-N 2 0 351.451 -0.192 20 0 FBADRP O=C(NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001357589625 852343945 /nfs/dbraw/zinc/34/39/45/852343945.db2.gz CEHOHRQHULDKOB-BFHYXJOUSA-N 2 0 352.435 -0.868 20 0 FBADRP O=C(NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001357589626 852343866 /nfs/dbraw/zinc/34/38/66/852343866.db2.gz CEHOHRQHULDKOB-MJBXVCDLSA-N 2 0 352.435 -0.868 20 0 FBADRP CCO[C@@H](CNC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])C[NH+](C)C ZINC001357591165 852344286 /nfs/dbraw/zinc/34/42/86/852344286.db2.gz QCVDXXOICAHYSM-CABCVRRESA-N 2 0 357.499 -0.018 20 0 FBADRP CCO[C@@H](CNC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])C[NH+](C)C ZINC001357591166 852343904 /nfs/dbraw/zinc/34/39/04/852343904.db2.gz QCVDXXOICAHYSM-GJZGRUSLSA-N 2 0 357.499 -0.018 20 0 FBADRP CCO[C@H](CNC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])C[NH+](C)C ZINC001357591167 852343926 /nfs/dbraw/zinc/34/39/26/852343926.db2.gz QCVDXXOICAHYSM-HUUCEWRRSA-N 2 0 357.499 -0.018 20 0 FBADRP CCO[C@H](CNC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])C[NH+](C)C ZINC001357591168 852343991 /nfs/dbraw/zinc/34/39/91/852343991.db2.gz QCVDXXOICAHYSM-LSDHHAIUSA-N 2 0 357.499 -0.018 20 0 FBADRP [NH3+][C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CS(=O)(=O)C3)C[C@H]1c1ccccc1F ZINC001357629950 852344309 /nfs/dbraw/zinc/34/43/09/852344309.db2.gz MPSPJTGCDPLOPG-CQPIRRRNSA-N 2 0 367.446 -0.287 20 0 FBADRP [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)[C@@H]3CC(=O)N(C4C[NH2+]C4)C3)CC2)C1 ZINC001357630866 852344323 /nfs/dbraw/zinc/34/43/23/852344323.db2.gz SMPNWFJPOOFAOM-FMKPAKJESA-N 2 0 350.463 -0.448 20 0 FBADRP [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)[C@@H]3CC(=O)N(C4C[NH2+]C4)C3)CC2)C1 ZINC001357630868 852344037 /nfs/dbraw/zinc/34/40/37/852344037.db2.gz SMPNWFJPOOFAOM-IIAWOOMASA-N 2 0 350.463 -0.448 20 0 FBADRP [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)[C@H]3CC(=O)N(C4C[NH2+]C4)C3)CC2)C1 ZINC001357630870 852344182 /nfs/dbraw/zinc/34/41/82/852344182.db2.gz SMPNWFJPOOFAOM-LZWOXQAQSA-N 2 0 350.463 -0.448 20 0 FBADRP [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)[C@H]3CC(=O)N(C4C[NH2+]C4)C3)CC2)C1 ZINC001357630872 852344761 /nfs/dbraw/zinc/34/47/61/852344761.db2.gz SMPNWFJPOOFAOM-SQWLQELKSA-N 2 0 350.463 -0.448 20 0 FBADRP [NH3+]C1CC2(C1)CC(NC(=O)N1CCN(C(=O)N3CC[NH2+]CC3)CC1)C2 ZINC001357765425 852346296 /nfs/dbraw/zinc/34/62/96/852346296.db2.gz WSBMYFVKBDCSGK-UHFFFAOYSA-N 2 0 350.467 -0.391 20 0 FBADRP O=C([C@@H]1CC(=O)N(C2C[NH2+]C2)C1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC001357820737 852347479 /nfs/dbraw/zinc/34/74/79/852347479.db2.gz GPNGTLULTSFFGP-CABCVRRESA-N 2 0 350.463 -0.480 20 0 FBADRP O=C([C@H]1CC(=O)N(C2C[NH2+]C2)C1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC001357820738 852347962 /nfs/dbraw/zinc/34/79/62/852347962.db2.gz GPNGTLULTSFFGP-GJZGRUSLSA-N 2 0 350.463 -0.480 20 0 FBADRP O=C([C@@H]1CC(=O)N(C2C[NH2+]C2)C1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC001357820739 852347849 /nfs/dbraw/zinc/34/78/49/852347849.db2.gz GPNGTLULTSFFGP-HUUCEWRRSA-N 2 0 350.463 -0.480 20 0 FBADRP O=C([C@H]1CC(=O)N(C2C[NH2+]C2)C1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC001357820740 852347416 /nfs/dbraw/zinc/34/74/16/852347416.db2.gz GPNGTLULTSFFGP-LSDHHAIUSA-N 2 0 350.463 -0.480 20 0 FBADRP O=C(N1CCC[C@@H](C2CC[NH2+]CC2)C1)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2 ZINC001357825434 852347911 /nfs/dbraw/zinc/34/79/11/852347911.db2.gz OJJQYNDWXOMDAM-VYDXJSESSA-N 2 0 355.504 -0.141 20 0 FBADRP O=C(N1CCC[C@H](C2CC[NH2+]CC2)C1)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2 ZINC001357825437 852347789 /nfs/dbraw/zinc/34/77/89/852347789.db2.gz OJJQYNDWXOMDAM-ZOBUZTSGSA-N 2 0 355.504 -0.141 20 0 FBADRP CC(C)C[NH2+]CC(=O)N1CCNCCN(C(=O)C[NH2+]CC(C)C)CC1 ZINC001358182796 852354133 /nfs/dbraw/zinc/35/41/33/852354133.db2.gz DLYDGNIVSCCGKM-UHFFFAOYSA-N 2 0 355.527 -0.262 20 0 FBADRP C[NH+](C)C1(C(=O)N2CCNCCN(C(=O)C3([NH+](C)C)CC3)CC2)CC1 ZINC001358182992 852353764 /nfs/dbraw/zinc/35/37/64/852353764.db2.gz HLRZVMRRPUDSQL-UHFFFAOYSA-N 2 0 351.495 -0.565 20 0 FBADRP