smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1ccc(C[N@H+]2CC[C@H](NCCN3CC[NH2+]CC3)[C@H]3CCC[C@@H]32)cc1 ZINC000423205859 446454072 /nfs/dbraw/zinc/45/40/72/446454072.db2.gz PVBJFJIWCVQKIV-HKBOAZHASA-N 2 3 342.531 1.924 20 0 EDADHP c1ccc(C[N@@H+]2CC[C@H](NCCN3CC[NH2+]CC3)[C@H]3CCC[C@@H]32)cc1 ZINC000423205859 446454077 /nfs/dbraw/zinc/45/40/77/446454077.db2.gz PVBJFJIWCVQKIV-HKBOAZHASA-N 2 3 342.531 1.924 20 0 EDADHP CC(C)[C@H](C[NH3+])CN1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000634997845 451640794 /nfs/dbraw/zinc/64/07/94/451640794.db2.gz URJNEINCXKXNJP-JKSUJKDBSA-N 2 3 334.512 1.230 20 0 EDADHP Cc1c(C[C@H](C[NH3+])CN[C@@H](CCC[NH3+])c2ccccc2)cnn1C ZINC000903919577 592377143 /nfs/dbraw/zinc/37/71/43/592377143.db2.gz OIOWQPPXZHIWIN-APWZRJJASA-N 2 3 329.492 1.916 20 0 EDADHP Cc1c(C[C@H](CN)C[NH2+][C@@H](CCC[NH3+])c2ccccc2)cnn1C ZINC000903919577 592377148 /nfs/dbraw/zinc/37/71/48/592377148.db2.gz OIOWQPPXZHIWIN-APWZRJJASA-N 2 3 329.492 1.916 20 0 EDADHP C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000422716120 447726686 /nfs/dbraw/zinc/72/66/86/447726686.db2.gz MXPLILYBYYLBOI-KFKAGJAMSA-N 2 3 335.492 1.859 20 0 EDADHP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000569337554 449006036 /nfs/dbraw/zinc/00/60/36/449006036.db2.gz GOMUVAVGGXPUBT-OWCLPIDISA-N 2 3 327.517 1.170 20 0 EDADHP CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000569337554 449006040 /nfs/dbraw/zinc/00/60/40/449006040.db2.gz GOMUVAVGGXPUBT-OWCLPIDISA-N 2 3 327.517 1.170 20 0 EDADHP CN(C)CCN(CC[NH+](C)C)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000575179531 449055628 /nfs/dbraw/zinc/05/56/28/449055628.db2.gz XMLYDPUJKSTBPU-UHFFFAOYSA-N 2 3 341.544 1.243 20 0 EDADHP CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000641090297 451747254 /nfs/dbraw/zinc/74/72/54/451747254.db2.gz GNICNMYKZZIWKN-IRXDYDNUSA-N 2 3 339.528 1.186 20 0 EDADHP CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000641090297 451747258 /nfs/dbraw/zinc/74/72/58/451747258.db2.gz GNICNMYKZZIWKN-IRXDYDNUSA-N 2 3 339.528 1.186 20 0 EDADHP C[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)C1CC[NH+](C)CC1 ZINC000666190204 452672054 /nfs/dbraw/zinc/67/20/54/452672054.db2.gz BTNPNVANSNTRON-KRWDZBQOSA-N 2 3 338.540 1.103 20 0 EDADHP CC(C)C[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)C(=O)NCCN(C)C ZINC000679086580 487391165 /nfs/dbraw/zinc/39/11/65/487391165.db2.gz LUFDPLMVSYOLIX-RDJZCZTQSA-N 2 3 326.529 1.399 20 0 EDADHP [NH3+][C@H]1CCO[C@H](C2CCN(Cc3ccc(N4CC[NH2+]CC4)o3)CC2)C1 ZINC000904372277 592240137 /nfs/dbraw/zinc/24/01/37/592240137.db2.gz AFVUNMRBWHZFTJ-WMZOPIPTSA-N 2 3 348.491 1.408 20 0 EDADHP Cc1c(C[C@H](C[NH3+])CN2CCC(CCC[NH+](C)C)CC2)cnn1C ZINC000903898846 592369203 /nfs/dbraw/zinc/36/92/03/592369203.db2.gz QMVCHEWWILVLTB-GOSISDBHSA-N 2 3 335.540 1.900 20 0 EDADHP c1nnn([C@H]2CCC[NH2+]C2)c1CN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000903933882 592386294 /nfs/dbraw/zinc/38/62/94/592386294.db2.gz XOWVHSQDEYVZPT-SJORKVTESA-N 2 3 332.496 1.414 20 0 EDADHP C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423513191 252058554 /nfs/dbraw/zinc/05/85/54/252058554.db2.gz QWWQMHHHNYTECT-CMTQZCSUSA-N 2 3 330.520 1.751 20 0 EDADHP C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423513191 252058557 /nfs/dbraw/zinc/05/85/57/252058557.db2.gz QWWQMHHHNYTECT-CMTQZCSUSA-N 2 3 330.520 1.751 20 0 EDADHP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000418716564 285244983 /nfs/dbraw/zinc/24/49/83/285244983.db2.gz SDTWLFSOWGBMDK-KGLIPLIRSA-N 2 3 349.470 1.026 20 0 EDADHP CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000418716564 285244986 /nfs/dbraw/zinc/24/49/86/285244986.db2.gz SDTWLFSOWGBMDK-KGLIPLIRSA-N 2 3 349.470 1.026 20 0 EDADHP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418584263 285245127 /nfs/dbraw/zinc/24/51/27/285245127.db2.gz ODZVKKMWGHGZFO-BRWVUGGUSA-N 2 3 339.528 1.314 20 0 EDADHP CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418584263 285245132 /nfs/dbraw/zinc/24/51/32/285245132.db2.gz ODZVKKMWGHGZFO-BRWVUGGUSA-N 2 3 339.528 1.314 20 0 EDADHP CCOC(=O)C1([C@@H](C)NC2CC([NH+]3CCCCC3)C2)CC[NH2+]CC1 ZINC000423106254 447806143 /nfs/dbraw/zinc/80/61/43/447806143.db2.gz ZNCSLXTZPNZJAJ-KLAILNCOSA-N 2 3 337.508 1.914 20 0 EDADHP CC[NH+]1CCC(NC(=O)CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000649417988 452080470 /nfs/dbraw/zinc/08/04/70/452080470.db2.gz SZZPVPDOHLHLBZ-SJORKVTESA-N 2 3 336.524 1.299 20 0 EDADHP C[NH+](C)CCOc1ccccc1N1CCN(C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903445357 592173084 /nfs/dbraw/zinc/17/30/84/592173084.db2.gz IVLHRJTUJQKLQW-MSOLQXFVSA-N 2 3 346.519 1.876 20 0 EDADHP CC[NH+](CC)CCO[C@@H]1CCN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903740251 592302055 /nfs/dbraw/zinc/30/20/55/592302055.db2.gz FGNJBKLRKXOZFO-KURKYZTESA-N 2 3 325.497 1.188 20 0 EDADHP CC1([NH+]2CCCC2)CCC([NH2+]C[C@H]2CCCN(C(=O)CN)C2)CC1 ZINC000903986453 592406472 /nfs/dbraw/zinc/40/64/72/592406472.db2.gz JYGXNYHVTUGHKE-LRYGQEGESA-N 2 3 336.524 1.570 20 0 EDADHP C[NH2+]C[C@@](C)(O)CN(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000563270838 306325805 /nfs/dbraw/zinc/32/58/05/306325805.db2.gz BZKLZZYNJROHQV-LJQANCHMSA-N 2 3 340.556 1.085 20 0 EDADHP CNC[C@@](C)(O)C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000563270838 306325806 /nfs/dbraw/zinc/32/58/06/306325806.db2.gz BZKLZZYNJROHQV-LJQANCHMSA-N 2 3 340.556 1.085 20 0 EDADHP CNC[C@@](C)(O)C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000563270838 306325807 /nfs/dbraw/zinc/32/58/07/306325807.db2.gz BZKLZZYNJROHQV-LJQANCHMSA-N 2 3 340.556 1.085 20 0 EDADHP CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC([NH3+])(CC)CC ZINC000418436566 251370996 /nfs/dbraw/zinc/37/09/96/251370996.db2.gz IQALXAINAHQDPT-INIZCTEOSA-N 2 3 341.544 1.561 20 0 EDADHP CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC([NH3+])(CC)CC ZINC000418436566 251371000 /nfs/dbraw/zinc/37/10/00/251371000.db2.gz IQALXAINAHQDPT-INIZCTEOSA-N 2 3 341.544 1.561 20 0 EDADHP C[C@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)N1CCCCCC1 ZINC000345765802 143131055 /nfs/dbraw/zinc/13/10/55/143131055.db2.gz MKVYUYARJCCVRS-GOSISDBHSA-N 2 3 340.556 1.983 20 0 EDADHP CN(C)CCN(CC[NH+](C)C)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000119043567 287349436 /nfs/dbraw/zinc/34/94/36/287349436.db2.gz NPNWCDTVMTYYNT-UHFFFAOYSA-N 2 3 341.544 1.242 20 0 EDADHP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000418609733 446614860 /nfs/dbraw/zinc/61/48/60/446614860.db2.gz SRBOLCDNQZTBMC-BRWVUGGUSA-N 2 3 339.528 1.184 20 0 EDADHP CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000418609733 446614865 /nfs/dbraw/zinc/61/48/65/446614865.db2.gz SRBOLCDNQZTBMC-BRWVUGGUSA-N 2 3 339.528 1.184 20 0 EDADHP N[C@@H]1CCCCC[C@@H]1[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000422843179 447766191 /nfs/dbraw/zinc/76/61/91/447766191.db2.gz HHNKKVKIEUZCHC-MOPGFXCFSA-N 2 3 331.508 1.843 20 0 EDADHP C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000422716122 447726801 /nfs/dbraw/zinc/72/68/01/447726801.db2.gz MXPLILYBYYLBOI-ZYSHUDEJSA-N 2 3 335.492 1.859 20 0 EDADHP C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@H]4[NH2+]CC[C@@H]43)CC2)CC1 ZINC000891459545 591078434 /nfs/dbraw/zinc/07/84/34/591078434.db2.gz AXGWLPXJEAWJEY-MSOLQXFVSA-N 2 3 349.523 1.081 20 0 EDADHP CC[NH+](CC)CCO[C@@H]1CCN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903740253 592301219 /nfs/dbraw/zinc/30/12/19/592301219.db2.gz FGNJBKLRKXOZFO-SQNIBIBYSA-N 2 3 325.497 1.188 20 0 EDADHP c1nnn([C@@H]2CCC[NH2+]C2)c1CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000903917755 592390056 /nfs/dbraw/zinc/39/00/56/592390056.db2.gz NBONSBTVOIRXKQ-IXDOHACOSA-N 2 3 332.496 1.414 20 0 EDADHP CN(C)Cc1ccc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1 ZINC000870022049 596712469 /nfs/dbraw/zinc/71/24/69/596712469.db2.gz NXFQBYDXZCVQLS-RTBURBONSA-N 2 3 346.519 1.560 20 0 EDADHP CN(C)CCN(CC[NH+](C)C)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000876110515 597094712 /nfs/dbraw/zinc/09/47/12/597094712.db2.gz OGQNZFVCDPYXNR-UHFFFAOYSA-N 2 3 341.544 1.384 20 0 EDADHP NCc1cn(-c2cccc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)c2)nn1 ZINC000873218228 597231374 /nfs/dbraw/zinc/23/13/74/597231374.db2.gz ZVKJEFHPWRBRTG-HRCADAONSA-N 2 3 326.448 1.204 20 0 EDADHP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)CC1 ZINC000261966107 139240492 /nfs/dbraw/zinc/24/04/92/139240492.db2.gz QBBOVHFGAAASAQ-OTWHNJEPSA-N 2 3 338.540 1.007 20 0 EDADHP NC(=O)C1CC[NH+](Cc2ccc(CN[C@H]3CCC[C@@H]([NH3+])C3)cc2)CC1 ZINC000568248699 448844601 /nfs/dbraw/zinc/84/46/01/448844601.db2.gz YBRXXZLOMLSENG-MOPGFXCFSA-N 2 3 344.503 1.743 20 0 EDADHP NCC(=O)N1CCC[C@@H](C[NH+]2CCC([C@H]3CCC[NH2+]CC3)CC2)C1 ZINC000904417003 592252937 /nfs/dbraw/zinc/25/29/37/592252937.db2.gz WMFNUNPJUSZCGH-IRXDYDNUSA-N 2 3 336.524 1.285 20 0 EDADHP NCc1cn(-c2cccc(C[NH2+]Cc3ccc4c(c3)C[NH2+]CC4)c2)nn1 ZINC000873217693 597230726 /nfs/dbraw/zinc/23/07/26/597230726.db2.gz PFNYUKSEPMDVPE-UHFFFAOYSA-N 2 3 348.454 1.662 20 0 EDADHP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000422720266 447727941 /nfs/dbraw/zinc/72/79/41/447727941.db2.gz ZAUIBGUZLJBCKZ-IBGZPJMESA-N 2 3 334.508 1.278 20 0 EDADHP O=C(CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000649417909 452080301 /nfs/dbraw/zinc/08/03/01/452080301.db2.gz NVGTZNROTSXQAD-SJORKVTESA-N 2 3 348.535 1.441 20 0 EDADHP CN(C)CCNC(=O)c1cccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647790094 452523171 /nfs/dbraw/zinc/52/31/71/452523171.db2.gz RHCXAFKDBHHTLI-IPMKNSEASA-N 2 3 344.503 1.456 20 0 EDADHP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000665240886 453620963 /nfs/dbraw/zinc/62/09/63/453620963.db2.gz VEVXAEXVZGFZLQ-VLQPXKRTSA-N 2 3 333.476 1.095 20 0 EDADHP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000665240886 453620965 /nfs/dbraw/zinc/62/09/65/453620965.db2.gz VEVXAEXVZGFZLQ-VLQPXKRTSA-N 2 3 333.476 1.095 20 0 EDADHP C[C@@H]([NH2+]Cc1cccc(-n2cc(CN)nn2)c1)C1CC[NH+](C)CC1 ZINC000873246869 597238998 /nfs/dbraw/zinc/23/89/98/597238998.db2.gz CLSPUHXJABDCIB-CQSZACIVSA-N 2 3 328.464 1.546 20 0 EDADHP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000422907135 252018106 /nfs/dbraw/zinc/01/81/06/252018106.db2.gz BDNUAEVZMNXJTG-INIZCTEOSA-N 2 3 332.492 1.729 20 0 EDADHP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418584265 285245355 /nfs/dbraw/zinc/24/53/55/285245355.db2.gz ODZVKKMWGHGZFO-IXDOHACOSA-N 2 3 339.528 1.314 20 0 EDADHP CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418584265 285245357 /nfs/dbraw/zinc/24/53/57/285245357.db2.gz ODZVKKMWGHGZFO-IXDOHACOSA-N 2 3 339.528 1.314 20 0 EDADHP C[C@H]1[C@@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CCCN1C ZINC000345755382 445198187 /nfs/dbraw/zinc/19/81/87/445198187.db2.gz RYHXOSIWCCQREY-IRXDYDNUSA-N 2 3 341.544 1.384 20 0 EDADHP Cc1c(C[C@H](C[NH3+])CN2CCC([C@H]3CCC[NH2+]C3)CC2)cnn1C ZINC000903931422 592383729 /nfs/dbraw/zinc/38/37/29/592383729.db2.gz DHPSVOLWSSZECY-AEFFLSMTSA-N 2 3 333.524 1.558 20 0 EDADHP Cc1c(C[C@H](C[NH3+])CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cnn1C ZINC000903917500 592389910 /nfs/dbraw/zinc/38/99/10/592389910.db2.gz MNOXBSBZMQEGCB-SQNIBIBYSA-N 2 3 333.524 1.558 20 0 EDADHP Cc1c(C[C@H](CN)C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cnn1C ZINC000903917500 592389913 /nfs/dbraw/zinc/38/99/13/592389913.db2.gz MNOXBSBZMQEGCB-SQNIBIBYSA-N 2 3 333.524 1.558 20 0 EDADHP Cc1c(C[C@H](CN)C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cnn1C ZINC000903917500 592389915 /nfs/dbraw/zinc/38/99/15/592389915.db2.gz MNOXBSBZMQEGCB-SQNIBIBYSA-N 2 3 333.524 1.558 20 0 EDADHP C[C@@H](CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1)C[NH+](C)C ZINC000849102480 595482164 /nfs/dbraw/zinc/48/21/64/595482164.db2.gz JBVWWKVDPAGHHT-INIZCTEOSA-N 2 3 331.508 1.963 20 0 EDADHP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000876785436 597339706 /nfs/dbraw/zinc/33/97/06/597339706.db2.gz YQYZSASMGGUFRN-UHYXFYNQSA-N 2 3 348.535 1.465 20 0 EDADHP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000422907136 252018513 /nfs/dbraw/zinc/01/85/13/252018513.db2.gz BDNUAEVZMNXJTG-MRXNPFEDSA-N 2 3 332.492 1.729 20 0 EDADHP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CN[C@H]3CCC[C@H]3C[NH3+])c2)C1 ZINC000422886880 295255836 /nfs/dbraw/zinc/25/58/36/295255836.db2.gz JWEJQTLNVCLWOL-FHWLQOOXSA-N 2 3 344.503 1.601 20 0 EDADHP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CN[C@H]3CCC[C@H]3C[NH3+])c2)C1 ZINC000422886880 295255838 /nfs/dbraw/zinc/25/58/38/295255838.db2.gz JWEJQTLNVCLWOL-FHWLQOOXSA-N 2 3 344.503 1.601 20 0 EDADHP COCC[N@H+](C)CCCC1CC[NH+](C[C@H]2CCC3(CNC3)O2)CC1 ZINC000662279345 453004440 /nfs/dbraw/zinc/00/44/40/453004440.db2.gz RXNCFFLQFVXVTD-GOSISDBHSA-N 2 3 339.524 1.578 20 0 EDADHP COCC[N@@H+](C)CCCC1CC[NH+](C[C@H]2CCC3(CNC3)O2)CC1 ZINC000662279345 453004449 /nfs/dbraw/zinc/00/44/49/453004449.db2.gz RXNCFFLQFVXVTD-GOSISDBHSA-N 2 3 339.524 1.578 20 0 EDADHP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C[C@H]1NCc2ccccc21 ZINC000662474246 453185349 /nfs/dbraw/zinc/18/53/49/453185349.db2.gz VXKAXKNXEQTABC-LJQANCHMSA-N 2 3 346.519 1.953 20 0 EDADHP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C[C@@H]1NCc2ccccc21 ZINC000662474244 453185407 /nfs/dbraw/zinc/18/54/07/453185407.db2.gz VXKAXKNXEQTABC-IBGZPJMESA-N 2 3 346.519 1.953 20 0 EDADHP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cccc2c1CCNC2 ZINC000328014085 486028476 /nfs/dbraw/zinc/02/84/76/486028476.db2.gz WXOBIBJTLUGTNU-UHFFFAOYSA-N 2 3 346.519 1.678 20 0 EDADHP CC[NH+](CC)CCCNC(=O)C1CCN(C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903454411 592173804 /nfs/dbraw/zinc/17/38/04/592173804.db2.gz BOBHRUPLFSQGHC-AEFFLSMTSA-N 2 3 338.540 1.402 20 0 EDADHP CC[C@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)[C@H]1CCCCN1 ZINC000423168661 446445882 /nfs/dbraw/zinc/44/58/82/446445882.db2.gz HOPSCDUWAOLRBV-ZWKOTPCHSA-N 2 3 338.540 1.293 20 0 EDADHP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000418604698 446611896 /nfs/dbraw/zinc/61/18/96/446611896.db2.gz YALSUTSGXGXPBH-ZACQAIPSSA-N 2 3 339.528 1.042 20 0 EDADHP CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000418604698 446611900 /nfs/dbraw/zinc/61/19/00/446611900.db2.gz YALSUTSGXGXPBH-ZACQAIPSSA-N 2 3 339.528 1.042 20 0 EDADHP CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@@H](C)[C@H]2CCC[NH3+])CC1 ZINC000662318122 453032754 /nfs/dbraw/zinc/03/27/54/453032754.db2.gz WMDHKSCLYYYPCY-SJLPKXTDSA-N 2 3 338.540 1.815 20 0 EDADHP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@H](c3cc(N4CCNCC4)n[nH]3)C2)CC[NH2+]1 ZINC000663512510 453813480 /nfs/dbraw/zinc/81/34/80/453813480.db2.gz NUMUHUPWEHETJE-ZACQAIPSSA-N 2 3 346.523 1.387 20 0 EDADHP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H](c3cc(N4CCNCC4)n[nH]3)C2)CC[NH2+]1 ZINC000663512510 453813481 /nfs/dbraw/zinc/81/34/81/453813481.db2.gz NUMUHUPWEHETJE-ZACQAIPSSA-N 2 3 346.523 1.387 20 0 EDADHP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@H](N)c2ccccc2)C[C@H]1C[NH+](C)C ZINC000892031476 590760789 /nfs/dbraw/zinc/76/07/89/590760789.db2.gz WTRHOSMFWYWQKO-KURKYZTESA-N 2 3 347.507 1.067 20 0 EDADHP C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000261964008 139240445 /nfs/dbraw/zinc/24/04/45/139240445.db2.gz PRGYXWAZKGUJDQ-INIZCTEOSA-N 2 3 338.540 1.402 20 0 EDADHP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2NCCCN1CC[NH2+]CC1 ZINC000423177413 446446858 /nfs/dbraw/zinc/44/68/58/446446858.db2.gz DWISBLRXXFMLNZ-MJGOQNOKSA-N 2 3 330.476 1.127 20 0 EDADHP COCC[N@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)CC1CCN(C)CC1 ZINC000903776800 592319604 /nfs/dbraw/zinc/31/96/04/592319604.db2.gz WFBOUVSTZPRTGN-GOSISDBHSA-N 2 3 339.524 1.435 20 0 EDADHP COCC[N@@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)CC1CCN(C)CC1 ZINC000903776800 592319607 /nfs/dbraw/zinc/31/96/07/592319607.db2.gz WFBOUVSTZPRTGN-GOSISDBHSA-N 2 3 339.524 1.435 20 0 EDADHP c1nnn([C@@H]2CCC[NH2+]C2)c1CN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000903933879 592386625 /nfs/dbraw/zinc/38/66/25/592386625.db2.gz XOWVHSQDEYVZPT-DLBZAZTESA-N 2 3 332.496 1.414 20 0 EDADHP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000418786466 285246172 /nfs/dbraw/zinc/24/61/72/285246172.db2.gz IZASOMZWIZPUKP-IXDOHACOSA-N 2 3 339.528 1.171 20 0 EDADHP CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000418786466 285246174 /nfs/dbraw/zinc/24/61/74/285246174.db2.gz IZASOMZWIZPUKP-IXDOHACOSA-N 2 3 339.528 1.171 20 0 EDADHP C[C@H](C[C@H](C)[NH3+])NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000422913836 447771367 /nfs/dbraw/zinc/77/13/67/447771367.db2.gz QWAYGSAZERUFLE-JKSUJKDBSA-N 2 3 332.492 1.728 20 0 EDADHP C[NH2+]CCOCCN(C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000629652658 450772865 /nfs/dbraw/zinc/77/28/65/450772865.db2.gz BDZRKJUIPBXINT-UHFFFAOYSA-N 2 3 348.535 1.885 20 0 EDADHP C[C@@]1(CNCC2([NH3+])CCN(Cc3ccccc3)CC2)CCC[NH2+]C1 ZINC000904372928 592240311 /nfs/dbraw/zinc/24/03/11/592240311.db2.gz JXTPOUIWNCWGGV-LJQANCHMSA-N 2 3 330.520 1.959 20 0 EDADHP [NH3+][C@H]1CCCO[C@@H]1C1CCN(Cc2ccc(N3CC[NH2+]CC3)o2)CC1 ZINC000904371318 592240449 /nfs/dbraw/zinc/24/04/49/592240449.db2.gz MJMLXDBPCUXAGY-PKOBYXMFSA-N 2 3 348.491 1.408 20 0 EDADHP CC[NH+](CC)CCO[C@H]1CCN(C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903742763 592304336 /nfs/dbraw/zinc/30/43/36/592304336.db2.gz ZNVMECSWAUGHLW-ZWKOTPCHSA-N 2 3 339.524 1.578 20 0 EDADHP C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000414991022 304148674 /nfs/dbraw/zinc/14/86/74/304148674.db2.gz PWYUAMOZKFKQTN-MYZZLAAOSA-N 2 3 336.524 1.534 20 0 EDADHP C[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1cccc(OCCN(C)C)c1 ZINC000151821186 442125235 /nfs/dbraw/zinc/12/52/35/442125235.db2.gz JCPUUUCZEWMJSJ-QGZVFWFLSA-N 2 3 349.519 1.982 20 0 EDADHP C[C@@H]1CC[NH2+]CC[C@@H]1NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000567226800 448643121 /nfs/dbraw/zinc/64/31/21/448643121.db2.gz FFLHQOJVNPHOEL-MJGOQNOKSA-N 2 3 330.520 1.958 20 0 EDADHP Cc1c(C[C@@H](C[NH3+])CN2CCC(CCC[NH+](C)C)CC2)cnn1C ZINC000903898847 592368363 /nfs/dbraw/zinc/36/83/63/592368363.db2.gz QMVCHEWWILVLTB-SFHVURJKSA-N 2 3 335.540 1.900 20 0 EDADHP Cc1c(C[C@H](C[NH3+])CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cnn1C ZINC000903917497 592390565 /nfs/dbraw/zinc/39/05/65/592390565.db2.gz MNOXBSBZMQEGCB-FGTMMUONSA-N 2 3 333.524 1.558 20 0 EDADHP Cc1c(C[C@H](CN)C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cnn1C ZINC000903917497 592390570 /nfs/dbraw/zinc/39/05/70/592390570.db2.gz MNOXBSBZMQEGCB-FGTMMUONSA-N 2 3 333.524 1.558 20 0 EDADHP Cc1c(C[C@H](CN)C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cnn1C ZINC000903917497 592390574 /nfs/dbraw/zinc/39/05/74/592390574.db2.gz MNOXBSBZMQEGCB-FGTMMUONSA-N 2 3 333.524 1.558 20 0 EDADHP C[NH+]1CCC(N2CCC(NC(=O)CCC34CC(C3)C[NH2+]4)CC2)CC1 ZINC000870876353 596386395 /nfs/dbraw/zinc/38/63/95/596386395.db2.gz LSNFSDZFJWZSGI-UHFFFAOYSA-N 2 3 334.508 1.193 20 0 EDADHP CN(C)CC[NH+]1CCC(CNCc2cc(C3CC[NH2+]CC3)no2)CC1 ZINC000425899666 252313103 /nfs/dbraw/zinc/31/31/03/252313103.db2.gz LPUOLLPXXNWITI-UHFFFAOYSA-N 2 3 349.523 1.505 20 0 EDADHP C[NH+]1CCC(N2CCC(NC(=O)[C@]34C[NH2+]C[C@@H]3CCCC4)CC2)CC1 ZINC000262447525 536339576 /nfs/dbraw/zinc/33/95/76/536339576.db2.gz VLYSGOHPIGSGJB-OXJNMPFZSA-N 2 3 348.535 1.441 20 0 EDADHP Cc1c(C[C@@H](C[NH3+])CN2CCC(C[N@@H+](C)C(C)C)CC2)cnn1C ZINC000903886581 592364512 /nfs/dbraw/zinc/36/45/12/592364512.db2.gz QVBABAGTHZSSBR-SFHVURJKSA-N 2 3 335.540 1.898 20 0 EDADHP Cc1c(C[C@@H](C[NH3+])CN2CCC(C[N@H+](C)C(C)C)CC2)cnn1C ZINC000903886581 592364518 /nfs/dbraw/zinc/36/45/18/592364518.db2.gz QVBABAGTHZSSBR-SFHVURJKSA-N 2 3 335.540 1.898 20 0 EDADHP Cc1c(C[C@H](CN)C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cnn1C ZINC000903932391 592384566 /nfs/dbraw/zinc/38/45/66/592384566.db2.gz QJTLQUCJUZMQLS-UKBAYJJMSA-N 2 3 349.523 1.064 20 0 EDADHP Cc1c(C[C@H](CN)C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cnn1C ZINC000903932391 592384571 /nfs/dbraw/zinc/38/45/71/592384571.db2.gz QJTLQUCJUZMQLS-UKBAYJJMSA-N 2 3 349.523 1.064 20 0 EDADHP Cc1c(C[C@H](C[NH3+])CN2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cnn1C ZINC000903932391 592384576 /nfs/dbraw/zinc/38/45/76/592384576.db2.gz QJTLQUCJUZMQLS-UKBAYJJMSA-N 2 3 349.523 1.064 20 0 EDADHP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)N1CCC(OC)CC1 ZINC000849101942 595482341 /nfs/dbraw/zinc/48/23/41/595482341.db2.gz AUTACCLZGPGZDJ-OAHLLOKOSA-N 2 3 339.528 1.474 20 0 EDADHP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)N1CCC(OC)CC1 ZINC000849101942 595482342 /nfs/dbraw/zinc/48/23/42/595482342.db2.gz AUTACCLZGPGZDJ-OAHLLOKOSA-N 2 3 339.528 1.474 20 0 EDADHP CN(CCC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)c1ccncc1 ZINC000870021221 596712036 /nfs/dbraw/zinc/71/20/36/596712036.db2.gz CNZQHOXZXKTUJY-IAGOWNOFSA-N 2 3 347.507 1.106 20 0 EDADHP C[NH2+]C[C@](C)(O)CN(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000563270831 306325845 /nfs/dbraw/zinc/32/58/45/306325845.db2.gz BZKLZZYNJROHQV-IBGZPJMESA-N 2 3 340.556 1.085 20 0 EDADHP CNC[C@](C)(O)C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000563270831 306325846 /nfs/dbraw/zinc/32/58/46/306325846.db2.gz BZKLZZYNJROHQV-IBGZPJMESA-N 2 3 340.556 1.085 20 0 EDADHP CNC[C@](C)(O)C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000563270831 306325847 /nfs/dbraw/zinc/32/58/47/306325847.db2.gz BZKLZZYNJROHQV-IBGZPJMESA-N 2 3 340.556 1.085 20 0 EDADHP COC[C@H](CCC[NH3+])[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397498227 319134546 /nfs/dbraw/zinc/13/45/46/319134546.db2.gz DEBREHYETPPXEH-SFHVURJKSA-N 2 3 335.492 1.357 20 0 EDADHP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000418574086 446600719 /nfs/dbraw/zinc/60/07/19/446600719.db2.gz LUGDFPAIJAJDLX-BBWFWOEESA-N 2 3 339.528 1.042 20 0 EDADHP CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000418574086 446600724 /nfs/dbraw/zinc/60/07/24/446600724.db2.gz LUGDFPAIJAJDLX-BBWFWOEESA-N 2 3 339.528 1.042 20 0 EDADHP CCCN1CC[C@H](C[NH2+][C@H](C)C2(C(=O)OCC)CC[NH2+]CC2)C1 ZINC000422974847 447785852 /nfs/dbraw/zinc/78/58/52/447785852.db2.gz RVIIXKFMYADZMQ-HZPDHXFCSA-N 2 3 325.497 1.629 20 0 EDADHP NCc1cn(-c2cccc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)c2)nn1 ZINC000873215959 597230599 /nfs/dbraw/zinc/23/05/99/597230599.db2.gz HNTHNHVPODARKU-GBESFXJTSA-N 2 3 340.475 1.736 20 0 EDADHP C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000261964011 139240379 /nfs/dbraw/zinc/24/03/79/139240379.db2.gz PRGYXWAZKGUJDQ-MRXNPFEDSA-N 2 3 338.540 1.402 20 0 EDADHP C[C@@H](N)[C@H](Cc1ccccc1)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423513194 252057688 /nfs/dbraw/zinc/05/76/88/252057688.db2.gz QWWQMHHHNYTECT-WQUXRXDGSA-N 2 3 330.520 1.751 20 0 EDADHP C[C@@H](N)[C@H](Cc1ccccc1)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423513194 252057693 /nfs/dbraw/zinc/05/76/93/252057693.db2.gz QWWQMHHHNYTECT-WQUXRXDGSA-N 2 3 330.520 1.751 20 0 EDADHP CCOC(=O)C1([C@H](C)[NH2+]CC[C@@H](N)Cc2ccccc2)CC[NH2+]CC1 ZINC000602018437 449277836 /nfs/dbraw/zinc/27/78/36/449277836.db2.gz BUJRPBXVQICVEN-FUHWJXTLSA-N 2 3 347.503 1.858 20 0 EDADHP CCOC(=O)C1([C@H](C)NCC[C@@H]([NH3+])Cc2ccccc2)CC[NH2+]CC1 ZINC000602018437 449277845 /nfs/dbraw/zinc/27/78/45/449277845.db2.gz BUJRPBXVQICVEN-FUHWJXTLSA-N 2 3 347.503 1.858 20 0 EDADHP CN1CCC(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)(N2CCCCC2)CC1 ZINC000647788680 452522555 /nfs/dbraw/zinc/52/25/55/452522555.db2.gz ONPJNSGKQIBMAE-GUDVDZBRSA-N 2 3 334.552 1.914 20 0 EDADHP N[C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662293402 453016989 /nfs/dbraw/zinc/01/69/89/453016989.db2.gz ROHVXJCILWTSLW-AABGKKOBSA-N 2 3 331.504 1.629 20 0 EDADHP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662293402 453016992 /nfs/dbraw/zinc/01/69/92/453016992.db2.gz ROHVXJCILWTSLW-AABGKKOBSA-N 2 3 331.504 1.629 20 0 EDADHP [NH3+][C@H]1CCO[C@@H](C2CCN(Cc3ccc(N4CC[NH2+]CC4)o3)CC2)C1 ZINC000904372275 592240297 /nfs/dbraw/zinc/24/02/97/592240297.db2.gz AFVUNMRBWHZFTJ-FUHWJXTLSA-N 2 3 348.491 1.408 20 0 EDADHP c1cc(N2CCNCC2)oc1C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000904377388 592245064 /nfs/dbraw/zinc/24/50/64/592245064.db2.gz PNUJNUVATUCVPY-QGZVFWFLSA-N 2 3 332.492 1.901 20 0 EDADHP c1cc(N2CCNCC2)oc1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000904377388 592245068 /nfs/dbraw/zinc/24/50/68/592245068.db2.gz PNUJNUVATUCVPY-QGZVFWFLSA-N 2 3 332.492 1.901 20 0 EDADHP Cc1c(C[C@H](C[NH3+])CN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cnn1C ZINC000903929072 592382918 /nfs/dbraw/zinc/38/29/18/592382918.db2.gz AEBLRLAEUAOIEH-AYOQOUSVSA-N 2 3 349.523 1.064 20 0 EDADHP Cc1c(C[C@H](C[NH3+])CN2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cnn1C ZINC000903931170 592383448 /nfs/dbraw/zinc/38/34/48/592383448.db2.gz ADDCQGNPKMQVDY-NXWXRZEISA-N 2 3 349.523 1.207 20 0 EDADHP C[NH+](C)C[C@@H]1CN(C(=O)C[C@@H]2NCc3ccccc32)C[C@H]1C[NH+](C)C ZINC000877144491 597442788 /nfs/dbraw/zinc/44/27/88/597442788.db2.gz NZMUVJSWVLUGQC-LMMKCTJWSA-N 2 3 344.503 1.419 20 0 EDADHP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1cccc(OCCN(C)C)c1 ZINC000423182590 299293724 /nfs/dbraw/zinc/29/37/24/299293724.db2.gz QMKFNEDXUVXWFP-KRWDZBQOSA-N 2 3 334.508 1.573 20 0 EDADHP CCN1CC[NH+](CCCC[NH2+][C@H](Cc2ccccc2)[C@@H](C)N)CC1 ZINC000422860862 252003308 /nfs/dbraw/zinc/00/33/08/252003308.db2.gz LYHQCSSDQRRYPF-UYAOXDASSA-N 2 3 332.536 1.952 20 0 EDADHP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CN[C@@H]3CCC[C@H]([NH3+])C3)c2)C1 ZINC000582013522 322245641 /nfs/dbraw/zinc/24/56/41/322245641.db2.gz OIULNMHNOJXEKO-CEXWTWQISA-N 2 3 344.503 1.743 20 0 EDADHP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CN[C@@H]3CCC[C@H]([NH3+])C3)c2)C1 ZINC000582013522 322245643 /nfs/dbraw/zinc/24/56/43/322245643.db2.gz OIULNMHNOJXEKO-CEXWTWQISA-N 2 3 344.503 1.743 20 0 EDADHP Cc1nc(NC[C@H]2CCC[NH+](C)C2)cc(NC[C@@H]2CCC[N@@H+](C)C2)n1 ZINC000536987871 448548418 /nfs/dbraw/zinc/54/84/18/448548418.db2.gz OVJVILWESPPLJM-CALCHBBNSA-N 2 3 346.523 2.292 20 0 EDADHP Cc1nc(NC[C@H]2CCC[NH+](C)C2)cc(NC[C@@H]2CCC[N@H+](C)C2)n1 ZINC000536987871 448548423 /nfs/dbraw/zinc/54/84/23/448548423.db2.gz OVJVILWESPPLJM-CALCHBBNSA-N 2 3 346.523 2.292 20 0 EDADHP Cc1nc(NC[C@H]2CCC[N@H+](C)C2)cc(NC[C@@H]2CCC[NH+](C)C2)n1 ZINC000536987871 448548428 /nfs/dbraw/zinc/54/84/28/448548428.db2.gz OVJVILWESPPLJM-CALCHBBNSA-N 2 3 346.523 2.292 20 0 EDADHP Cc1nc(NC[C@H]2CCC[N@@H+](C)C2)cc(NC[C@@H]2CCC[NH+](C)C2)n1 ZINC000536987871 448548431 /nfs/dbraw/zinc/54/84/31/448548431.db2.gz OVJVILWESPPLJM-CALCHBBNSA-N 2 3 346.523 2.292 20 0 EDADHP C[C@H]([NH3+])C[C@H](C)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000422886490 252012205 /nfs/dbraw/zinc/01/22/05/252012205.db2.gz JERQUVWZTXTMOD-MPGHIAIKSA-N 2 3 332.492 1.599 20 0 EDADHP C[C@H]([NH3+])C[C@H](C)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000422886490 252012207 /nfs/dbraw/zinc/01/22/07/252012207.db2.gz JERQUVWZTXTMOD-MPGHIAIKSA-N 2 3 332.492 1.599 20 0 EDADHP CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000418370130 446518472 /nfs/dbraw/zinc/51/84/72/446518472.db2.gz OYGYSXWAKAVPEI-IRXDYDNUSA-N 2 3 339.528 1.186 20 0 EDADHP CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000418370130 446518478 /nfs/dbraw/zinc/51/84/78/446518478.db2.gz OYGYSXWAKAVPEI-IRXDYDNUSA-N 2 3 339.528 1.186 20 0 EDADHP CCN1CCN([C@H](C)C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000459371607 447647388 /nfs/dbraw/zinc/64/73/88/447647388.db2.gz ILMGVXTYIWVUGG-QGZVFWFLSA-N 2 3 331.508 1.666 20 0 EDADHP CCOC(=O)C1([C@H](C)NC2CC([NH+]3CCCCC3)C2)CC[NH2+]CC1 ZINC000423106252 447805801 /nfs/dbraw/zinc/80/58/01/447805801.db2.gz ZNCSLXTZPNZJAJ-GTPINHCMSA-N 2 3 337.508 1.914 20 0 EDADHP C[C@@H](CNC(=O)N(CCN(C)C)CC[NH+](C)C)C[NH+]1CCCCC1 ZINC000607235078 449588086 /nfs/dbraw/zinc/58/80/86/449588086.db2.gz ZSDNHSULKBUGAU-KRWDZBQOSA-N 2 3 341.544 1.243 20 0 EDADHP CN1CCN(Cc2ccc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cc2)CC1 ZINC000647786185 452520546 /nfs/dbraw/zinc/52/05/46/452520546.db2.gz JXANWNZICYCDAJ-QHAWAJNXSA-N 2 3 342.531 1.912 20 0 EDADHP c1cc(N2CCN(CCC[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)CC2)ccn1 ZINC000647789028 452522890 /nfs/dbraw/zinc/52/28/90/452522890.db2.gz XABYZVZLBDLCLT-GUDVDZBRSA-N 2 3 343.519 1.571 20 0 EDADHP N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCCC[C@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652363570 452544195 /nfs/dbraw/zinc/54/41/95/452544195.db2.gz IFBPJFGDEJVHNR-JAZQRGJZSA-N 2 3 347.503 1.278 20 0 EDADHP N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCCC[C@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652363570 452544205 /nfs/dbraw/zinc/54/42/05/452544205.db2.gz IFBPJFGDEJVHNR-JAZQRGJZSA-N 2 3 347.503 1.278 20 0 EDADHP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCCC[C@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652363570 452544213 /nfs/dbraw/zinc/54/42/13/452544213.db2.gz IFBPJFGDEJVHNR-JAZQRGJZSA-N 2 3 347.503 1.278 20 0 EDADHP [NH3+][C@@H](CNCC1([NH3+])CCN(Cc2ccccc2)CC1)CC(F)F ZINC000903929901 592382940 /nfs/dbraw/zinc/38/29/40/592382940.db2.gz NXMXWPHPCZCNFK-OAHLLOKOSA-N 2 3 326.435 1.552 20 0 EDADHP N[C@@H](C[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)CC(F)F ZINC000903929901 592382943 /nfs/dbraw/zinc/38/29/43/592382943.db2.gz NXMXWPHPCZCNFK-OAHLLOKOSA-N 2 3 326.435 1.552 20 0 EDADHP [NH3+]Cc1ccc(CN2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000904302439 592472191 /nfs/dbraw/zinc/47/21/91/592472191.db2.gz WILVLBOESBRMTH-MSOLQXFVSA-N 2 3 330.476 1.226 20 0 EDADHP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)CC1 ZINC000261966110 139240531 /nfs/dbraw/zinc/24/05/31/139240531.db2.gz QBBOVHFGAAASAQ-QRVBRYPASA-N 2 3 338.540 1.007 20 0 EDADHP CN(C)CCNC(=O)c1cccc(C[NH2+]C2CCC(C[NH3+])CC2)c1 ZINC000422910310 252020885 /nfs/dbraw/zinc/02/08/85/252020885.db2.gz QHOHELQYZNZLPS-UHFFFAOYSA-N 2 3 332.492 1.585 20 0 EDADHP CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](C)CCC[NH3+] ZINC000418701605 285278645 /nfs/dbraw/zinc/27/86/45/285278645.db2.gz KHGGLMVWCNORNS-CVEARBPZSA-N 2 3 327.517 1.171 20 0 EDADHP CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](C)CCC[NH3+] ZINC000418701605 285278647 /nfs/dbraw/zinc/27/86/47/285278647.db2.gz KHGGLMVWCNORNS-CVEARBPZSA-N 2 3 327.517 1.171 20 0 EDADHP [NH3+]C[C@@H](CN1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)c1ccc(F)cc1 ZINC000333582453 141340396 /nfs/dbraw/zinc/34/03/96/141340396.db2.gz OBBZFFSPNHPWQJ-JQHSSLGASA-N 2 3 333.451 1.568 20 0 EDADHP NC[C@@H](C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)c1ccc(F)cc1 ZINC000333582453 141340398 /nfs/dbraw/zinc/34/03/98/141340398.db2.gz OBBZFFSPNHPWQJ-JQHSSLGASA-N 2 3 333.451 1.568 20 0 EDADHP NC[C@@H](C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)c1ccc(F)cc1 ZINC000333582453 141340399 /nfs/dbraw/zinc/34/03/99/141340399.db2.gz OBBZFFSPNHPWQJ-JQHSSLGASA-N 2 3 333.451 1.568 20 0 EDADHP CC(C)N1CCN(CCC[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)CC1 ZINC000567895654 321266909 /nfs/dbraw/zinc/26/69/09/321266909.db2.gz STNGUXDGFYPJHB-MOPGFXCFSA-N 2 3 338.540 1.231 20 0 EDADHP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000418370128 446517945 /nfs/dbraw/zinc/51/79/45/446517945.db2.gz OYGYSXWAKAVPEI-DLBZAZTESA-N 2 3 339.528 1.186 20 0 EDADHP CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000418370128 446517950 /nfs/dbraw/zinc/51/79/50/446517950.db2.gz OYGYSXWAKAVPEI-DLBZAZTESA-N 2 3 339.528 1.186 20 0 EDADHP CC[NH2+][C@H](C)CNC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000418600349 446609353 /nfs/dbraw/zinc/60/93/53/446609353.db2.gz JLUZZKIBYIWYKS-CVEARBPZSA-N 2 3 327.517 1.042 20 0 EDADHP CC[NH2+][C@H](C)CNC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000418600349 446609358 /nfs/dbraw/zinc/60/93/58/446609358.db2.gz JLUZZKIBYIWYKS-CVEARBPZSA-N 2 3 327.517 1.042 20 0 EDADHP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000422716121 447727037 /nfs/dbraw/zinc/72/70/37/447727037.db2.gz MXPLILYBYYLBOI-SNRMKQJTSA-N 2 3 335.492 1.859 20 0 EDADHP O[C@@H]1CCN(Cc2ccccc2C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647794197 452526837 /nfs/dbraw/zinc/52/68/37/452526837.db2.gz UCLPZWRRRZIRGE-VBSBHUPXSA-N 2 3 329.488 1.731 20 0 EDADHP C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000665240883 453620901 /nfs/dbraw/zinc/62/09/01/453620901.db2.gz VEVXAEXVZGFZLQ-KLIQENQMSA-N 2 3 333.476 1.095 20 0 EDADHP C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000665240883 453620904 /nfs/dbraw/zinc/62/09/04/453620904.db2.gz VEVXAEXVZGFZLQ-KLIQENQMSA-N 2 3 333.476 1.095 20 0 EDADHP c1cc(N2CC[NH2+]CC2)oc1CN1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000904376563 592245338 /nfs/dbraw/zinc/24/53/38/592245338.db2.gz BXASOJDMIYATOL-KRWDZBQOSA-N 2 3 332.492 1.901 20 0 EDADHP CCN1CCC[C@@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C1 ZINC000339948434 142209320 /nfs/dbraw/zinc/20/93/20/142209320.db2.gz ZKFRUKVVHGQHAP-QGZVFWFLSA-N 2 3 341.544 1.386 20 0 EDADHP N[C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000580075524 322006525 /nfs/dbraw/zinc/00/65/25/322006525.db2.gz HAWIFQLXWRPRRM-FUMNGEBKSA-N 2 3 347.503 1.136 20 0 EDADHP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000580075524 322006527 /nfs/dbraw/zinc/00/65/27/322006527.db2.gz HAWIFQLXWRPRRM-FUMNGEBKSA-N 2 3 347.503 1.136 20 0 EDADHP C[NH+](C)[C@H](CNC(=O)CN1CCC2(CC[NH2+]C2)CC1)c1ccccc1 ZINC000420342294 446513819 /nfs/dbraw/zinc/51/38/19/446513819.db2.gz QRNFJJVIOABCRM-GOSISDBHSA-N 2 3 344.503 1.481 20 0 EDADHP [NH3+]C1CCN(CCCC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000433139401 446535470 /nfs/dbraw/zinc/53/54/70/446535470.db2.gz XFFUCSYBOUKETP-LJQANCHMSA-N 2 3 344.503 1.580 20 0 EDADHP [NH3+]C1CCN(CCCC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000433139401 446535475 /nfs/dbraw/zinc/53/54/75/446535475.db2.gz XFFUCSYBOUKETP-LJQANCHMSA-N 2 3 344.503 1.580 20 0 EDADHP NC[C@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000576704476 448120008 /nfs/dbraw/zinc/12/00/08/448120008.db2.gz UMQHGMARHBZZDJ-VQTJNVASSA-N 2 3 330.520 1.564 20 0 EDADHP NC[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000576704476 448120014 /nfs/dbraw/zinc/12/00/14/448120014.db2.gz UMQHGMARHBZZDJ-VQTJNVASSA-N 2 3 330.520 1.564 20 0 EDADHP CN(C)CCNC(=O)c1cccc(C[NH2+]CC2CC[NH+](C)CC2)c1 ZINC000892867084 591208365 /nfs/dbraw/zinc/20/83/65/591208365.db2.gz VSUXXEGODKKRHQ-UHFFFAOYSA-N 2 3 332.492 1.409 20 0 EDADHP CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000576403733 448045916 /nfs/dbraw/zinc/04/59/16/448045916.db2.gz XUSHWEHAZDRYSU-DLBZAZTESA-N 2 3 336.524 1.297 20 0 EDADHP C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3CC[NH2+]C34CCC4)CC2)CC1 ZINC000529301651 448812705 /nfs/dbraw/zinc/81/27/05/448812705.db2.gz UULWWCVKOCNUCE-KRWDZBQOSA-N 2 3 349.523 1.129 20 0 EDADHP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000569337552 449006150 /nfs/dbraw/zinc/00/61/50/449006150.db2.gz GOMUVAVGGXPUBT-BZUAXINKSA-N 2 3 327.517 1.170 20 0 EDADHP CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000569337552 449006151 /nfs/dbraw/zinc/00/61/51/449006151.db2.gz GOMUVAVGGXPUBT-BZUAXINKSA-N 2 3 327.517 1.170 20 0 EDADHP c1c(N2CCNCC2)n[nH]c1[C@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000662336728 453053935 /nfs/dbraw/zinc/05/39/35/453053935.db2.gz GCBUVUYMQAERIS-SJORKVTESA-N 2 3 346.523 1.388 20 0 EDADHP c1c(N2CCNCC2)n[nH]c1[C@H]1CCC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000662336728 453053943 /nfs/dbraw/zinc/05/39/43/453053943.db2.gz GCBUVUYMQAERIS-SJORKVTESA-N 2 3 346.523 1.388 20 0 EDADHP COCC1(C[NH2+]Cc2ccc(OCCN(C)C)cc2)CC[NH2+]CC1 ZINC000666893994 453221250 /nfs/dbraw/zinc/22/12/50/453221250.db2.gz SFKQKOUUYPDVIQ-UHFFFAOYSA-N 2 3 335.492 1.733 20 0 EDADHP CC[NH+](CC)CCO[C@@H]1CCN(C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903742698 592304678 /nfs/dbraw/zinc/30/46/78/592304678.db2.gz ZNVMECSWAUGHLW-QZTJIDSGSA-N 2 3 339.524 1.578 20 0 EDADHP O=C([C@H]1CCC[N@@H+]1C1CCOCC1)N1CCC[C@@H]1C[NH2+]CC1CC1 ZINC001034957200 711428286 /nfs/dbraw/zinc/42/82/86/711428286.db2.gz MKYJIYJPEKQCGY-QZTJIDSGSA-N 2 3 335.492 1.620 20 0 EDADHP O=C([C@H]1CCC[N@H+]1C1CCOCC1)N1CCC[C@@H]1C[NH2+]CC1CC1 ZINC001034957200 711428288 /nfs/dbraw/zinc/42/82/88/711428288.db2.gz MKYJIYJPEKQCGY-QZTJIDSGSA-N 2 3 335.492 1.620 20 0 EDADHP CC[C@@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)[C@H]1CCCCN1 ZINC000423168659 446446531 /nfs/dbraw/zinc/44/65/31/446446531.db2.gz HOPSCDUWAOLRBV-QZTJIDSGSA-N 2 3 338.540 1.293 20 0 EDADHP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCC1(C[NH3+])CC1 ZINC000652240675 452426960 /nfs/dbraw/zinc/42/69/60/452426960.db2.gz KRIQODCEIFATBZ-MRXNPFEDSA-N 2 3 339.528 1.173 20 0 EDADHP CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCC1(C[NH3+])CC1 ZINC000652240675 452426968 /nfs/dbraw/zinc/42/69/68/452426968.db2.gz KRIQODCEIFATBZ-MRXNPFEDSA-N 2 3 339.528 1.173 20 0 EDADHP CCN1CCC[C@H]1CNC(=[NH2+])NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000849104033 595482196 /nfs/dbraw/zinc/48/21/96/595482196.db2.gz JRDGWPFGPTUPTR-CVEARBPZSA-N 2 3 325.501 1.086 20 0 EDADHP CCN1CCC[C@H]1CNC(=[NH2+])NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000849104033 595482198 /nfs/dbraw/zinc/48/21/98/595482198.db2.gz JRDGWPFGPTUPTR-CVEARBPZSA-N 2 3 325.501 1.086 20 0 EDADHP NCc1cn(-c2cccc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)c2)nn1 ZINC000873218227 597231432 /nfs/dbraw/zinc/23/14/32/597231432.db2.gz ZVKJEFHPWRBRTG-BZUAXINKSA-N 2 3 326.448 1.204 20 0 EDADHP CN(C)CCN(CC[NH+](C)C)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000077752249 441846832 /nfs/dbraw/zinc/84/68/32/441846832.db2.gz SKGDSZOREYTDOV-UHFFFAOYSA-N 2 3 341.544 1.386 20 0 EDADHP C[C@@H]1CN(CCC2CC[NH+](CCN3CC[NH2+]CC3)CC2)C[C@@H](C)O1 ZINC000566302674 321225902 /nfs/dbraw/zinc/22/59/02/321225902.db2.gz HEMUCUMFOGLUFL-QZTJIDSGSA-N 2 3 338.540 1.103 20 0 EDADHP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000418574088 446601104 /nfs/dbraw/zinc/60/11/04/446601104.db2.gz LUGDFPAIJAJDLX-GVDBMIGSSA-N 2 3 339.528 1.042 20 0 EDADHP CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000418574088 446601106 /nfs/dbraw/zinc/60/11/06/446601106.db2.gz LUGDFPAIJAJDLX-GVDBMIGSSA-N 2 3 339.528 1.042 20 0 EDADHP NCC(=O)N1CCC[C@H](C[NH+]2CCC([C@H]3CCC[NH2+]CC3)CC2)C1 ZINC000904417004 592252854 /nfs/dbraw/zinc/25/28/54/592252854.db2.gz WMFNUNPJUSZCGH-SJORKVTESA-N 2 3 336.524 1.285 20 0 EDADHP [NH3+][C@H](CNCC1([NH3+])CCN(Cc2ccccc2)CC1)CC(F)F ZINC000903929900 592382362 /nfs/dbraw/zinc/38/23/62/592382362.db2.gz NXMXWPHPCZCNFK-HNNXBMFYSA-N 2 3 326.435 1.552 20 0 EDADHP N[C@H](C[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)CC(F)F ZINC000903929900 592382366 /nfs/dbraw/zinc/38/23/66/592382366.db2.gz NXMXWPHPCZCNFK-HNNXBMFYSA-N 2 3 326.435 1.552 20 0 EDADHP Cc1c(C[C@H](C[NH3+])CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cnn1C ZINC000903917499 592390177 /nfs/dbraw/zinc/39/01/77/592390177.db2.gz MNOXBSBZMQEGCB-KZNAEPCWSA-N 2 3 333.524 1.558 20 0 EDADHP Cc1c(C[C@H](CN)C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cnn1C ZINC000903917499 592390181 /nfs/dbraw/zinc/39/01/81/592390181.db2.gz MNOXBSBZMQEGCB-KZNAEPCWSA-N 2 3 333.524 1.558 20 0 EDADHP Cc1c(C[C@H](CN)C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cnn1C ZINC000903917499 592390185 /nfs/dbraw/zinc/39/01/85/592390185.db2.gz MNOXBSBZMQEGCB-KZNAEPCWSA-N 2 3 333.524 1.558 20 0 EDADHP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1CNCc2ccccc21 ZINC000327247200 444380963 /nfs/dbraw/zinc/38/09/63/444380963.db2.gz NZNAFFQXYJXYOO-IBGZPJMESA-N 2 3 346.519 1.605 20 0 EDADHP CCOC(=O)C1([C@H](C)NCC2([NH3+])CCCCCC2)CC[NH2+]CC1 ZINC000423197900 446451678 /nfs/dbraw/zinc/45/16/78/446451678.db2.gz BWFZGEIQISVZDM-HNNXBMFYSA-N 2 3 325.497 1.949 20 0 EDADHP C[C@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)N1[C@H](C)CC[C@@H]1C ZINC000412118956 446869454 /nfs/dbraw/zinc/86/94/54/446869454.db2.gz CCBPQHGMQGBOIX-FGTMMUONSA-N 2 3 340.556 1.980 20 0 EDADHP NC(=O)C1CC[NH+](Cc2ccc(CN[C@@H]3CCC[C@@H]([NH3+])C3)cc2)CC1 ZINC000568248702 448845374 /nfs/dbraw/zinc/84/53/74/448845374.db2.gz YBRXXZLOMLSENG-RTBURBONSA-N 2 3 344.503 1.743 20 0 EDADHP COCC[N@H+](C)CCCC1CC[NH+](C[C@@H]2CCC3(CNC3)O2)CC1 ZINC000662279346 453003774 /nfs/dbraw/zinc/00/37/74/453003774.db2.gz RXNCFFLQFVXVTD-SFHVURJKSA-N 2 3 339.524 1.578 20 0 EDADHP COCC[N@@H+](C)CCCC1CC[NH+](C[C@@H]2CCC3(CNC3)O2)CC1 ZINC000662279346 453003780 /nfs/dbraw/zinc/00/37/80/453003780.db2.gz RXNCFFLQFVXVTD-SFHVURJKSA-N 2 3 339.524 1.578 20 0 EDADHP Cc1c(C[C@H](C[NH3+])CN2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cnn1C ZINC000903931171 592383383 /nfs/dbraw/zinc/38/33/83/592383383.db2.gz ADDCQGNPKMQVDY-OWYHZJEWSA-N 2 3 349.523 1.207 20 0 EDADHP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)N1CCC(OC)CC1 ZINC000849101941 595482043 /nfs/dbraw/zinc/48/20/43/595482043.db2.gz AUTACCLZGPGZDJ-HNNXBMFYSA-N 2 3 339.528 1.474 20 0 EDADHP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)N1CCC(OC)CC1 ZINC000849101941 595482045 /nfs/dbraw/zinc/48/20/45/595482045.db2.gz AUTACCLZGPGZDJ-HNNXBMFYSA-N 2 3 339.528 1.474 20 0 EDADHP CC[C@H](C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)N(CC)CC ZINC000870021301 596712142 /nfs/dbraw/zinc/71/21/42/596712142.db2.gz MYHFKODGKNYOPK-BRWVUGGUSA-N 2 3 326.529 1.305 20 0 EDADHP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000569337551 449006188 /nfs/dbraw/zinc/00/61/88/449006188.db2.gz GOMUVAVGGXPUBT-ARFHVFGLSA-N 2 3 327.517 1.170 20 0 EDADHP CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000569337551 449006191 /nfs/dbraw/zinc/00/61/91/449006191.db2.gz GOMUVAVGGXPUBT-ARFHVFGLSA-N 2 3 327.517 1.170 20 0 EDADHP CN1CCC(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)(N2CCCCC2)CC1 ZINC000647788679 452522338 /nfs/dbraw/zinc/52/23/38/452522338.db2.gz ONPJNSGKQIBMAE-GBESFXJTSA-N 2 3 334.552 1.914 20 0 EDADHP N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652363572 452545644 /nfs/dbraw/zinc/54/56/44/452545644.db2.gz IFBPJFGDEJVHNR-UJMXGEILSA-N 2 3 347.503 1.278 20 0 EDADHP N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652363572 452545651 /nfs/dbraw/zinc/54/56/51/452545651.db2.gz IFBPJFGDEJVHNR-UJMXGEILSA-N 2 3 347.503 1.278 20 0 EDADHP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652363572 452545659 /nfs/dbraw/zinc/54/56/59/452545659.db2.gz IFBPJFGDEJVHNR-UJMXGEILSA-N 2 3 347.503 1.278 20 0 EDADHP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@@H](N)c2ccccc2)C[C@H]1C[NH+](C)C ZINC000892031477 590760314 /nfs/dbraw/zinc/76/03/14/590760314.db2.gz WTRHOSMFWYWQKO-KZNAEPCWSA-N 2 3 347.507 1.067 20 0 EDADHP c1nnn([C@@H]2CCC[NH2+]C2)c1CN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000903933880 592386223 /nfs/dbraw/zinc/38/62/23/592386223.db2.gz XOWVHSQDEYVZPT-IAGOWNOFSA-N 2 3 332.496 1.414 20 0 EDADHP C[NH+](C)C[C@@H]1CN(C(=O)C2CCN(C3CC3)CC2)C[C@H]1C[NH+](C)C ZINC000870019210 596710738 /nfs/dbraw/zinc/71/07/38/596710738.db2.gz UMXPVMAKUXROJZ-IAGOWNOFSA-N 2 3 336.524 1.059 20 0 EDADHP CC(C)[NH+]1CCC(O)(C[NH2+]C2CCN(c3ccncc3)CC2)CC1 ZINC000297695727 444319592 /nfs/dbraw/zinc/31/95/92/444319592.db2.gz QBOYZBBFJAPIGZ-UHFFFAOYSA-N 2 3 332.492 1.875 20 0 EDADHP CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000418323386 446497767 /nfs/dbraw/zinc/49/77/67/446497767.db2.gz UTENYIRWHALUBV-IRXDYDNUSA-N 2 3 339.528 1.044 20 0 EDADHP CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000418323386 446497775 /nfs/dbraw/zinc/49/77/75/446497775.db2.gz UTENYIRWHALUBV-IRXDYDNUSA-N 2 3 339.528 1.044 20 0 EDADHP NCC(=O)N1CCC[C@H](C[NH+]2CCC([C@@H]3CCC[NH2+]CC3)CC2)C1 ZINC000904417002 592252315 /nfs/dbraw/zinc/25/23/15/592252315.db2.gz WMFNUNPJUSZCGH-IAGOWNOFSA-N 2 3 336.524 1.285 20 0 EDADHP CC[NH+](CC)CC1CCN(C[C@H](C[NH3+])Cc2cnn(C)c2C)CC1 ZINC000903905449 592373176 /nfs/dbraw/zinc/37/31/76/592373176.db2.gz GCSHAJXFOJVBSX-SFHVURJKSA-N 2 3 335.540 1.900 20 0 EDADHP C[C@@H](O)C[NH+]1CCC(CN(C)C[C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000424303686 252194350 /nfs/dbraw/zinc/19/43/50/252194350.db2.gz OQDWMJMBEIDZSO-CRAIPNDOSA-N 2 3 337.483 1.893 20 0 EDADHP C[C@@H]1CC[C@@H](C)N1CC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000355408145 150257269 /nfs/dbraw/zinc/25/72/69/150257269.db2.gz IIVZRTMKFLATNU-IAGOWNOFSA-N 2 3 326.529 1.591 20 0 EDADHP COC[C@@H](CCC[NH3+])[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397498226 319134536 /nfs/dbraw/zinc/13/45/36/319134536.db2.gz DEBREHYETPPXEH-GOSISDBHSA-N 2 3 335.492 1.357 20 0 EDADHP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000418402532 446530718 /nfs/dbraw/zinc/53/07/18/446530718.db2.gz HPZDSMRQFZXPTJ-ZACQAIPSSA-N 2 3 339.528 1.171 20 0 EDADHP CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000418402532 446530722 /nfs/dbraw/zinc/53/07/22/446530722.db2.gz HPZDSMRQFZXPTJ-ZACQAIPSSA-N 2 3 339.528 1.171 20 0 EDADHP CC[NH+]1CCC(NC(=O)CN2CCC[C@@H](C3CC[NH2+]CC3)C2)CC1 ZINC000662292189 453013832 /nfs/dbraw/zinc/01/38/32/453013832.db2.gz CATDCFGSTQFHNF-QGZVFWFLSA-N 2 3 336.524 1.299 20 0 EDADHP c1c(N2CCNCC2)n[nH]c1[C@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000662338749 453056818 /nfs/dbraw/zinc/05/68/18/453056818.db2.gz VJQBUVQYFIOYAE-KRWDZBQOSA-N 2 3 346.523 1.388 20 0 EDADHP c1c(N2CCNCC2)n[nH]c1[C@H]1CCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000662338749 453056819 /nfs/dbraw/zinc/05/68/19/453056819.db2.gz VJQBUVQYFIOYAE-KRWDZBQOSA-N 2 3 346.523 1.388 20 0 EDADHP O[C@@H]1CCN(Cc2ccc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)cc2)C1 ZINC000665240904 453620891 /nfs/dbraw/zinc/62/08/91/453620891.db2.gz VSNXRZILVRCLFZ-MTQWCTHYSA-N 2 3 329.488 1.731 20 0 EDADHP C[NH+]1CCC(N2CCC(NC(=O)N[C@@]34CCC[C@@H]3[NH2+]CC4)CC2)CC1 ZINC000891462006 591080392 /nfs/dbraw/zinc/08/03/92/591080392.db2.gz PLAOBNLILUMVDZ-PKOBYXMFSA-N 2 3 349.523 1.129 20 0 EDADHP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000418548269 446588942 /nfs/dbraw/zinc/58/89/42/446588942.db2.gz ZEMTULRAJDOBFZ-GVDBMIGSSA-N 2 3 339.528 1.184 20 0 EDADHP CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000418548269 446588952 /nfs/dbraw/zinc/58/89/52/446588952.db2.gz ZEMTULRAJDOBFZ-GVDBMIGSSA-N 2 3 339.528 1.184 20 0 EDADHP CC[NH+]1CCC(N2CCC(C(=O)N3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)CC2)CC1 ZINC000568210320 448838187 /nfs/dbraw/zinc/83/81/87/448838187.db2.gz VAPXTEJXLUZPQO-HDICACEKSA-N 2 3 348.535 1.203 20 0 EDADHP CC[NH+]1CCC(N2CCC(C(=O)N3C[C@@H]4C[N@H+](C)C[C@@H]4C3)CC2)CC1 ZINC000568210320 448838192 /nfs/dbraw/zinc/83/81/92/448838192.db2.gz VAPXTEJXLUZPQO-HDICACEKSA-N 2 3 348.535 1.203 20 0 EDADHP CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=S)NCCC[NH+](C)C ZINC000751012531 579791418 /nfs/dbraw/zinc/79/14/18/579791418.db2.gz VQLTYOWWFXACKY-INIZCTEOSA-N 2 3 343.585 1.161 20 0 EDADHP CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=S)NCCC[NH+](C)C ZINC000751012531 579791420 /nfs/dbraw/zinc/79/14/20/579791420.db2.gz VQLTYOWWFXACKY-INIZCTEOSA-N 2 3 343.585 1.161 20 0 EDADHP C[C@@H]1C[NH2+]C[C@H]1CN(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000903446002 592172981 /nfs/dbraw/zinc/17/29/81/592172981.db2.gz QVIKHOFQXBVNFC-MJGOQNOKSA-N 2 3 336.568 1.970 20 0 EDADHP Cc1c(C[C@H](C[NH3+])CN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cnn1C ZINC000903929076 592382418 /nfs/dbraw/zinc/38/24/18/592382418.db2.gz AEBLRLAEUAOIEH-MNEFBYGVSA-N 2 3 349.523 1.064 20 0 EDADHP c1c(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)sc2c1CNCC2 ZINC000873213047 597229677 /nfs/dbraw/zinc/22/96/77/597229677.db2.gz VPRGQONJFGNMJX-MRXNPFEDSA-N 2 3 335.517 1.984 20 0 EDADHP CC[NH+]1CCC(CCNC(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC000520681325 305781940 /nfs/dbraw/zinc/78/19/40/305781940.db2.gz MSJGJQIBLQODTB-UHFFFAOYSA-N 2 3 341.544 1.243 20 0 EDADHP C[C@@H]1CC[NH2+]CC[C@H]1NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000567226799 448642373 /nfs/dbraw/zinc/64/23/73/448642373.db2.gz FFLHQOJVNPHOEL-IEBWSBKVSA-N 2 3 330.520 1.958 20 0 EDADHP CC[NH+]1CCC(N2CCC(C(=O)N3C[C@H]4[C@@H](C3)[C@@H]4[NH+](C)C)CC2)CC1 ZINC000627655635 450871360 /nfs/dbraw/zinc/87/13/60/450871360.db2.gz ZMLKQDHGPYPVMJ-BWTSREIZSA-N 2 3 348.535 1.201 20 0 EDADHP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000634260798 451254240 /nfs/dbraw/zinc/25/42/40/451254240.db2.gz WDURHUVFEMPENL-IAGOWNOFSA-N 2 3 339.528 1.186 20 0 EDADHP CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000634260798 451254243 /nfs/dbraw/zinc/25/42/43/451254243.db2.gz WDURHUVFEMPENL-IAGOWNOFSA-N 2 3 339.528 1.186 20 0 EDADHP C[NH+](C)CCN1CCC(C[NH2+]C2CCN([C@H]3CCOC3)CC2)CC1 ZINC000655717248 452535439 /nfs/dbraw/zinc/53/54/39/452535439.db2.gz YYTWXRHIGKCFLU-IBGZPJMESA-N 2 3 338.540 1.103 20 0 EDADHP C[NH+](C)C[C@@H]1CN(C(=O)Nc2ccc3c(c2)CNC3)C[C@H]1C[NH+](C)C ZINC000868167292 596708115 /nfs/dbraw/zinc/70/81/15/596708115.db2.gz JIICXFDGMADBKF-IAGOWNOFSA-N 2 3 345.491 1.493 20 0 EDADHP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000418382576 285244312 /nfs/dbraw/zinc/24/43/12/285244312.db2.gz MJNJONSQVNFTEG-HZPDHXFCSA-N 2 3 327.517 1.027 20 0 EDADHP CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000418382576 285244313 /nfs/dbraw/zinc/24/43/13/285244313.db2.gz MJNJONSQVNFTEG-HZPDHXFCSA-N 2 3 327.517 1.027 20 0 EDADHP [NH3+]CC1CCC([NH2+]CCCN2CCN(c3ccncc3)CC2)CC1 ZINC000422847313 447768304 /nfs/dbraw/zinc/76/83/04/447768304.db2.gz RCUSYFZQTAYGQL-UHFFFAOYSA-N 2 3 331.508 1.701 20 0 EDADHP C[NH2+]CCCC(=O)N1CCC(N[C@H](C)C[C@H]2CCCCC[NH2+]2)CC1 ZINC000663505337 453811971 /nfs/dbraw/zinc/81/19/71/453811971.db2.gz IBRLHAXCJFMNPD-SJLPKXTDSA-N 2 3 338.540 1.877 20 0 EDADHP c1cc(N2CC[NH2+]CC2)oc1CN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000904380856 592246563 /nfs/dbraw/zinc/24/65/63/592246563.db2.gz ISAVKOHWTFVJLJ-KRWDZBQOSA-N 2 3 348.491 1.280 20 0 EDADHP CCCN1CCN(c2ccccc2C[NH2+]CCN2CC[NH2+]CC2)CC1 ZINC000414861904 283350207 /nfs/dbraw/zinc/35/02/07/283350207.db2.gz GOMVSMUQTIHFEG-UHFFFAOYSA-N 2 3 345.535 1.213 20 0 EDADHP c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]CCCN4CC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000414777146 319343786 /nfs/dbraw/zinc/34/37/86/319343786.db2.gz GMBNOMJXVWNGCF-HBMCJLEFSA-N 2 3 342.531 1.782 20 0 EDADHP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000359220569 446051289 /nfs/dbraw/zinc/05/12/89/446051289.db2.gz FMUKKYUAEDJULJ-MRXNPFEDSA-N 2 3 339.528 1.138 20 0 EDADHP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CCNCC(C)(C)C2)CC[NH2+]CC1 ZINC000602022075 449281104 /nfs/dbraw/zinc/28/11/04/449281104.db2.gz TYNRNUNVNAALAF-GJZGRUSLSA-N 2 3 325.497 1.676 20 0 EDADHP CCOC(=O)C1([C@H](C)N[C@H]2CC[NH2+]CC(C)(C)C2)CC[NH2+]CC1 ZINC000602022075 449281109 /nfs/dbraw/zinc/28/11/09/449281109.db2.gz TYNRNUNVNAALAF-GJZGRUSLSA-N 2 3 325.497 1.676 20 0 EDADHP C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000663680270 452416685 /nfs/dbraw/zinc/41/66/85/452416685.db2.gz DXNILOGINFWCCE-YESZJQIVSA-N 2 3 339.528 1.184 20 0 EDADHP C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000663680270 452416693 /nfs/dbraw/zinc/41/66/93/452416693.db2.gz DXNILOGINFWCCE-YESZJQIVSA-N 2 3 339.528 1.184 20 0 EDADHP C[C@@H](C[NH+](C)CCCN(C)C)NC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000663680270 452416702 /nfs/dbraw/zinc/41/67/02/452416702.db2.gz DXNILOGINFWCCE-YESZJQIVSA-N 2 3 339.528 1.184 20 0 EDADHP C[C@@H](C[NH+](C)CCCN(C)C)NC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000663680270 452416710 /nfs/dbraw/zinc/41/67/10/452416710.db2.gz DXNILOGINFWCCE-YESZJQIVSA-N 2 3 339.528 1.184 20 0 EDADHP COCC[N@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)CC1CCN(C)CC1 ZINC000903775061 592318442 /nfs/dbraw/zinc/31/84/42/592318442.db2.gz GUITWFRUHBAEAV-ROUUACIJSA-N 2 3 325.497 1.045 20 0 EDADHP COCC[N@@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)CC1CCN(C)CC1 ZINC000903775061 592318448 /nfs/dbraw/zinc/31/84/48/592318448.db2.gz GUITWFRUHBAEAV-ROUUACIJSA-N 2 3 325.497 1.045 20 0 EDADHP CC1([NH+]2CCCC2)CCC([NH2+]C[C@@H]2CCCN(C(=O)CN)C2)CC1 ZINC000903986454 592406487 /nfs/dbraw/zinc/40/64/87/592406487.db2.gz JYGXNYHVTUGHKE-MUYFXNHWSA-N 2 3 336.524 1.570 20 0 EDADHP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)CC1 ZINC000261966100 139240456 /nfs/dbraw/zinc/24/04/56/139240456.db2.gz QBBOVHFGAAASAQ-GUDVDZBRSA-N 2 3 338.540 1.007 20 0 EDADHP O=C(CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000565046755 321166794 /nfs/dbraw/zinc/16/67/94/321166794.db2.gz SFIMFNUIOLIFPP-JKSUJKDBSA-N 2 3 334.508 1.051 20 0 EDADHP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000627166367 451160161 /nfs/dbraw/zinc/16/01/61/451160161.db2.gz CRGKCWKQGWPILA-YESZJQIVSA-N 2 3 339.528 1.184 20 0 EDADHP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000627166367 451160168 /nfs/dbraw/zinc/16/01/68/451160168.db2.gz CRGKCWKQGWPILA-YESZJQIVSA-N 2 3 339.528 1.184 20 0 EDADHP CC[NH+]1CCC(NC(=O)CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000649417986 452080073 /nfs/dbraw/zinc/08/00/73/452080073.db2.gz SZZPVPDOHLHLBZ-IAGOWNOFSA-N 2 3 336.524 1.299 20 0 EDADHP c1cc(N2CCN(CCC[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)CC2)ccn1 ZINC000647789027 452522105 /nfs/dbraw/zinc/52/21/05/452522105.db2.gz XABYZVZLBDLCLT-GBESFXJTSA-N 2 3 343.519 1.571 20 0 EDADHP CN1CCC([N@@H+]2CC[C@@H](NC3C[C@H]4CC[C@@H](C3)[NH+]4C3CC3)C2)CC1 ZINC000903097148 592123045 /nfs/dbraw/zinc/12/30/45/592123045.db2.gz PPIHMVWJFHPKCC-SYKANANRSA-N 2 3 332.536 1.902 20 0 EDADHP CN1CCC([N@H+]2CC[C@@H](NC3C[C@H]4CC[C@@H](C3)[NH+]4C3CC3)C2)CC1 ZINC000903097148 592123047 /nfs/dbraw/zinc/12/30/47/592123047.db2.gz PPIHMVWJFHPKCC-SYKANANRSA-N 2 3 332.536 1.902 20 0 EDADHP CN1CCC([NH+]2CC[C@@H](NC3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)C2)CC1 ZINC000903097148 592123048 /nfs/dbraw/zinc/12/30/48/592123048.db2.gz PPIHMVWJFHPKCC-SYKANANRSA-N 2 3 332.536 1.902 20 0 EDADHP CN1CCC([NH+]2CC[C@@H](NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)C2)CC1 ZINC000903097148 592123049 /nfs/dbraw/zinc/12/30/49/592123049.db2.gz PPIHMVWJFHPKCC-SYKANANRSA-N 2 3 332.536 1.902 20 0 EDADHP C[NH+]1CCC(N2CC[C@@H](NC3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)C2)CC1 ZINC000903097148 592123051 /nfs/dbraw/zinc/12/30/51/592123051.db2.gz PPIHMVWJFHPKCC-SYKANANRSA-N 2 3 332.536 1.902 20 0 EDADHP C[NH+]1CCC(N2CC[C@@H](NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)C2)CC1 ZINC000903097148 592123053 /nfs/dbraw/zinc/12/30/53/592123053.db2.gz PPIHMVWJFHPKCC-SYKANANRSA-N 2 3 332.536 1.902 20 0 EDADHP NCC(=O)N1CCC[C@H](C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)C1 ZINC000904459035 592265801 /nfs/dbraw/zinc/26/58/01/592265801.db2.gz MXLZDXQAMSWXLI-QGZVFWFLSA-N 2 3 344.503 1.176 20 0 EDADHP CC[NH+]1CCC(N2CCC(C(=O)N(C)CCC[NH+](C)C)CC2)CC1 ZINC000582250661 449048532 /nfs/dbraw/zinc/04/85/32/449048532.db2.gz YPFMRFWFCNFDNG-UHFFFAOYSA-N 2 3 338.540 1.593 20 0 EDADHP CN(C)C[C@@H]1CC[N@H+](CC2(CN3CC[C@@H](C[NH+](C)C)C3)CCC2)C1 ZINC000647971192 452715285 /nfs/dbraw/zinc/71/52/85/452715285.db2.gz YAWHUVLZFTWRAB-OALUTQOASA-N 2 3 336.568 1.924 20 0 EDADHP CN(C)C[C@@H]1CC[N@@H+](CC2(CN3CC[C@@H](C[NH+](C)C)C3)CCC2)C1 ZINC000647971192 452715292 /nfs/dbraw/zinc/71/52/92/452715292.db2.gz YAWHUVLZFTWRAB-OALUTQOASA-N 2 3 336.568 1.924 20 0 EDADHP C[NH+](C)C[C@@H]1CN(C(=O)C[C@@H](N)c2ccccc2)C[C@H]1C[NH+](C)C ZINC000877143937 597442010 /nfs/dbraw/zinc/44/20/10/597442010.db2.gz YZZZDWAHOVWQOA-KZNAEPCWSA-N 2 3 332.492 1.274 20 0 EDADHP C[C@H]1CN(CCC2CC[NH+](CCN3CC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000566302675 321225811 /nfs/dbraw/zinc/22/58/11/321225811.db2.gz HEMUCUMFOGLUFL-ROUUACIJSA-N 2 3 338.540 1.103 20 0 EDADHP C[C@H]1C[C@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CCN1C ZINC000341201641 444725465 /nfs/dbraw/zinc/72/54/65/444725465.db2.gz LTOLYFWYUYGRCY-DLBZAZTESA-N 2 3 341.544 1.384 20 0 EDADHP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000418556083 446592164 /nfs/dbraw/zinc/59/21/64/446592164.db2.gz DZYFGEADTAMXKV-IAGOWNOFSA-N 2 3 339.528 1.186 20 0 EDADHP CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000418556083 446592173 /nfs/dbraw/zinc/59/21/73/446592173.db2.gz DZYFGEADTAMXKV-IAGOWNOFSA-N 2 3 339.528 1.186 20 0 EDADHP N[C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530238718 449090713 /nfs/dbraw/zinc/09/07/13/449090713.db2.gz BARSFMYQJMHCJJ-AABGKKOBSA-N 2 3 347.503 1.008 20 0 EDADHP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530238718 449090718 /nfs/dbraw/zinc/09/07/18/449090718.db2.gz BARSFMYQJMHCJJ-AABGKKOBSA-N 2 3 347.503 1.008 20 0 EDADHP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000353422347 535290035 /nfs/dbraw/zinc/29/00/35/535290035.db2.gz BIWBRISJJKLTLT-MSOLQXFVSA-N 2 3 336.524 1.295 20 0 EDADHP C[NH+](C)C[C@@H]1CN(C(=O)C[C@H]2NCc3ccccc32)C[C@H]1C[NH+](C)C ZINC000877144492 597442803 /nfs/dbraw/zinc/44/28/03/597442803.db2.gz NZMUVJSWVLUGQC-ZHALLVOQSA-N 2 3 344.503 1.419 20 0 EDADHP CN(c1ccccc1CN1CCC(O)(C[NH3+])CC1)C1CC[NH+](C)CC1 ZINC000415143087 304163967 /nfs/dbraw/zinc/16/39/67/304163967.db2.gz RGUWEGKHSGVUIP-UHFFFAOYSA-N 2 3 346.519 1.503 20 0 EDADHP C[NH+](C)CCNC(=O)c1cccc(CN[C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000422904553 252018211 /nfs/dbraw/zinc/01/82/11/252018211.db2.gz GYDXROCOAMRYQB-MSOLQXFVSA-N 2 3 332.492 1.585 20 0 EDADHP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CN[C@@H]3CCC[C@H]3C[NH3+])c2)C1 ZINC000422886882 295257299 /nfs/dbraw/zinc/25/72/99/295257299.db2.gz JWEJQTLNVCLWOL-IPMKNSEASA-N 2 3 344.503 1.601 20 0 EDADHP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CN[C@@H]3CCC[C@H]3C[NH3+])c2)C1 ZINC000422886882 295257301 /nfs/dbraw/zinc/25/73/01/295257301.db2.gz JWEJQTLNVCLWOL-IPMKNSEASA-N 2 3 344.503 1.601 20 0 EDADHP C[C@@H]1C[C@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CCN1C ZINC000341201643 444725635 /nfs/dbraw/zinc/72/56/35/444725635.db2.gz LTOLYFWYUYGRCY-IAGOWNOFSA-N 2 3 341.544 1.384 20 0 EDADHP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000634260797 451254821 /nfs/dbraw/zinc/25/48/21/451254821.db2.gz WDURHUVFEMPENL-DLBZAZTESA-N 2 3 339.528 1.186 20 0 EDADHP CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000634260797 451254827 /nfs/dbraw/zinc/25/48/27/451254827.db2.gz WDURHUVFEMPENL-DLBZAZTESA-N 2 3 339.528 1.186 20 0 EDADHP CC(C)CC[NH+]1CCC(C[NH2+]C[C@@H]2CCCN(C(=O)CN)C2)CC1 ZINC000415080321 304158154 /nfs/dbraw/zinc/15/81/54/304158154.db2.gz JISPLHOHRVFRGZ-SFHVURJKSA-N 2 3 338.540 1.531 20 0 EDADHP CCN1CC[NH+](CCCC[NH2+][C@@H](Cc2ccccc2)[C@@H](C)N)CC1 ZINC000422860861 252003156 /nfs/dbraw/zinc/00/31/56/252003156.db2.gz LYHQCSSDQRRYPF-QUCCMNQESA-N 2 3 332.536 1.952 20 0 EDADHP CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000418716556 285278291 /nfs/dbraw/zinc/27/82/91/285278291.db2.gz SDTWLFSOWGBMDK-KBPBESRZSA-N 2 3 349.470 1.026 20 0 EDADHP CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000418716556 285278296 /nfs/dbraw/zinc/27/82/96/285278296.db2.gz SDTWLFSOWGBMDK-KBPBESRZSA-N 2 3 349.470 1.026 20 0 EDADHP C[NH+](C)C[C@@H](NC(=O)CCCN1CCC([NH3+])CC1)c1ccccc1 ZINC000433161780 305102073 /nfs/dbraw/zinc/10/20/73/305102073.db2.gz YJKAKAAYZDNCSC-GOSISDBHSA-N 2 3 332.492 1.609 20 0 EDADHP N[C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000580075525 322006399 /nfs/dbraw/zinc/00/63/99/322006399.db2.gz HAWIFQLXWRPRRM-FYQPLNBISA-N 2 3 347.503 1.136 20 0 EDADHP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000580075525 322006402 /nfs/dbraw/zinc/00/64/02/322006402.db2.gz HAWIFQLXWRPRRM-FYQPLNBISA-N 2 3 347.503 1.136 20 0 EDADHP CN(C)[C@@H](CNC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccccc1 ZINC000420334059 446504213 /nfs/dbraw/zinc/50/42/13/446504213.db2.gz KZTQMNROMWFQDS-OTWHNJEPSA-N 2 3 344.503 1.337 20 0 EDADHP CN(C)[C@@H](CNC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccccc1 ZINC000420334059 446504217 /nfs/dbraw/zinc/50/42/17/446504217.db2.gz KZTQMNROMWFQDS-OTWHNJEPSA-N 2 3 344.503 1.337 20 0 EDADHP C[NH2+]C[C@@](C)(O)CN1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662327516 453045486 /nfs/dbraw/zinc/04/54/86/453045486.db2.gz QGDOUEJKCJDKSW-GOSISDBHSA-N 2 3 335.496 1.027 20 0 EDADHP COCC[N@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)CC1CCN(C)CC1 ZINC000903775062 592318160 /nfs/dbraw/zinc/31/81/60/592318160.db2.gz GUITWFRUHBAEAV-ZWKOTPCHSA-N 2 3 325.497 1.045 20 0 EDADHP COCC[N@@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)CC1CCN(C)CC1 ZINC000903775062 592318166 /nfs/dbraw/zinc/31/81/66/592318166.db2.gz GUITWFRUHBAEAV-ZWKOTPCHSA-N 2 3 325.497 1.045 20 0 EDADHP FC(F)(F)[C@H](CNCc1cccc2c1CC[NH2+]C2)N1CC[NH2+]CC1 ZINC000903919587 592377444 /nfs/dbraw/zinc/37/74/44/592377444.db2.gz OMNQTQGLZRDSJO-INIZCTEOSA-N 2 3 342.409 1.258 20 0 EDADHP Cc1c(C[C@H](C[NH3+])CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cnn1C ZINC000903917498 592390390 /nfs/dbraw/zinc/39/03/90/592390390.db2.gz MNOXBSBZMQEGCB-KURKYZTESA-N 2 3 333.524 1.558 20 0 EDADHP Cc1c(C[C@H](CN)C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cnn1C ZINC000903917498 592390396 /nfs/dbraw/zinc/39/03/96/592390396.db2.gz MNOXBSBZMQEGCB-KURKYZTESA-N 2 3 333.524 1.558 20 0 EDADHP Cc1c(C[C@H](CN)C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cnn1C ZINC000903917498 592390403 /nfs/dbraw/zinc/39/04/03/592390403.db2.gz MNOXBSBZMQEGCB-KURKYZTESA-N 2 3 333.524 1.558 20 0 EDADHP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC([NH3+])(CC)CC ZINC000418436567 251370449 /nfs/dbraw/zinc/37/04/49/251370449.db2.gz IQALXAINAHQDPT-MRXNPFEDSA-N 2 3 341.544 1.561 20 0 EDADHP CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC([NH3+])(CC)CC ZINC000418436567 251370451 /nfs/dbraw/zinc/37/04/51/251370451.db2.gz IQALXAINAHQDPT-MRXNPFEDSA-N 2 3 341.544 1.561 20 0 EDADHP c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]CCN4CC[NH2+]CC4)[C@H]3C2)cc1 ZINC000414869577 447336730 /nfs/dbraw/zinc/33/67/30/447336730.db2.gz RKLRXDJABRADJZ-UFYCRDLUSA-N 2 3 328.504 1.392 20 0 EDADHP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](NCCN4CC[NH2+]CC4)[C@H]3C2)cc1 ZINC000414869577 447336735 /nfs/dbraw/zinc/33/67/35/447336735.db2.gz RKLRXDJABRADJZ-UFYCRDLUSA-N 2 3 328.504 1.392 20 0 EDADHP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](NCCN4CC[NH2+]CC4)[C@H]3C2)cc1 ZINC000414869577 447336739 /nfs/dbraw/zinc/33/67/39/447336739.db2.gz RKLRXDJABRADJZ-UFYCRDLUSA-N 2 3 328.504 1.392 20 0 EDADHP O=C(CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000565046753 321166805 /nfs/dbraw/zinc/16/68/05/321166805.db2.gz SFIMFNUIOLIFPP-HZPDHXFCSA-N 2 3 334.508 1.051 20 0 EDADHP CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC1CCC([NH3+])CC1 ZINC000418402705 446530760 /nfs/dbraw/zinc/53/07/60/446530760.db2.gz OJZLUUNZVRMQLL-JCYILVPMSA-N 2 3 339.528 1.314 20 0 EDADHP CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC1CCC([NH3+])CC1 ZINC000418402705 446530766 /nfs/dbraw/zinc/53/07/66/446530766.db2.gz OJZLUUNZVRMQLL-JCYILVPMSA-N 2 3 339.528 1.314 20 0 EDADHP C[C@H]([NH3+])c1ccc(CNC(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000638762284 451682491 /nfs/dbraw/zinc/68/24/91/451682491.db2.gz DKPBGILZDMHTKG-HNNXBMFYSA-N 2 3 335.496 1.341 20 0 EDADHP C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000663680268 452417183 /nfs/dbraw/zinc/41/71/83/452417183.db2.gz DXNILOGINFWCCE-ULQDDVLXSA-N 2 3 339.528 1.184 20 0 EDADHP C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000663680268 452417185 /nfs/dbraw/zinc/41/71/85/452417185.db2.gz DXNILOGINFWCCE-ULQDDVLXSA-N 2 3 339.528 1.184 20 0 EDADHP C[C@@H](C[NH+](C)CCCN(C)C)NC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000663680268 452417189 /nfs/dbraw/zinc/41/71/89/452417189.db2.gz DXNILOGINFWCCE-ULQDDVLXSA-N 2 3 339.528 1.184 20 0 EDADHP C[C@@H](C[NH+](C)CCCN(C)C)NC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000663680268 452417193 /nfs/dbraw/zinc/41/71/93/452417193.db2.gz DXNILOGINFWCCE-ULQDDVLXSA-N 2 3 339.528 1.184 20 0 EDADHP Cc1c(C[C@H](C[NH3+])CN2CCC([C@@H]3CCC[NH2+]CC3)CC2)cnn1C ZINC000904416975 592253043 /nfs/dbraw/zinc/25/30/43/592253043.db2.gz VQTCZPLVKFGHTB-QZTJIDSGSA-N 2 3 347.551 1.948 20 0 EDADHP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000876740440 597315822 /nfs/dbraw/zinc/31/58/22/597315822.db2.gz DKILRPJPRGMDCX-DRJMZUFCSA-N 2 3 334.508 1.073 20 0 EDADHP O=C(CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000565046749 321166768 /nfs/dbraw/zinc/16/67/68/321166768.db2.gz SFIMFNUIOLIFPP-HOTGVXAUSA-N 2 3 334.508 1.051 20 0 EDADHP CN1CCC([N@@H+]2CC[C@H](NC3C[C@H]4CC[C@@H](C3)[NH+]4C3CC3)C2)CC1 ZINC000903097147 592122953 /nfs/dbraw/zinc/12/29/53/592122953.db2.gz PPIHMVWJFHPKCC-HUBHPDRSSA-N 2 3 332.536 1.902 20 0 EDADHP CN1CCC([N@H+]2CC[C@H](NC3C[C@H]4CC[C@@H](C3)[NH+]4C3CC3)C2)CC1 ZINC000903097147 592122955 /nfs/dbraw/zinc/12/29/55/592122955.db2.gz PPIHMVWJFHPKCC-HUBHPDRSSA-N 2 3 332.536 1.902 20 0 EDADHP CN1CCC([NH+]2CC[C@H](NC3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)C2)CC1 ZINC000903097147 592122956 /nfs/dbraw/zinc/12/29/56/592122956.db2.gz PPIHMVWJFHPKCC-HUBHPDRSSA-N 2 3 332.536 1.902 20 0 EDADHP CN1CCC([NH+]2CC[C@H](NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)C2)CC1 ZINC000903097147 592122959 /nfs/dbraw/zinc/12/29/59/592122959.db2.gz PPIHMVWJFHPKCC-HUBHPDRSSA-N 2 3 332.536 1.902 20 0 EDADHP C[NH+]1CCC(N2CC[C@H](NC3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)C2)CC1 ZINC000903097147 592122962 /nfs/dbraw/zinc/12/29/62/592122962.db2.gz PPIHMVWJFHPKCC-HUBHPDRSSA-N 2 3 332.536 1.902 20 0 EDADHP C[NH+]1CCC(N2CC[C@H](NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)C2)CC1 ZINC000903097147 592122964 /nfs/dbraw/zinc/12/29/64/592122964.db2.gz PPIHMVWJFHPKCC-HUBHPDRSSA-N 2 3 332.536 1.902 20 0 EDADHP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@@H](c3cc(N4CCNCC4)n[nH]3)C2)C1 ZINC000903464456 592171789 /nfs/dbraw/zinc/17/17/89/592171789.db2.gz OCTMTTFJZHJWGT-ARFHVFGLSA-N 2 3 332.496 1.126 20 0 EDADHP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@@H](c3cc(N4CCNCC4)n[nH]3)C2)C1 ZINC000903464456 592171790 /nfs/dbraw/zinc/17/17/90/592171790.db2.gz OCTMTTFJZHJWGT-ARFHVFGLSA-N 2 3 332.496 1.126 20 0 EDADHP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2Cc2ccc(N3CC[NH2+]CC3)o2)C1 ZINC000904376957 592244876 /nfs/dbraw/zinc/24/48/76/592244876.db2.gz ZEZHJRBYBAMSGY-NJAFHUGGSA-N 2 3 348.491 1.550 20 0 EDADHP CCN1CCC[C@H]1CNC(=[NH2+])NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000849104034 595482221 /nfs/dbraw/zinc/48/22/21/595482221.db2.gz JRDGWPFGPTUPTR-HOTGVXAUSA-N 2 3 325.501 1.086 20 0 EDADHP CCN1CCC[C@H]1CNC(=[NH2+])NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000849104034 595482223 /nfs/dbraw/zinc/48/22/23/595482223.db2.gz JRDGWPFGPTUPTR-HOTGVXAUSA-N 2 3 325.501 1.086 20 0 EDADHP CC[C@@H](C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)N(CC)CC ZINC000870021302 596711942 /nfs/dbraw/zinc/71/19/42/596711942.db2.gz MYHFKODGKNYOPK-ZACQAIPSSA-N 2 3 326.529 1.305 20 0 EDADHP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000154740083 442354188 /nfs/dbraw/zinc/35/41/88/442354188.db2.gz FANLOZVGYRJNQD-QGZVFWFLSA-N 2 3 341.544 1.242 20 0 EDADHP CC(C)[N@H+]1CCC[C@H](CNC(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000154740083 442354191 /nfs/dbraw/zinc/35/41/91/442354191.db2.gz FANLOZVGYRJNQD-QGZVFWFLSA-N 2 3 341.544 1.242 20 0 EDADHP C[NH+](C)CCOc1ccccc1N1CCN(CC[C@@H]2CC[NH2+]C2)CC1 ZINC000578445835 321776144 /nfs/dbraw/zinc/77/61/44/321776144.db2.gz VBQYKIGHGOAGCJ-SFHVURJKSA-N 2 3 346.519 1.749 20 0 EDADHP CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC1CC[NH2+]CC1 ZINC000579691609 448854198 /nfs/dbraw/zinc/85/41/98/448854198.db2.gz UXJCTXBCDHRXMI-KRWDZBQOSA-N 2 3 339.528 1.044 20 0 EDADHP CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC1CC[NH2+]CC1 ZINC000579691609 448854204 /nfs/dbraw/zinc/85/42/04/448854204.db2.gz UXJCTXBCDHRXMI-KRWDZBQOSA-N 2 3 339.528 1.044 20 0 EDADHP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627198492 451181837 /nfs/dbraw/zinc/18/18/37/451181837.db2.gz LODNXBISPMXTTL-IXDOHACOSA-N 2 3 339.528 1.184 20 0 EDADHP CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627198492 451181841 /nfs/dbraw/zinc/18/18/41/451181841.db2.gz LODNXBISPMXTTL-IXDOHACOSA-N 2 3 339.528 1.184 20 0 EDADHP C[NH2+]CCCC(=O)N1CCC(N[C@@H](C)C[C@H]2CCCCC[NH2+]2)CC1 ZINC000663505336 453812227 /nfs/dbraw/zinc/81/22/27/453812227.db2.gz IBRLHAXCJFMNPD-FUHWJXTLSA-N 2 3 338.540 1.877 20 0 EDADHP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(Cc3ccc(N4CC[NH2+]CC4)o3)C2)C1 ZINC000904373423 592241458 /nfs/dbraw/zinc/24/14/58/592241458.db2.gz DOOCQLDHDWXNIO-LZLYRXPVSA-N 2 3 348.491 1.408 20 0 EDADHP C(C[NH+]1CCCC1)OC1CCN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903740065 592301714 /nfs/dbraw/zinc/30/17/14/592301714.db2.gz CKABHRPWEXUPEL-RBUKOAKNSA-N 2 3 337.508 1.332 20 0 EDADHP C[NH+]1CC[C@]2(CCN(C/C=C/CN3CC[C@@]4(CC[N@@H+](C)C4)C3)C2)C1 ZINC000366484700 446233619 /nfs/dbraw/zinc/23/36/19/446233619.db2.gz ULOQFKMEGDQFBO-IGVYDEPUSA-N 2 3 332.536 1.598 20 0 EDADHP C[NH+]1CC[C@]2(CCN(C/C=C/CN3CC[C@@]4(CC[N@H+](C)C4)C3)C2)C1 ZINC000366484700 446233622 /nfs/dbraw/zinc/23/36/22/446233622.db2.gz ULOQFKMEGDQFBO-IGVYDEPUSA-N 2 3 332.536 1.598 20 0 EDADHP C[NH+]1CC[C@@]2(CCN(C/C=C/CN3CC[C@]4(CC[N@H+](C)C4)C3)C2)C1 ZINC000366484700 446233624 /nfs/dbraw/zinc/23/36/24/446233624.db2.gz ULOQFKMEGDQFBO-IGVYDEPUSA-N 2 3 332.536 1.598 20 0 EDADHP C[NH+]1CC[C@@]2(CCN(C/C=C/CN3CC[C@]4(CC[N@@H+](C)C4)C3)C2)C1 ZINC000366484700 446233627 /nfs/dbraw/zinc/23/36/27/446233627.db2.gz ULOQFKMEGDQFBO-IGVYDEPUSA-N 2 3 332.536 1.598 20 0 EDADHP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@@H](c3cc(N4CCNCC4)n[nH]3)C2)CC[NH2+]1 ZINC000663512509 453813602 /nfs/dbraw/zinc/81/36/02/453813602.db2.gz NUMUHUPWEHETJE-IXDOHACOSA-N 2 3 346.523 1.387 20 0 EDADHP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H](c3cc(N4CCNCC4)n[nH]3)C2)CC[NH2+]1 ZINC000663512509 453813605 /nfs/dbraw/zinc/81/36/05/453813605.db2.gz NUMUHUPWEHETJE-IXDOHACOSA-N 2 3 346.523 1.387 20 0 EDADHP CN(C)[C@H](CNC(=O)C[N@H+](C)C1CCC([NH3+])CC1)c1ccccc1 ZINC000843355330 595085072 /nfs/dbraw/zinc/08/50/72/595085072.db2.gz RUJPEVYVIRSUQG-DAWZGUTISA-N 2 3 332.492 1.607 20 0 EDADHP CN(C)[C@H](CNC(=O)C[N@@H+](C)C1CCC([NH3+])CC1)c1ccccc1 ZINC000843355330 595085076 /nfs/dbraw/zinc/08/50/76/595085076.db2.gz RUJPEVYVIRSUQG-DAWZGUTISA-N 2 3 332.492 1.607 20 0 EDADHP COCCN(C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)CC1CC[NH+](C)CC1 ZINC000866673610 596288117 /nfs/dbraw/zinc/28/81/17/596288117.db2.gz YEURJLLUMJDTSE-PMACEKPBSA-N 2 3 349.519 1.208 20 0 EDADHP COC[C@H](CCC[NH3+])[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000422782199 293095933 /nfs/dbraw/zinc/09/59/33/293095933.db2.gz FYKRGDDEGIDCJB-KRWDZBQOSA-N 2 3 326.529 1.280 20 0 EDADHP CCOC(=O)C1([C@H](C)[NH2+]C[C@H](C)CN2CCCC2)CC[NH2+]CC1 ZINC000422723459 304879436 /nfs/dbraw/zinc/87/94/36/304879436.db2.gz RKTVORWJXGBFPF-HOTGVXAUSA-N 2 3 325.497 1.629 20 0 EDADHP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H](NCCN4CC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000423207931 446454129 /nfs/dbraw/zinc/45/41/29/446454129.db2.gz SMBFFHNNAWSZJS-PWRODBHTSA-N 2 3 342.531 1.782 20 0 EDADHP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H](NCCN4CC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000423207931 446454133 /nfs/dbraw/zinc/45/41/33/446454133.db2.gz SMBFFHNNAWSZJS-PWRODBHTSA-N 2 3 342.531 1.782 20 0 EDADHP Cc1ccc([C@H](CNC(=O)CCCN2CCC([NH3+])CC2)[NH+](C)C)cc1 ZINC000433163800 446541421 /nfs/dbraw/zinc/54/14/21/446541421.db2.gz PNVJKHCMOYCOCS-IBGZPJMESA-N 2 3 346.519 1.917 20 0 EDADHP CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000634260800 451254754 /nfs/dbraw/zinc/25/47/54/451254754.db2.gz WDURHUVFEMPENL-SJORKVTESA-N 2 3 339.528 1.186 20 0 EDADHP CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000634260800 451254759 /nfs/dbraw/zinc/25/47/59/451254759.db2.gz WDURHUVFEMPENL-SJORKVTESA-N 2 3 339.528 1.186 20 0 EDADHP CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659623455 452481231 /nfs/dbraw/zinc/48/12/31/452481231.db2.gz HKWMEPVFIIHDES-DLBZAZTESA-N 2 3 341.544 1.417 20 0 EDADHP CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659623455 452481239 /nfs/dbraw/zinc/48/12/39/452481239.db2.gz HKWMEPVFIIHDES-DLBZAZTESA-N 2 3 341.544 1.417 20 0 EDADHP CN1CCN(Cc2ccc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)cc2)CC1 ZINC000647786184 452520332 /nfs/dbraw/zinc/52/03/32/452520332.db2.gz JXANWNZICYCDAJ-PWRODBHTSA-N 2 3 342.531 1.912 20 0 EDADHP C[NH+]1CCC(N2CCC(NC(=O)N[C@@]34CCC[C@H]3[NH2+]CC4)CC2)CC1 ZINC000891462004 591080146 /nfs/dbraw/zinc/08/01/46/591080146.db2.gz PLAOBNLILUMVDZ-IEBWSBKVSA-N 2 3 349.523 1.129 20 0 EDADHP CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000904589973 592287781 /nfs/dbraw/zinc/28/77/81/592287781.db2.gz QSQNZJHLOOMMBG-UHFFFAOYSA-N 2 3 335.496 1.838 20 0 EDADHP c1ccc(CN2C[C@@H]3CC[C@@H]([NH2+]CCN4CC[NH2+]CC4)[C@H]3C2)cc1 ZINC000414869576 447335662 /nfs/dbraw/zinc/33/56/62/447335662.db2.gz RKLRXDJABRADJZ-SLFFLAALSA-N 2 3 328.504 1.392 20 0 EDADHP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](NCCN4CC[NH2+]CC4)[C@H]3C2)cc1 ZINC000414869576 447335667 /nfs/dbraw/zinc/33/56/67/447335667.db2.gz RKLRXDJABRADJZ-SLFFLAALSA-N 2 3 328.504 1.392 20 0 EDADHP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](NCCN4CC[NH2+]CC4)[C@H]3C2)cc1 ZINC000414869576 447335671 /nfs/dbraw/zinc/33/56/71/447335671.db2.gz RKLRXDJABRADJZ-SLFFLAALSA-N 2 3 328.504 1.392 20 0 EDADHP CN(CCN1CC[NH+](CC2CC[NH2+]CC2)CC1)Cc1ccccc1 ZINC000178980398 442544024 /nfs/dbraw/zinc/54/40/24/442544024.db2.gz GIAZMTGMQNLARX-UHFFFAOYSA-N 2 3 330.520 1.736 20 0 EDADHP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CNCc2ccccc21 ZINC000327247201 444381092 /nfs/dbraw/zinc/38/10/92/444381092.db2.gz NZNAFFQXYJXYOO-LJQANCHMSA-N 2 3 346.519 1.605 20 0 EDADHP CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000576403734 448046520 /nfs/dbraw/zinc/04/65/20/448046520.db2.gz XUSHWEHAZDRYSU-IAGOWNOFSA-N 2 3 336.524 1.297 20 0 EDADHP c1ccc([C@@H](CN2C[C@H]3C[NH2+]C[C@H]3C2)CN2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000639457487 451878006 /nfs/dbraw/zinc/87/80/06/451878006.db2.gz UBJRSQYOANKRPE-ALGQRKQJSA-N 2 3 340.515 1.073 20 0 EDADHP C[C@H]1CC[C@H](C)N1CC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000355408146 150257349 /nfs/dbraw/zinc/25/73/49/150257349.db2.gz IIVZRTMKFLATNU-IRXDYDNUSA-N 2 3 326.529 1.591 20 0 EDADHP FC(F)(F)[C@@H](CNCc1ccc2c(c1)C[NH2+]CC2)N1CC[NH2+]CC1 ZINC000656784483 453447184 /nfs/dbraw/zinc/44/71/84/453447184.db2.gz BEQGWVVLBAAFLO-MRXNPFEDSA-N 2 3 342.409 1.258 20 0 EDADHP c1cc2c(cc1CN1C[C@H]3CC[C@@H](C1)[N@H+]3C1CCNCC1)C[NH2+]CC2 ZINC000903506984 592198891 /nfs/dbraw/zinc/19/88/91/592198891.db2.gz HWAQMSMMARKGOT-OYRHEFFESA-N 2 3 340.515 1.733 20 0 EDADHP c1cc2c(cc1CN1C[C@H]3CC[C@@H](C1)[N@@H+]3C1CCNCC1)C[NH2+]CC2 ZINC000903506984 592198893 /nfs/dbraw/zinc/19/88/93/592198893.db2.gz HWAQMSMMARKGOT-OYRHEFFESA-N 2 3 340.515 1.733 20 0 EDADHP CN(C)CCOc1ccc(C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)cc1 ZINC000904392706 592242922 /nfs/dbraw/zinc/24/29/22/592242922.db2.gz XULSGQBCWIFSRJ-IBGZPJMESA-N 2 3 347.503 1.957 20 0 EDADHP Cc1c(C[C@H](CN)C[NH2+][C@@H]2CCCCC23CC[NH2+]CC3)cnn1C ZINC000903937417 592387685 /nfs/dbraw/zinc/38/76/85/592387685.db2.gz KNVUJQYNNYGTFZ-SJLPKXTDSA-N 2 3 333.524 1.748 20 0 EDADHP NC[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000576704475 448120631 /nfs/dbraw/zinc/12/06/31/448120631.db2.gz UMQHGMARHBZZDJ-UXHICEINSA-N 2 3 330.520 1.564 20 0 EDADHP NC[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000576704475 448120635 /nfs/dbraw/zinc/12/06/35/448120635.db2.gz UMQHGMARHBZZDJ-UXHICEINSA-N 2 3 330.520 1.564 20 0 EDADHP FC(F)(F)[C@H](CNCc1ccc2c(c1)C[NH2+]CC2)N1CC[NH2+]CC1 ZINC000656784471 453448177 /nfs/dbraw/zinc/44/81/77/453448177.db2.gz BEQGWVVLBAAFLO-INIZCTEOSA-N 2 3 342.409 1.258 20 0 EDADHP C[C@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)C1CC[NH+](C)CC1 ZINC000675794646 487444433 /nfs/dbraw/zinc/44/44/33/487444433.db2.gz FBQWZSNZKUIJNJ-SFHVURJKSA-N 2 3 345.535 1.914 20 0 EDADHP c1cc(N2CCNCC2)oc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000904351488 592237127 /nfs/dbraw/zinc/23/71/27/592237127.db2.gz ZUZMLPKLKFIAJG-IAGOWNOFSA-N 2 3 332.492 1.901 20 0 EDADHP c1cc(N2CCNCC2)oc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000904351488 592237130 /nfs/dbraw/zinc/23/71/30/592237130.db2.gz ZUZMLPKLKFIAJG-IAGOWNOFSA-N 2 3 332.492 1.901 20 0 EDADHP [NH3+]CCCCCCC[N@@H+]1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000852765756 595533653 /nfs/dbraw/zinc/53/36/53/595533653.db2.gz RXAKYAMDFPCGKC-KRWDZBQOSA-N 2 3 348.539 1.908 20 0 EDADHP [NH3+]CCCCCCC[N@H+]1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000852765756 595533654 /nfs/dbraw/zinc/53/36/54/595533654.db2.gz RXAKYAMDFPCGKC-KRWDZBQOSA-N 2 3 348.539 1.908 20 0 EDADHP CCc1nc(C)c(C[NH2+]C[C@H]2CCCN2C(=O)[C@H](C2CC2)[NH+](C)C)o1 ZINC001034960440 711428277 /nfs/dbraw/zinc/42/82/77/711428277.db2.gz KJRQNJNPNUDUHB-QAPCUYQASA-N 2 3 348.491 1.966 20 0 EDADHP NC(=O)C1CC[NH+](Cc2ccc(CN[C@@H]3CCC[C@H]([NH3+])C3)cc2)CC1 ZINC000568248701 306476912 /nfs/dbraw/zinc/47/69/12/306476912.db2.gz YBRXXZLOMLSENG-RBUKOAKNSA-N 2 3 344.503 1.743 20 0 EDADHP C[NH+](C)C[C@H](NC(=O)CCCN1CCC([NH3+])CC1)c1ccccc1 ZINC000433161782 305102216 /nfs/dbraw/zinc/10/22/16/305102216.db2.gz YJKAKAAYZDNCSC-SFHVURJKSA-N 2 3 332.492 1.609 20 0 EDADHP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2NCCCN1CC[NH2+]CC1 ZINC000423177412 446446824 /nfs/dbraw/zinc/44/68/24/446446824.db2.gz DWISBLRXXFMLNZ-IEBWSBKVSA-N 2 3 330.476 1.127 20 0 EDADHP CN(CCN1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1)Cc1ccccc1 ZINC000420311953 446475105 /nfs/dbraw/zinc/47/51/05/446475105.db2.gz HIMSPCBSIIGQST-IBGZPJMESA-N 2 3 330.520 1.736 20 0 EDADHP CC[C@@H]1[C@@H](C(=O)N(CCN(C)C)C[C@@H]2CCC[NH+]2CC)CC[N@@H+]1C ZINC000630879046 451457890 /nfs/dbraw/zinc/45/78/90/451457890.db2.gz DHOSKOYDJWQOQS-OKZBNKHCSA-N 2 3 338.540 1.591 20 0 EDADHP CC[C@@H]1[C@@H](C(=O)N(CCN(C)C)C[C@@H]2CCC[NH+]2CC)CC[N@H+]1C ZINC000630879046 451457897 /nfs/dbraw/zinc/45/78/97/451457897.db2.gz DHOSKOYDJWQOQS-OKZBNKHCSA-N 2 3 338.540 1.591 20 0 EDADHP CC[C@@H]1[C@@H](C(=O)N(CCN(C)C)C[C@@H]2CCC[N@@H+]2CC)CC[NH+]1C ZINC000630879046 451457904 /nfs/dbraw/zinc/45/79/04/451457904.db2.gz DHOSKOYDJWQOQS-OKZBNKHCSA-N 2 3 338.540 1.591 20 0 EDADHP CC[C@@H]1[C@@H](C(=O)N(CCN(C)C)C[C@@H]2CCC[N@H+]2CC)CC[NH+]1C ZINC000630879046 451457907 /nfs/dbraw/zinc/45/79/07/451457907.db2.gz DHOSKOYDJWQOQS-OKZBNKHCSA-N 2 3 338.540 1.591 20 0 EDADHP CC(C)[C@@H](C[NH3+])CN1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000634997843 451640994 /nfs/dbraw/zinc/64/09/94/451640994.db2.gz URJNEINCXKXNJP-HOTGVXAUSA-N 2 3 334.512 1.230 20 0 EDADHP C[NH+](C)CCOc1ccc(CN2CCC(OCCC[NH3+])CC2)cc1 ZINC000647506542 452243620 /nfs/dbraw/zinc/24/36/20/452243620.db2.gz OLPNIFLSQJRARO-UHFFFAOYSA-N 2 3 335.492 1.957 20 0 EDADHP O[C@@H]1CCN(Cc2ccc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)cc2)C1 ZINC000665240906 453620801 /nfs/dbraw/zinc/62/08/01/453620801.db2.gz VSNXRZILVRCLFZ-VNTMZGSJSA-N 2 3 329.488 1.731 20 0 EDADHP C[NH+]1CCC(N2CCC(NC(=O)N[C@]34CCC[C@@H]3[NH2+]CC4)CC2)CC1 ZINC000891462003 591080348 /nfs/dbraw/zinc/08/03/48/591080348.db2.gz PLAOBNLILUMVDZ-HKUYNNGSSA-N 2 3 349.523 1.129 20 0 EDADHP C[C@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)N1[C@H](C)CC[C@H]1C ZINC000412118964 303974106 /nfs/dbraw/zinc/97/41/06/303974106.db2.gz CCBPQHGMQGBOIX-KZNAEPCWSA-N 2 3 340.556 1.980 20 0 EDADHP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1cccc(OCCN(C)C)c1 ZINC000423182591 252043920 /nfs/dbraw/zinc/04/39/20/252043920.db2.gz QMKFNEDXUVXWFP-QGZVFWFLSA-N 2 3 334.508 1.573 20 0 EDADHP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)CCC[NH3+] ZINC000418701610 285245305 /nfs/dbraw/zinc/24/53/05/285245305.db2.gz KHGGLMVWCNORNS-JKSUJKDBSA-N 2 3 327.517 1.171 20 0 EDADHP CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)CCC[NH3+] ZINC000418701610 285245308 /nfs/dbraw/zinc/24/53/08/285245308.db2.gz KHGGLMVWCNORNS-JKSUJKDBSA-N 2 3 327.517 1.171 20 0 EDADHP CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C)CCC[NH3+] ZINC000418701607 285278732 /nfs/dbraw/zinc/27/87/32/285278732.db2.gz KHGGLMVWCNORNS-HOTGVXAUSA-N 2 3 327.517 1.171 20 0 EDADHP CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C)CCC[NH3+] ZINC000418701607 285278733 /nfs/dbraw/zinc/27/87/33/285278733.db2.gz KHGGLMVWCNORNS-HOTGVXAUSA-N 2 3 327.517 1.171 20 0 EDADHP C[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccc(OCCN(C)C)cc1 ZINC000151790991 442120523 /nfs/dbraw/zinc/12/05/23/442120523.db2.gz XFKGLNKONOVTKR-KRWDZBQOSA-N 2 3 349.519 1.982 20 0 EDADHP Cc1ccc([C@@H](CNC(=O)CCCN2CCC([NH3+])CC2)[NH+](C)C)cc1 ZINC000433163801 319973545 /nfs/dbraw/zinc/97/35/45/319973545.db2.gz PNVJKHCMOYCOCS-LJQANCHMSA-N 2 3 346.519 1.917 20 0 EDADHP CCOC(=O)C1([C@@H](C)[NH2+]CC[C@@H](N)Cc2ccccc2)CC[NH2+]CC1 ZINC000602018438 449278738 /nfs/dbraw/zinc/27/87/38/449278738.db2.gz BUJRPBXVQICVEN-SJLPKXTDSA-N 2 3 347.503 1.858 20 0 EDADHP CCOC(=O)C1([C@@H](C)NCC[C@@H]([NH3+])Cc2ccccc2)CC[NH2+]CC1 ZINC000602018438 449278741 /nfs/dbraw/zinc/27/87/41/449278741.db2.gz BUJRPBXVQICVEN-SJLPKXTDSA-N 2 3 347.503 1.858 20 0 EDADHP C[NH+]1CCC(N2CC[C@H]([NH2+]C3CCN(c4ccncc4)CC3)C2)CC1 ZINC000656499059 453227845 /nfs/dbraw/zinc/22/78/45/453227845.db2.gz HJUCAJWQLGVLKV-SFHVURJKSA-N 2 3 343.519 1.809 20 0 EDADHP COCC[NH+](CCOC)C1CCN(CC2CC[NH+](C)CC2)CC1 ZINC000894422461 591311342 /nfs/dbraw/zinc/31/13/42/591311342.db2.gz JSJKKCLYZLCJNC-UHFFFAOYSA-N 2 3 327.513 1.387 20 0 EDADHP C[C@@H]1C[N@H+](CC(=O)NC[C@@H](c2ccccc2)N(C)C)C[C@H]1CC[NH3+] ZINC000903498673 592179015 /nfs/dbraw/zinc/17/90/15/592179015.db2.gz AQBSAOYCWGINST-NXHRZFHOSA-N 2 3 332.492 1.322 20 0 EDADHP C[C@@H]1C[N@@H+](CC(=O)NC[C@@H](c2ccccc2)N(C)C)C[C@H]1CC[NH3+] ZINC000903498673 592179017 /nfs/dbraw/zinc/17/90/17/592179017.db2.gz AQBSAOYCWGINST-NXHRZFHOSA-N 2 3 332.492 1.322 20 0 EDADHP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)CCC[NH3+] ZINC000418701609 285245383 /nfs/dbraw/zinc/24/53/83/285245383.db2.gz KHGGLMVWCNORNS-HZPDHXFCSA-N 2 3 327.517 1.171 20 0 EDADHP CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)CCC[NH3+] ZINC000418701609 285245384 /nfs/dbraw/zinc/24/53/84/285245384.db2.gz KHGGLMVWCNORNS-HZPDHXFCSA-N 2 3 327.517 1.171 20 0 EDADHP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCC[C@H](N(C)C)C2)CC[NH2+]CC1 ZINC000422842142 279529218 /nfs/dbraw/zinc/52/92/18/279529218.db2.gz XSGRGVCLTZMFNB-XHSDSOJGSA-N 2 3 325.497 1.770 20 0 EDADHP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)CN1CCC(C)(C)C1 ZINC000553146170 306182915 /nfs/dbraw/zinc/18/29/15/306182915.db2.gz COUPWSIJRHFMLD-UHFFFAOYSA-N 2 3 326.529 1.450 20 0 EDADHP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000353422348 445594690 /nfs/dbraw/zinc/59/46/90/445594690.db2.gz BIWBRISJJKLTLT-QZTJIDSGSA-N 2 3 336.524 1.295 20 0 EDADHP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000418402531 446530648 /nfs/dbraw/zinc/53/06/48/446530648.db2.gz HPZDSMRQFZXPTJ-GVDBMIGSSA-N 2 3 339.528 1.171 20 0 EDADHP CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000418402531 446530651 /nfs/dbraw/zinc/53/06/51/446530651.db2.gz HPZDSMRQFZXPTJ-GVDBMIGSSA-N 2 3 339.528 1.171 20 0 EDADHP CCN1CCC(NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CC1 ZINC000339523811 535466865 /nfs/dbraw/zinc/46/68/65/535466865.db2.gz WTIBMWQVZAZZQF-UHFFFAOYSA-N 2 3 341.544 1.386 20 0 EDADHP CC1(C)C[NH2+]CC[C@H](NCc2ccc(CN3CC[NH2+]CC3)cc2)C1 ZINC000902402749 591991112 /nfs/dbraw/zinc/99/11/12/591991112.db2.gz DVNUCBXHWCOQKZ-IBGZPJMESA-N 2 3 330.520 1.960 20 0 EDADHP C[C@@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)N1[C@H](C)CC[C@H]1C ZINC000412118962 303974032 /nfs/dbraw/zinc/97/40/32/303974032.db2.gz CCBPQHGMQGBOIX-KURKYZTESA-N 2 3 340.556 1.980 20 0 EDADHP [NH3+]C1CCC([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)CC1 ZINC000422914957 304880026 /nfs/dbraw/zinc/88/00/26/304880026.db2.gz WUZRKWCOVBIYDI-UHFFFAOYSA-N 2 3 344.503 1.872 20 0 EDADHP CC[C@@H]1[C@@H](C(=O)N(CCN(C)C)C[C@H]2CCC[NH+]2CC)CC[N@@H+]1C ZINC000630879040 451456965 /nfs/dbraw/zinc/45/69/65/451456965.db2.gz DHOSKOYDJWQOQS-FGTMMUONSA-N 2 3 338.540 1.591 20 0 EDADHP CC[C@@H]1[C@@H](C(=O)N(CCN(C)C)C[C@H]2CCC[NH+]2CC)CC[N@H+]1C ZINC000630879040 451456969 /nfs/dbraw/zinc/45/69/69/451456969.db2.gz DHOSKOYDJWQOQS-FGTMMUONSA-N 2 3 338.540 1.591 20 0 EDADHP CC[C@@H]1[C@@H](C(=O)N(CCN(C)C)C[C@H]2CCC[N@@H+]2CC)CC[NH+]1C ZINC000630879040 451456973 /nfs/dbraw/zinc/45/69/73/451456973.db2.gz DHOSKOYDJWQOQS-FGTMMUONSA-N 2 3 338.540 1.591 20 0 EDADHP CC[C@@H]1[C@@H](C(=O)N(CCN(C)C)C[C@H]2CCC[N@H+]2CC)CC[NH+]1C ZINC000630879040 451456978 /nfs/dbraw/zinc/45/69/78/451456978.db2.gz DHOSKOYDJWQOQS-FGTMMUONSA-N 2 3 338.540 1.591 20 0 EDADHP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H](c3cc(N4CCNCC4)n[nH]3)C2)CC[NH2+]1 ZINC000663512507 453813408 /nfs/dbraw/zinc/81/34/08/453813408.db2.gz NUMUHUPWEHETJE-BRWVUGGUSA-N 2 3 346.523 1.387 20 0 EDADHP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H](c3cc(N4CCNCC4)n[nH]3)C2)CC[NH2+]1 ZINC000663512507 453813410 /nfs/dbraw/zinc/81/34/10/453813410.db2.gz NUMUHUPWEHETJE-BRWVUGGUSA-N 2 3 346.523 1.387 20 0 EDADHP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2Cc2ccc(N3CC[NH2+]CC3)o2)C1 ZINC000904376954 592244955 /nfs/dbraw/zinc/24/49/55/592244955.db2.gz ZEZHJRBYBAMSGY-BPQIPLTHSA-N 2 3 348.491 1.550 20 0 EDADHP c1c(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)sc2c1CNCC2 ZINC000873213046 597229659 /nfs/dbraw/zinc/22/96/59/597229659.db2.gz VPRGQONJFGNMJX-INIZCTEOSA-N 2 3 335.517 1.984 20 0 EDADHP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000418604697 446611195 /nfs/dbraw/zinc/61/11/95/446611195.db2.gz YALSUTSGXGXPBH-GVDBMIGSSA-N 2 3 339.528 1.042 20 0 EDADHP CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000418604697 446611201 /nfs/dbraw/zinc/61/12/01/446611201.db2.gz YALSUTSGXGXPBH-GVDBMIGSSA-N 2 3 339.528 1.042 20 0 EDADHP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC1CC[NH2+]CC1 ZINC000579691616 448853603 /nfs/dbraw/zinc/85/36/03/448853603.db2.gz UXJCTXBCDHRXMI-QGZVFWFLSA-N 2 3 339.528 1.044 20 0 EDADHP CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC1CC[NH2+]CC1 ZINC000579691616 448853609 /nfs/dbraw/zinc/85/36/09/448853609.db2.gz UXJCTXBCDHRXMI-QGZVFWFLSA-N 2 3 339.528 1.044 20 0 EDADHP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627198488 451181216 /nfs/dbraw/zinc/18/12/16/451181216.db2.gz LODNXBISPMXTTL-BRWVUGGUSA-N 2 3 339.528 1.184 20 0 EDADHP CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627198488 451181218 /nfs/dbraw/zinc/18/12/18/451181218.db2.gz LODNXBISPMXTTL-BRWVUGGUSA-N 2 3 339.528 1.184 20 0 EDADHP Cc1c(C[C@@H](C[NH3+])CN[C@H](CCC[NH3+])c2ccccc2)cnn1C ZINC000903919579 592377552 /nfs/dbraw/zinc/37/75/52/592377552.db2.gz OIOWQPPXZHIWIN-QFBILLFUSA-N 2 3 329.492 1.916 20 0 EDADHP Cc1c(C[C@@H](CN)C[NH2+][C@H](CCC[NH3+])c2ccccc2)cnn1C ZINC000903919579 592377556 /nfs/dbraw/zinc/37/75/56/592377556.db2.gz OIOWQPPXZHIWIN-QFBILLFUSA-N 2 3 329.492 1.916 20 0 EDADHP CCC([NH3+])(CC)CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000417381399 304395918 /nfs/dbraw/zinc/39/59/18/304395918.db2.gz ILLHHRJEFLTEQM-UHFFFAOYSA-N 2 3 339.528 1.362 20 0 EDADHP CCOC(=O)C1([C@H](C)[NH2+]Cc2ccc3c(c2)CNC3)CC[NH2+]CC1 ZINC000423389825 319770051 /nfs/dbraw/zinc/77/00/51/319770051.db2.gz OMFLLXGQFRBECJ-AWEZNQCLSA-N 2 3 331.460 1.701 20 0 EDADHP C[C@H]([NH3+])C[C@H](C)NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000423191453 446449001 /nfs/dbraw/zinc/44/90/01/446449001.db2.gz SYMWCIAHIMJZFU-GJZGRUSLSA-N 2 3 332.492 1.599 20 0 EDADHP c1cc2c(cc1CN1CCC(CO[C@@H]3CC[NH2+]C3)CC1)C[NH2+]CC2 ZINC000530239105 449091109 /nfs/dbraw/zinc/09/11/09/449091109.db2.gz CRKLAXORBSSYIQ-HXUWFJFHSA-N 2 3 329.488 1.923 20 0 EDADHP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000641090294 451747204 /nfs/dbraw/zinc/74/72/04/451747204.db2.gz GNICNMYKZZIWKN-IAGOWNOFSA-N 2 3 339.528 1.186 20 0 EDADHP CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000641090294 451747206 /nfs/dbraw/zinc/74/72/06/451747206.db2.gz GNICNMYKZZIWKN-IAGOWNOFSA-N 2 3 339.528 1.186 20 0 EDADHP CN1CCC(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)(N2CCCCC2)CC1 ZINC000647788681 452521732 /nfs/dbraw/zinc/52/17/32/452521732.db2.gz ONPJNSGKQIBMAE-IPMKNSEASA-N 2 3 334.552 1.914 20 0 EDADHP [NH3+]CCC(=O)NC[C@H]1CCCCN1Cc1cccc2c1CC[NH2+]C2 ZINC000662270702 453000559 /nfs/dbraw/zinc/00/05/59/453000559.db2.gz CGLDGPQWKZQDCY-QGZVFWFLSA-N 2 3 330.476 1.152 20 0 EDADHP C[NH2+]CCCC(=O)N1CCC(N[C@@H](C)C[C@@H]2CCCCC[NH2+]2)CC1 ZINC000663505338 453812085 /nfs/dbraw/zinc/81/20/85/453812085.db2.gz IBRLHAXCJFMNPD-WMZOPIPTSA-N 2 3 338.540 1.877 20 0 EDADHP C[C@@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)C1CC[NH+](C)CC1 ZINC000675794645 487444713 /nfs/dbraw/zinc/44/47/13/487444713.db2.gz FBQWZSNZKUIJNJ-GOSISDBHSA-N 2 3 345.535 1.914 20 0 EDADHP Cc1c(C[C@H](C[NH3+])CN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cnn1C ZINC000903929070 592382090 /nfs/dbraw/zinc/38/20/90/592382090.db2.gz AEBLRLAEUAOIEH-ATZDWAIDSA-N 2 3 349.523 1.064 20 0 EDADHP NCc1cn(-c2cccc(C[NH2+]CC3C[C@H]4CC[C@@H](C3)[NH2+]4)c2)nn1 ZINC000903937789 592388163 /nfs/dbraw/zinc/38/81/63/592388163.db2.gz RJLLZIQWQBJMIW-MQVJKMGUSA-N 2 3 326.448 1.346 20 0 EDADHP C[C@H](C[C@H](C)[NH3+])NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000422886488 252012455 /nfs/dbraw/zinc/01/24/55/252012455.db2.gz JERQUVWZTXTMOD-DAYGRLMNSA-N 2 3 332.492 1.599 20 0 EDADHP C[C@H](C[C@H](C)[NH3+])NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000422886488 252012458 /nfs/dbraw/zinc/01/24/58/252012458.db2.gz JERQUVWZTXTMOD-DAYGRLMNSA-N 2 3 332.492 1.599 20 0 EDADHP C[C@H]1[C@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CCCN1C ZINC000345755376 143129467 /nfs/dbraw/zinc/12/94/67/143129467.db2.gz RYHXOSIWCCQREY-DLBZAZTESA-N 2 3 341.544 1.384 20 0 EDADHP C[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccc(OCCN(C)C)cc1 ZINC000151791071 442120409 /nfs/dbraw/zinc/12/04/09/442120409.db2.gz XFKGLNKONOVTKR-QGZVFWFLSA-N 2 3 349.519 1.982 20 0 EDADHP C[NH+]1CC[C@@]2(CCN(C/C=C/CN3CC[C@@]4(CC[N@@H+](C)C4)C3)C2)C1 ZINC000366484697 446232105 /nfs/dbraw/zinc/23/21/05/446232105.db2.gz ULOQFKMEGDQFBO-FMEUAVTJSA-N 2 3 332.536 1.598 20 0 EDADHP C[NH+]1CC[C@@]2(CCN(C/C=C/CN3CC[C@@]4(CC[N@H+](C)C4)C3)C2)C1 ZINC000366484697 446232109 /nfs/dbraw/zinc/23/21/09/446232109.db2.gz ULOQFKMEGDQFBO-FMEUAVTJSA-N 2 3 332.536 1.598 20 0 EDADHP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000418402529 446530940 /nfs/dbraw/zinc/53/09/40/446530940.db2.gz HPZDSMRQFZXPTJ-BBWFWOEESA-N 2 3 339.528 1.171 20 0 EDADHP CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000418402529 446530945 /nfs/dbraw/zinc/53/09/45/446530945.db2.gz HPZDSMRQFZXPTJ-BBWFWOEESA-N 2 3 339.528 1.171 20 0 EDADHP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000418402530 446531200 /nfs/dbraw/zinc/53/12/00/446531200.db2.gz HPZDSMRQFZXPTJ-BRWVUGGUSA-N 2 3 339.528 1.171 20 0 EDADHP CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000418402530 446531204 /nfs/dbraw/zinc/53/12/04/446531204.db2.gz HPZDSMRQFZXPTJ-BRWVUGGUSA-N 2 3 339.528 1.171 20 0 EDADHP CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000576403735 448045907 /nfs/dbraw/zinc/04/59/07/448045907.db2.gz XUSHWEHAZDRYSU-IRXDYDNUSA-N 2 3 336.524 1.297 20 0 EDADHP Cc1c(C[C@@H](CN)C[NH2+][C@H]2CCCCC23CC[NH2+]CC3)cnn1C ZINC000903937418 592387357 /nfs/dbraw/zinc/38/73/57/592387357.db2.gz KNVUJQYNNYGTFZ-WMZOPIPTSA-N 2 3 333.524 1.748 20 0 EDADHP C[NH+]1CCC(N2CCC(NC(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)CC1 ZINC000431050834 305073838 /nfs/dbraw/zinc/07/38/38/305073838.db2.gz NFNPGXUADZEJEE-ZNXRZULTSA-N 2 3 348.535 1.582 20 0 EDADHP c1ccc(C[N@H+]2CC[C@H](NCCN3CC[NH2+]CC3)[C@@H]3CCC[C@H]32)cc1 ZINC000423205860 446453670 /nfs/dbraw/zinc/45/36/70/446453670.db2.gz PVBJFJIWCVQKIV-PCCBWWKXSA-N 2 3 342.531 1.924 20 0 EDADHP c1ccc(C[N@@H+]2CC[C@H](NCCN3CC[NH2+]CC3)[C@@H]3CCC[C@H]32)cc1 ZINC000423205860 446453674 /nfs/dbraw/zinc/45/36/74/446453674.db2.gz PVBJFJIWCVQKIV-PCCBWWKXSA-N 2 3 342.531 1.924 20 0 EDADHP CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000576403737 448045882 /nfs/dbraw/zinc/04/58/82/448045882.db2.gz XUSHWEHAZDRYSU-SJORKVTESA-N 2 3 336.524 1.297 20 0 EDADHP O[C@@H]1CCN(Cc2ccccc2C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647794194 452527002 /nfs/dbraw/zinc/52/70/02/452527002.db2.gz UCLPZWRRRZIRGE-GSEOLPGOSA-N 2 3 329.488 1.731 20 0 EDADHP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(Cc2ccc(N3CC[NH2+]CC3)o2)CC1 ZINC000904371316 592240084 /nfs/dbraw/zinc/24/00/84/592240084.db2.gz MJMLXDBPCUXAGY-IEBWSBKVSA-N 2 3 348.491 1.408 20 0 EDADHP CC[NH+](CC)CCO[C@H]1CCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903742762 592304146 /nfs/dbraw/zinc/30/41/46/592304146.db2.gz ZNVMECSWAUGHLW-ROUUACIJSA-N 2 3 339.524 1.578 20 0 EDADHP CCN1CCC[C@@H]1CNC(=[NH2+])NCC1(SC)CC[NH+](C)CC1 ZINC000849085137 595480038 /nfs/dbraw/zinc/48/00/38/595480038.db2.gz ZBHANFCRDACBKW-CQSZACIVSA-N 2 3 327.542 1.412 20 0 EDADHP CC(C)C[N@H+](CC1CC[NH+](C)CC1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000873224161 597231990 /nfs/dbraw/zinc/23/19/90/597231990.db2.gz YJIKYPRTEJHXBZ-GOSISDBHSA-N 2 3 338.540 1.484 20 0 EDADHP CC(C)C[N@@H+](CC1CC[NH+](C)CC1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000873224161 597231993 /nfs/dbraw/zinc/23/19/93/597231993.db2.gz YJIKYPRTEJHXBZ-GOSISDBHSA-N 2 3 338.540 1.484 20 0 EDADHP CCOC1CC(C[NH2+]C[C@H]2CCCN2C(=O)C2([NH+](C)C)CCC2)C1 ZINC001034957183 711428355 /nfs/dbraw/zinc/42/83/55/711428355.db2.gz LUMDHNFDBHSTBN-AQFXKWCLSA-N 2 3 337.508 1.866 20 0 EDADHP c1cc2c(cc1CN1CCC(CO[C@H]3CC[NH2+]C3)CC1)C[NH2+]CC2 ZINC000530239103 305935462 /nfs/dbraw/zinc/93/54/62/305935462.db2.gz CRKLAXORBSSYIQ-FQEVSTJZSA-N 2 3 329.488 1.923 20 0 EDADHP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)Nc1cc(N2CC[NH2+]CC2)ccn1 ZINC000635013560 451648708 /nfs/dbraw/zinc/64/87/08/451648708.db2.gz ZJYSIBYFPDLCBS-CRAIPNDOSA-N 2 3 325.460 1.862 20 0 EDADHP CC(C)[NH2+]C1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC1 ZINC000665757808 452324949 /nfs/dbraw/zinc/32/49/49/452324949.db2.gz XBXAEYVAEBWXSG-INIZCTEOSA-N 2 3 341.544 1.430 20 0 EDADHP CC(C)[NH2+]C1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC1 ZINC000665757808 452324952 /nfs/dbraw/zinc/32/49/52/452324952.db2.gz XBXAEYVAEBWXSG-INIZCTEOSA-N 2 3 341.544 1.430 20 0 EDADHP C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@@H]4[NH2+]CC[C@@H]43)CC2)CC1 ZINC000891459550 591078078 /nfs/dbraw/zinc/07/80/78/591078078.db2.gz AXGWLPXJEAWJEY-ROUUACIJSA-N 2 3 349.523 1.081 20 0 EDADHP C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CCC[C@H]([NH3+])C3)CC2)CC1 ZINC000891463438 591080062 /nfs/dbraw/zinc/08/00/62/591080062.db2.gz XUGZMZLHJQJJBZ-GOEBONIOSA-N 2 3 337.512 1.114 20 0 EDADHP NCC(=O)N1CCC[C@@H](C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)C1 ZINC000904459031 592265723 /nfs/dbraw/zinc/26/57/23/592265723.db2.gz MXLZDXQAMSWXLI-KRWDZBQOSA-N 2 3 344.503 1.176 20 0 EDADHP [NH3+]CCCCCC[N@@H+]1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000852763825 595532328 /nfs/dbraw/zinc/53/23/28/595532328.db2.gz ZLUUEVSYYNWHPW-MRXNPFEDSA-N 2 3 334.512 1.518 20 0 EDADHP [NH3+]CCCCCC[N@H+]1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000852763825 595532331 /nfs/dbraw/zinc/53/23/31/595532331.db2.gz ZLUUEVSYYNWHPW-MRXNPFEDSA-N 2 3 334.512 1.518 20 0 EDADHP CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868182559 596714233 /nfs/dbraw/zinc/71/42/33/596714233.db2.gz SWBKROUNUCVVIP-DLBZAZTESA-N 2 3 333.480 1.458 20 0 EDADHP CCN1CCN(c2ccccc2C[NH+]2CCC(O)(C[NH3+])CC2)CC1 ZINC000415142649 304164002 /nfs/dbraw/zinc/16/40/02/304164002.db2.gz QJZILYHVNMQYBT-UHFFFAOYSA-N 2 3 332.492 1.114 20 0 EDADHP CCN1CC[NH+](CCCC[NH2+][C@H](Cc2ccccc2)[C@H](C)N)CC1 ZINC000422860859 252003610 /nfs/dbraw/zinc/00/36/10/252003610.db2.gz LYHQCSSDQRRYPF-AZUAARDMSA-N 2 3 332.536 1.952 20 0 EDADHP C[NH+]1CCC(N2CCC(NC(=O)NCC3([NH3+])CCCC3)CC2)CC1 ZINC000659444663 452293687 /nfs/dbraw/zinc/29/36/87/452293687.db2.gz GDPGPGXFDQWXLL-UHFFFAOYSA-N 2 3 337.512 1.116 20 0 EDADHP C[NH+](C)C[C@@H]1CN(C(=O)[C@H](N)CC2CCCCC2)C[C@H]1C[NH+](C)C ZINC000877144409 597442180 /nfs/dbraw/zinc/44/21/80/597442180.db2.gz LXWKRDHIOUFPIK-KZNAEPCWSA-N 2 3 338.540 1.482 20 0 EDADHP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2CNCc3ccccc32)C[C@H]1C[NH+](C)C ZINC000877144814 597442817 /nfs/dbraw/zinc/44/28/17/597442817.db2.gz WZKCRFVEPZLDRW-LMMKCTJWSA-N 2 3 344.503 1.071 20 0 EDADHP CCN1CCN(c2ccccc2C[NH2+]CCCN2CC[NH2+]CC2)CC1 ZINC000414778704 304139764 /nfs/dbraw/zinc/13/97/64/304139764.db2.gz IKNUSRSFDCDRTB-UHFFFAOYSA-N 2 3 345.535 1.213 20 0 EDADHP C[C@@H](C[C@H]1CCCCC[NH2+]1)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000414991024 304148872 /nfs/dbraw/zinc/14/88/72/304148872.db2.gz PWYUAMOZKFKQTN-WFEDQXDTSA-N 2 3 336.524 1.534 20 0 EDADHP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(OCCN(C)C)cc1 ZINC000423187270 446447326 /nfs/dbraw/zinc/44/73/26/446447326.db2.gz XSHJVNBICADZQX-KRWDZBQOSA-N 2 3 334.508 1.573 20 0 EDADHP C[C@H](CNC(=O)N(CCN(C)C)CC[NH+](C)C)C[NH+]1CCCCC1 ZINC000607235079 449588502 /nfs/dbraw/zinc/58/85/02/449588502.db2.gz ZSDNHSULKBUGAU-QGZVFWFLSA-N 2 3 341.544 1.243 20 0 EDADHP CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000641090302 451747416 /nfs/dbraw/zinc/74/74/16/451747416.db2.gz GNICNMYKZZIWKN-SJORKVTESA-N 2 3 339.528 1.186 20 0 EDADHP CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000641090302 451747417 /nfs/dbraw/zinc/74/74/17/451747417.db2.gz GNICNMYKZZIWKN-SJORKVTESA-N 2 3 339.528 1.186 20 0 EDADHP N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652349573 452525124 /nfs/dbraw/zinc/52/51/24/452525124.db2.gz SUXWCOIJSROOMY-SWBPCFCJSA-N 2 3 347.503 1.136 20 0 EDADHP N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652349573 452525131 /nfs/dbraw/zinc/52/51/31/452525131.db2.gz SUXWCOIJSROOMY-SWBPCFCJSA-N 2 3 347.503 1.136 20 0 EDADHP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCC[C@@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652349573 452525137 /nfs/dbraw/zinc/52/51/37/452525137.db2.gz SUXWCOIJSROOMY-SWBPCFCJSA-N 2 3 347.503 1.136 20 0 EDADHP CN(CCN1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1)Cc1ccccc1 ZINC000420311958 446475270 /nfs/dbraw/zinc/47/52/70/446475270.db2.gz HIMSPCBSIIGQST-LJQANCHMSA-N 2 3 330.520 1.736 20 0 EDADHP CC[NH+]1CCC(N2CCC(C(=O)NCC3([NH2+]C)CCC3)CC2)CC1 ZINC000630004074 450945817 /nfs/dbraw/zinc/94/58/17/450945817.db2.gz LWVMPCGNJMRKKD-UHFFFAOYSA-N 2 3 336.524 1.441 20 0 EDADHP CC(C)[N@H+](C)CC1CC[NH+](C[C@H](O)[C@@H](N)Cc2ccccc2)CC1 ZINC000649411941 452075353 /nfs/dbraw/zinc/07/53/53/452075353.db2.gz XFLJWKMPAVHWAN-PMACEKPBSA-N 2 3 333.520 1.970 20 0 EDADHP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H](O)[C@@H](N)Cc2ccccc2)CC1 ZINC000649411941 452075357 /nfs/dbraw/zinc/07/53/57/452075357.db2.gz XFLJWKMPAVHWAN-PMACEKPBSA-N 2 3 333.520 1.970 20 0 EDADHP CC(C)[N@H+](C)CC1CCN(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000649411941 452075362 /nfs/dbraw/zinc/07/53/62/452075362.db2.gz XFLJWKMPAVHWAN-PMACEKPBSA-N 2 3 333.520 1.970 20 0 EDADHP CC(C)[N@@H+](C)CC1CCN(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000649411941 452075367 /nfs/dbraw/zinc/07/53/67/452075367.db2.gz XFLJWKMPAVHWAN-PMACEKPBSA-N 2 3 333.520 1.970 20 0 EDADHP C[NH+](C)C[C@@H]1CN(C(=O)Nc2cccc(CN)c2)C[C@H]1C[NH+](C)C ZINC000868165257 596707698 /nfs/dbraw/zinc/70/76/98/596707698.db2.gz XXEMMVZRBTXSSM-HZPDHXFCSA-N 2 3 333.480 1.348 20 0 EDADHP C[NH+]1CCC(CNC(=O)[C@H]2C[C@@H]([NH3+])C2(C)C)(N2CCCCC2)CC1 ZINC000876784822 597339516 /nfs/dbraw/zinc/33/95/16/597339516.db2.gz KZZZRRZNWQHDBE-HZPDHXFCSA-N 2 3 336.524 1.426 20 0 EDADHP CC[NH+]1CCC(N2CCC(C(=O)NCC[NH2+]C(C)(C)C)CC2)CC1 ZINC000561257737 306285823 /nfs/dbraw/zinc/28/58/23/306285823.db2.gz XGPOJYAOKMLBIT-UHFFFAOYSA-N 2 3 338.540 1.687 20 0 EDADHP C[NH+](C)CCNC(=O)c1cccc(CN[C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000422904555 252018249 /nfs/dbraw/zinc/01/82/49/252018249.db2.gz GYDXROCOAMRYQB-ROUUACIJSA-N 2 3 332.492 1.585 20 0 EDADHP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000298559173 443799340 /nfs/dbraw/zinc/79/93/40/443799340.db2.gz VUABGTXSEPQYPD-IBGZPJMESA-N 2 3 332.492 1.877 20 0 EDADHP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000298559173 443799341 /nfs/dbraw/zinc/79/93/41/443799341.db2.gz VUABGTXSEPQYPD-IBGZPJMESA-N 2 3 332.492 1.877 20 0 EDADHP CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccc3c(c2)CNC3)CC[NH2+]CC1 ZINC000423389827 446514239 /nfs/dbraw/zinc/51/42/39/446514239.db2.gz OMFLLXGQFRBECJ-CQSZACIVSA-N 2 3 331.460 1.701 20 0 EDADHP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCCCN1CCN(CCO)CC1 ZINC000422975481 447785741 /nfs/dbraw/zinc/78/57/41/447785741.db2.gz GWXKKKONHQGLOC-RBUKOAKNSA-N 2 3 340.556 1.277 20 0 EDADHP NC[C@@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000576704477 448120390 /nfs/dbraw/zinc/12/03/90/448120390.db2.gz UMQHGMARHBZZDJ-WOJBJXKFSA-N 2 3 330.520 1.564 20 0 EDADHP NC[C@@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000576704477 448120396 /nfs/dbraw/zinc/12/03/96/448120396.db2.gz UMQHGMARHBZZDJ-WOJBJXKFSA-N 2 3 330.520 1.564 20 0 EDADHP CC[NH+](CC)CC1CC[NH+](C[C@H](O)[C@@H](N)Cc2ccccc2)CC1 ZINC000519161766 448748436 /nfs/dbraw/zinc/74/84/36/448748436.db2.gz NCPJXLFLUOUWCF-PMACEKPBSA-N 2 3 333.520 1.971 20 0 EDADHP CC[NH+](CC)CC1CCN(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000519161766 448748441 /nfs/dbraw/zinc/74/84/41/448748441.db2.gz NCPJXLFLUOUWCF-PMACEKPBSA-N 2 3 333.520 1.971 20 0 EDADHP CN(CCOCC[NH3+])Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000629665852 450774752 /nfs/dbraw/zinc/77/47/52/450774752.db2.gz QFRYMNLLBJTNPO-UHFFFAOYSA-N 2 3 334.508 1.624 20 0 EDADHP CN1CCN(Cc2ccc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)cc2)CC1 ZINC000647786183 452520744 /nfs/dbraw/zinc/52/07/44/452520744.db2.gz JXANWNZICYCDAJ-PCCBWWKXSA-N 2 3 342.531 1.912 20 0 EDADHP COCC[N@H+](C[C@H]1C[C@]2(CC[NH2+]C2)CO1)CC1CCN(C)CC1 ZINC000903775059 592318386 /nfs/dbraw/zinc/31/83/86/592318386.db2.gz GUITWFRUHBAEAV-MSOLQXFVSA-N 2 3 325.497 1.045 20 0 EDADHP COCC[N@@H+](C[C@H]1C[C@]2(CC[NH2+]C2)CO1)CC1CCN(C)CC1 ZINC000903775059 592318390 /nfs/dbraw/zinc/31/83/90/592318390.db2.gz GUITWFRUHBAEAV-MSOLQXFVSA-N 2 3 325.497 1.045 20 0 EDADHP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2cccc3c2CCNC3)CC1 ZINC000903932787 592385416 /nfs/dbraw/zinc/38/54/16/592385416.db2.gz GZNDPDSHPDEPGK-UHFFFAOYSA-N 2 3 344.503 1.413 20 0 EDADHP CCN1CCC[C@H]1CNC(=[NH2+])NCC1(SC)CC[NH+](C)CC1 ZINC000849085135 595479804 /nfs/dbraw/zinc/47/98/04/595479804.db2.gz ZBHANFCRDACBKW-AWEZNQCLSA-N 2 3 327.542 1.412 20 0 EDADHP NCc1cn(-c2cccc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)c2)nn1 ZINC000873218229 597231525 /nfs/dbraw/zinc/23/15/25/597231525.db2.gz ZVKJEFHPWRBRTG-OWCLPIDISA-N 2 3 326.448 1.204 20 0 EDADHP C[NH+](C)CCNC(=O)c1cccc(CN[C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000422904556 252018432 /nfs/dbraw/zinc/01/84/32/252018432.db2.gz GYDXROCOAMRYQB-ZWKOTPCHSA-N 2 3 332.492 1.585 20 0 EDADHP C[N@H+](CCNC(=O)CCCN1CCC([NH3+])CC1)Cc1ccccc1 ZINC000433122246 305101081 /nfs/dbraw/zinc/10/10/81/305101081.db2.gz VFNGYAXISWZGEZ-UHFFFAOYSA-N 2 3 332.492 1.438 20 0 EDADHP C[N@@H+](CCNC(=O)CCCN1CCC([NH3+])CC1)Cc1ccccc1 ZINC000433122246 305101082 /nfs/dbraw/zinc/10/10/82/305101082.db2.gz VFNGYAXISWZGEZ-UHFFFAOYSA-N 2 3 332.492 1.438 20 0 EDADHP C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000422716119 447726422 /nfs/dbraw/zinc/72/64/22/447726422.db2.gz MXPLILYBYYLBOI-IPELMVKDSA-N 2 3 335.492 1.859 20 0 EDADHP CN(C)CCNC(=O)c1cccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647790093 452522913 /nfs/dbraw/zinc/52/29/13/452522913.db2.gz RHCXAFKDBHHTLI-GUDVDZBRSA-N 2 3 344.503 1.456 20 0 EDADHP c1c(N2CCNCC2)n[nH]c1[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000662336722 453053476 /nfs/dbraw/zinc/05/34/76/453053476.db2.gz GCBUVUYMQAERIS-DLBZAZTESA-N 2 3 346.523 1.388 20 0 EDADHP c1c(N2CCNCC2)n[nH]c1[C@@H]1CCC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000662336722 453053487 /nfs/dbraw/zinc/05/34/87/453053487.db2.gz GCBUVUYMQAERIS-DLBZAZTESA-N 2 3 346.523 1.388 20 0 EDADHP C[C@]1(CNCC2([NH3+])CCN(Cc3ccccc3)CC2)CCC[NH2+]C1 ZINC000904372927 592239955 /nfs/dbraw/zinc/23/99/55/592239955.db2.gz JXTPOUIWNCWGGV-IBGZPJMESA-N 2 3 330.520 1.959 20 0 EDADHP Cc1c(C[C@H](CN)C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cnn1C ZINC000903932389 592383708 /nfs/dbraw/zinc/38/37/08/592383708.db2.gz QJTLQUCJUZMQLS-KCITZHQASA-N 2 3 349.523 1.064 20 0 EDADHP Cc1c(C[C@H](CN)C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cnn1C ZINC000903932389 592383713 /nfs/dbraw/zinc/38/37/13/592383713.db2.gz QJTLQUCJUZMQLS-KCITZHQASA-N 2 3 349.523 1.064 20 0 EDADHP Cc1c(C[C@H](C[NH3+])CN2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cnn1C ZINC000903932389 592383719 /nfs/dbraw/zinc/38/37/19/592383719.db2.gz QJTLQUCJUZMQLS-KCITZHQASA-N 2 3 349.523 1.064 20 0 EDADHP C[NH+]1CCC(N2CCC(NC(=O)NCCCCCC[NH3+])CC2)CC1 ZINC000831123006 594562457 /nfs/dbraw/zinc/56/24/57/594562457.db2.gz BJFVWDMXARJSFG-UHFFFAOYSA-N 2 3 339.528 1.363 20 0 EDADHP CCN1CCC[C@@H]1CNC(=[NH2+])NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000849104035 595482600 /nfs/dbraw/zinc/48/26/00/595482600.db2.gz JRDGWPFGPTUPTR-HZPDHXFCSA-N 2 3 325.501 1.086 20 0 EDADHP CCN1CCC[C@@H]1CNC(=[NH2+])NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000849104035 595482602 /nfs/dbraw/zinc/48/26/02/595482602.db2.gz JRDGWPFGPTUPTR-HZPDHXFCSA-N 2 3 325.501 1.086 20 0 EDADHP CN1CCN(CC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1(C)C ZINC000297293787 303382306 /nfs/dbraw/zinc/38/23/06/303382306.db2.gz ACSZMYHMDWVIAJ-UHFFFAOYSA-N 2 3 331.508 1.666 20 0 EDADHP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000423192332 304889053 /nfs/dbraw/zinc/88/90/53/304889053.db2.gz UMUNKQJVHCXBRC-MRXNPFEDSA-N 2 3 346.519 1.991 20 0 EDADHP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)CC1 ZINC000261966103 443176100 /nfs/dbraw/zinc/17/61/00/443176100.db2.gz QBBOVHFGAAASAQ-IPMKNSEASA-N 2 3 338.540 1.007 20 0 EDADHP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000418341240 446507752 /nfs/dbraw/zinc/50/77/52/446507752.db2.gz OVEDQEZYHPDMHN-DLBZAZTESA-N 2 3 339.528 1.044 20 0 EDADHP CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000418341240 446507759 /nfs/dbraw/zinc/50/77/59/446507759.db2.gz OVEDQEZYHPDMHN-DLBZAZTESA-N 2 3 339.528 1.044 20 0 EDADHP C[C@@H]([NH3+])C[C@H](C)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000422913833 447771600 /nfs/dbraw/zinc/77/16/00/447771600.db2.gz QWAYGSAZERUFLE-CVEARBPZSA-N 2 3 332.492 1.728 20 0 EDADHP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2Cc2ccc(N3CC[NH2+]CC3)o2)C1 ZINC000904376958 592245001 /nfs/dbraw/zinc/24/50/01/592245001.db2.gz ZEZHJRBYBAMSGY-NXHRZFHOSA-N 2 3 348.491 1.550 20 0 EDADHP C(C[NH+]1CCCC1)OC1CCN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903740066 592302394 /nfs/dbraw/zinc/30/23/94/592302394.db2.gz CKABHRPWEXUPEL-RTBURBONSA-N 2 3 337.508 1.332 20 0 EDADHP Cc1c(C[C@H](CN)C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cnn1C ZINC000903932388 592383309 /nfs/dbraw/zinc/38/33/09/592383309.db2.gz QJTLQUCJUZMQLS-JFRXWTBNSA-N 2 3 349.523 1.064 20 0 EDADHP Cc1c(C[C@H](CN)C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cnn1C ZINC000903932388 592383314 /nfs/dbraw/zinc/38/33/14/592383314.db2.gz QJTLQUCJUZMQLS-JFRXWTBNSA-N 2 3 349.523 1.064 20 0 EDADHP Cc1c(C[C@H](C[NH3+])CN2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cnn1C ZINC000903932388 592383319 /nfs/dbraw/zinc/38/33/19/592383319.db2.gz QJTLQUCJUZMQLS-JFRXWTBNSA-N 2 3 349.523 1.064 20 0 EDADHP Cc1c(C[C@@H](CN)C[NH2+][C@@H]2CCCCC23CC[NH2+]CC3)cnn1C ZINC000903937416 592388143 /nfs/dbraw/zinc/38/81/43/592388143.db2.gz KNVUJQYNNYGTFZ-FUHWJXTLSA-N 2 3 333.524 1.748 20 0 EDADHP C[C@@H](C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)N1[C@H](C)CC[C@@H]1C ZINC000870023479 596713082 /nfs/dbraw/zinc/71/30/82/596713082.db2.gz ZXFRBFJZOWYRRY-IGKNDFSCSA-N 2 3 338.540 1.446 20 0 EDADHP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000418341243 446507307 /nfs/dbraw/zinc/50/73/07/446507307.db2.gz OVEDQEZYHPDMHN-IAGOWNOFSA-N 2 3 339.528 1.044 20 0 EDADHP CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000418341243 446507312 /nfs/dbraw/zinc/50/73/12/446507312.db2.gz OVEDQEZYHPDMHN-IAGOWNOFSA-N 2 3 339.528 1.044 20 0 EDADHP CN(C)CCNC(=O)c1cccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647790092 452522730 /nfs/dbraw/zinc/52/27/30/452522730.db2.gz RHCXAFKDBHHTLI-GBESFXJTSA-N 2 3 344.503 1.456 20 0 EDADHP [NH3+][C@@H]1CCCO[C@H]1C1CCN(Cc2ccc(N3CC[NH2+]CC3)o2)CC1 ZINC000904371317 592240188 /nfs/dbraw/zinc/24/01/88/592240188.db2.gz MJMLXDBPCUXAGY-MJGOQNOKSA-N 2 3 348.491 1.408 20 0 EDADHP C[C@H]([NH3+])C[C@H](C)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000422886491 252012112 /nfs/dbraw/zinc/01/21/12/252012112.db2.gz JERQUVWZTXTMOD-RLFYNMQTSA-N 2 3 332.492 1.599 20 0 EDADHP C[C@H]([NH3+])C[C@H](C)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000422886491 252012116 /nfs/dbraw/zinc/01/21/16/252012116.db2.gz JERQUVWZTXTMOD-RLFYNMQTSA-N 2 3 332.492 1.599 20 0 EDADHP CN(C)[C@H](CNC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccccc1 ZINC000420334058 446505237 /nfs/dbraw/zinc/50/52/37/446505237.db2.gz KZTQMNROMWFQDS-CEXWTWQISA-N 2 3 344.503 1.337 20 0 EDADHP CN(C)[C@H](CNC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccccc1 ZINC000420334058 446505243 /nfs/dbraw/zinc/50/52/43/446505243.db2.gz KZTQMNROMWFQDS-CEXWTWQISA-N 2 3 344.503 1.337 20 0 EDADHP CC[NH2+][C@H](C)CNC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000418600350 446610259 /nfs/dbraw/zinc/61/02/59/446610259.db2.gz JLUZZKIBYIWYKS-HZPDHXFCSA-N 2 3 327.517 1.042 20 0 EDADHP CC[NH2+][C@H](C)CNC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000418600350 446610266 /nfs/dbraw/zinc/61/02/66/446610266.db2.gz JLUZZKIBYIWYKS-HZPDHXFCSA-N 2 3 327.517 1.042 20 0 EDADHP C[N@@H+](Cc1ccccc1)CC1CCN(CCN2CC[NH2+]CC2)CC1 ZINC000567990336 448795144 /nfs/dbraw/zinc/79/51/44/448795144.db2.gz VHQSSVLMSXIASA-UHFFFAOYSA-N 2 3 330.520 1.736 20 0 EDADHP C[N@H+](Cc1ccccc1)CC1CCN(CCN2CC[NH2+]CC2)CC1 ZINC000567990336 448795146 /nfs/dbraw/zinc/79/51/46/448795146.db2.gz VHQSSVLMSXIASA-UHFFFAOYSA-N 2 3 330.520 1.736 20 0 EDADHP O=C(CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000649417908 452079461 /nfs/dbraw/zinc/07/94/61/452079461.db2.gz NVGTZNROTSXQAD-IRXDYDNUSA-N 2 3 348.535 1.441 20 0 EDADHP FC(F)(F)[C@@H](CNCc1cc2c(s1)CC[NH2+]C2)N1CC[NH2+]CC1 ZINC000873212444 597229782 /nfs/dbraw/zinc/22/97/82/597229782.db2.gz KMVIIPSXROOXPY-CQSZACIVSA-N 2 3 348.438 1.320 20 0 EDADHP C[NH+](C)[C@H](CNC(=O)CCCN1CCC([NH3+])CC1)c1ccccc1 ZINC000433116048 305100697 /nfs/dbraw/zinc/10/06/97/305100697.db2.gz LGKAJJLDDBVVLI-GOSISDBHSA-N 2 3 332.492 1.609 20 0 EDADHP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000418609738 446614276 /nfs/dbraw/zinc/61/42/76/446614276.db2.gz SRBOLCDNQZTBMC-YESZJQIVSA-N 2 3 339.528 1.184 20 0 EDADHP CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000418609738 446614280 /nfs/dbraw/zinc/61/42/80/446614280.db2.gz SRBOLCDNQZTBMC-YESZJQIVSA-N 2 3 339.528 1.184 20 0 EDADHP CC(C)[C@H]([NH3+])CCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000659444962 452292806 /nfs/dbraw/zinc/29/28/06/452292806.db2.gz KGQYEWWVFVDCAH-QGZVFWFLSA-N 2 3 339.528 1.218 20 0 EDADHP CN1CCN(Cc2ccc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)cc2)CC1 ZINC000647786182 452520979 /nfs/dbraw/zinc/52/09/79/452520979.db2.gz JXANWNZICYCDAJ-NJDAHSKKSA-N 2 3 342.531 1.912 20 0 EDADHP O=C(CN1CCC[C@H](C2CC[NH2+]CC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000662294191 453017055 /nfs/dbraw/zinc/01/70/55/453017055.db2.gz PQOGWWBFCJWBRM-KRWDZBQOSA-N 2 3 348.535 1.441 20 0 EDADHP C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)CC2)CC1 ZINC000891463437 591080235 /nfs/dbraw/zinc/08/02/35/591080235.db2.gz XUGZMZLHJQJJBZ-GDBMZVCRSA-N 2 3 337.512 1.114 20 0 EDADHP C[NH+]1CCC(N2CCC(NC(=O)[C@]34CCC[C@H]3[NH2+]CC4)CC2)CC1 ZINC000876742774 597317283 /nfs/dbraw/zinc/31/72/83/597317283.db2.gz SUMJFEAGSPBSEW-MJGOQNOKSA-N 2 3 334.508 1.193 20 0 EDADHP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000418604696 446611037 /nfs/dbraw/zinc/61/10/37/446611037.db2.gz YALSUTSGXGXPBH-BRWVUGGUSA-N 2 3 339.528 1.042 20 0 EDADHP CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000418604696 446611041 /nfs/dbraw/zinc/61/10/41/446611041.db2.gz YALSUTSGXGXPBH-BRWVUGGUSA-N 2 3 339.528 1.042 20 0 EDADHP C[C@H]([NH3+])[C@@H](Cc1ccccc1)Nc1cc(N2CC[NH2+]CC2)ccn1 ZINC000635013570 451649364 /nfs/dbraw/zinc/64/93/64/451649364.db2.gz ZJYSIBYFPDLCBS-MAUKXSAKSA-N 2 3 325.460 1.862 20 0 EDADHP C[C@@H](CN(C)CCC[NH+](C)C)NC1CC[NH+](CC(C)(C)O)CC1 ZINC000639307049 451818088 /nfs/dbraw/zinc/81/80/88/451818088.db2.gz MDAFWSYGRHRBFE-INIZCTEOSA-N 2 3 328.545 1.083 20 0 EDADHP CN1CCN(Cc2ccc(C[NH2+]CC3CC[NH+](C)CC3)cc2)CC1 ZINC000892576285 591079278 /nfs/dbraw/zinc/07/92/78/591079278.db2.gz ASXJEQIMRLWYKQ-UHFFFAOYSA-N 2 3 330.520 1.865 20 0 EDADHP c1nnn([C@@H]2CCC[NH2+]C2)c1CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000903917754 592390293 /nfs/dbraw/zinc/39/02/93/592390293.db2.gz NBONSBTVOIRXKQ-GVDBMIGSSA-N 2 3 332.496 1.414 20 0 EDADHP CN(C)CCN(CC[NH+](C)C)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000564553298 306360433 /nfs/dbraw/zinc/36/04/33/306360433.db2.gz OYJAOYPWWVYZDX-UHFFFAOYSA-N 2 3 341.544 1.434 20 0 EDADHP C[NH+]1CCC(O)(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CC1 ZINC000272623093 443386428 /nfs/dbraw/zinc/38/64/28/443386428.db2.gz YMIXWNHDSYOOBU-HSALFYBXSA-N 2 3 343.515 1.943 20 0 EDADHP CC[C@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)[C@@H]1CCCCN1 ZINC000423168660 446446464 /nfs/dbraw/zinc/44/64/64/446446464.db2.gz HOPSCDUWAOLRBV-ROUUACIJSA-N 2 3 338.540 1.293 20 0 EDADHP CN(C)CCNC(=O)c1ccc(C[NH2+]C2CCC(C[NH3+])CC2)cc1 ZINC000422915045 447771175 /nfs/dbraw/zinc/77/11/75/447771175.db2.gz WVXQONWCDZONCJ-UHFFFAOYSA-N 2 3 332.492 1.585 20 0 EDADHP COCC[N@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)CC1CCN(C)CC1 ZINC000903776801 592319635 /nfs/dbraw/zinc/31/96/35/592319635.db2.gz WFBOUVSTZPRTGN-SFHVURJKSA-N 2 3 339.524 1.435 20 0 EDADHP COCC[N@@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)CC1CCN(C)CC1 ZINC000903776801 592319640 /nfs/dbraw/zinc/31/96/40/592319640.db2.gz WFBOUVSTZPRTGN-SFHVURJKSA-N 2 3 339.524 1.435 20 0 EDADHP Cc1c(C[C@@H](C[NH3+])CN2CCC([C@H]3CCC[NH2+]C3)CC2)cnn1C ZINC000903931425 592384307 /nfs/dbraw/zinc/38/43/07/592384307.db2.gz DHPSVOLWSSZECY-WMZOPIPTSA-N 2 3 333.524 1.558 20 0 EDADHP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H](N)CC2CCCCC2)C[C@H]1C[NH+](C)C ZINC000877144408 597442305 /nfs/dbraw/zinc/44/23/05/597442305.db2.gz LXWKRDHIOUFPIK-KURKYZTESA-N 2 3 338.540 1.482 20 0 EDADHP CC(C)CC[NH+]1CCC(C[NH2+]C[C@H]2CCCN(C(=O)CN)C2)CC1 ZINC000415080320 304158071 /nfs/dbraw/zinc/15/80/71/304158071.db2.gz JISPLHOHRVFRGZ-GOSISDBHSA-N 2 3 338.540 1.531 20 0 EDADHP C[C@@H]1[C@@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CCCN1C ZINC000345755385 143129403 /nfs/dbraw/zinc/12/94/03/143129403.db2.gz RYHXOSIWCCQREY-SJORKVTESA-N 2 3 341.544 1.384 20 0 EDADHP CCOC(=O)C1([C@@H](C)NCC2([NH3+])CCCCCC2)CC[NH2+]CC1 ZINC000423197901 446451284 /nfs/dbraw/zinc/45/12/84/446451284.db2.gz BWFZGEIQISVZDM-OAHLLOKOSA-N 2 3 325.497 1.949 20 0 EDADHP N[C@H]1CCCCC[C@@H]1[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000422843180 447766955 /nfs/dbraw/zinc/76/69/55/447766955.db2.gz HHNKKVKIEUZCHC-OALUTQOASA-N 2 3 331.508 1.843 20 0 EDADHP CC[C@@H](NCCCN1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422843330 447767074 /nfs/dbraw/zinc/76/70/74/447767074.db2.gz HWRKYXAWPLFOFN-MOPGFXCFSA-N 2 3 331.508 1.714 20 0 EDADHP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000531798465 448146750 /nfs/dbraw/zinc/14/67/50/448146750.db2.gz WJBIHKAMTQXMRE-QGZVFWFLSA-N 2 3 341.544 1.099 20 0 EDADHP CC(C)C[N@H+]1CC[C@H](CNC(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000531798465 448146754 /nfs/dbraw/zinc/14/67/54/448146754.db2.gz WJBIHKAMTQXMRE-QGZVFWFLSA-N 2 3 341.544 1.099 20 0 EDADHP CCOC(=O)C1([C@H](C)NCc2ccc(C[NH3+])cc2F)CC[NH2+]CC1 ZINC000593323575 449226522 /nfs/dbraw/zinc/22/65/22/449226522.db2.gz QGYVDGLGAUXQJA-ZDUSSCGKSA-N 2 3 337.439 1.695 20 0 EDADHP CCOC(=O)C1([C@H](C)[NH2+]CC[C@H](N)Cc2ccccc2)CC[NH2+]CC1 ZINC000602018439 449278006 /nfs/dbraw/zinc/27/80/06/449278006.db2.gz BUJRPBXVQICVEN-WMZOPIPTSA-N 2 3 347.503 1.858 20 0 EDADHP CCOC(=O)C1([C@H](C)NCC[C@H]([NH3+])Cc2ccccc2)CC[NH2+]CC1 ZINC000602018439 449278010 /nfs/dbraw/zinc/27/80/10/449278010.db2.gz BUJRPBXVQICVEN-WMZOPIPTSA-N 2 3 347.503 1.858 20 0 EDADHP c1cc(N2CCNCC2)oc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000904351486 592237171 /nfs/dbraw/zinc/23/71/71/592237171.db2.gz ZUZMLPKLKFIAJG-DLBZAZTESA-N 2 3 332.492 1.901 20 0 EDADHP c1cc(N2CCNCC2)oc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000904351486 592237174 /nfs/dbraw/zinc/23/71/74/592237174.db2.gz ZUZMLPKLKFIAJG-DLBZAZTESA-N 2 3 332.492 1.901 20 0 EDADHP Cc1c(C[C@H](C[NH3+])CN2CCC([C@@H]3CCC[NH2+]C3)CC2)cnn1C ZINC000903931424 592384026 /nfs/dbraw/zinc/38/40/26/592384026.db2.gz DHPSVOLWSSZECY-SJLPKXTDSA-N 2 3 333.524 1.558 20 0 EDADHP C[N@@H+]1CCCN(CCC[NH2+]C2CCN(c3ccncc3)CC2)CC1 ZINC000820810050 593895168 /nfs/dbraw/zinc/89/51/68/593895168.db2.gz NSJBTCKYUZXNIS-UHFFFAOYSA-N 2 3 331.508 1.668 20 0 EDADHP C[N@H+]1CCCN(CCC[NH2+]C2CCN(c3ccncc3)CC2)CC1 ZINC000820810050 593895169 /nfs/dbraw/zinc/89/51/69/593895169.db2.gz NSJBTCKYUZXNIS-UHFFFAOYSA-N 2 3 331.508 1.668 20 0 EDADHP C[NH+]1CCC(CNC(=O)[C@@H]2C[C@@H]([NH3+])C2(C)C)(N2CCCCC2)CC1 ZINC000876784823 597339506 /nfs/dbraw/zinc/33/95/06/597339506.db2.gz KZZZRRZNWQHDBE-JKSUJKDBSA-N 2 3 336.524 1.426 20 0 EDADHP C[C@@H]([NH3+])C[C@@H](C)NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000423191454 304889039 /nfs/dbraw/zinc/88/90/39/304889039.db2.gz SYMWCIAHIMJZFU-HUUCEWRRSA-N 2 3 332.492 1.599 20 0 EDADHP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(Cc3ccc(N4CC[NH2+]CC4)o3)C2)C1 ZINC000904373427 592240829 /nfs/dbraw/zinc/24/08/29/592240829.db2.gz DOOCQLDHDWXNIO-NUJGCVRESA-N 2 3 348.491 1.408 20 0 EDADHP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C1CCN(C2CC2)CC1 ZINC000426421183 254491049 /nfs/dbraw/zinc/49/10/49/254491049.db2.gz OREZWACHKLGPKP-UHFFFAOYSA-N 2 3 338.540 1.593 20 0 EDADHP C[NH+](C)[C@@H]1CCCN(C[C@@H](O)CN2CCC[C@H]([NH+](C)C)CC2)CC1 ZINC000373899148 157054692 /nfs/dbraw/zinc/05/46/92/157054692.db2.gz UTJZBBJTXUIIEX-REPLKXPHSA-N 2 3 340.556 1.180 20 0 EDADHP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420371843 446550796 /nfs/dbraw/zinc/55/07/96/446550796.db2.gz DPDQZOPCJQKDPH-FUMNGEBKSA-N 2 3 347.503 1.136 20 0 EDADHP N[C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420371843 446550802 /nfs/dbraw/zinc/55/08/02/446550802.db2.gz DPDQZOPCJQKDPH-FUMNGEBKSA-N 2 3 347.503 1.136 20 0 EDADHP C[C@H]1CN(C)CC[C@@H]1[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000423577729 446585291 /nfs/dbraw/zinc/58/52/91/446585291.db2.gz SQHXNPLHJGLPJA-HKUYNNGSSA-N 2 3 330.520 1.910 20 0 EDADHP C[NH+](C)C[C@@H]1CN(C(=O)Nc2ccccc2CN)C[C@H]1C[NH+](C)C ZINC000904627151 592298632 /nfs/dbraw/zinc/29/86/32/592298632.db2.gz WMWUJCOYXLMESN-HZPDHXFCSA-N 2 3 333.480 1.348 20 0 EDADHP NCc1cn(-c2cccc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)c2)nn1 ZINC000873215960 597230485 /nfs/dbraw/zinc/23/04/85/597230485.db2.gz HNTHNHVPODARKU-GUDVDZBRSA-N 2 3 340.475 1.736 20 0 EDADHP CC(C)C[NH+]1CCC(NC(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC000524936890 305821156 /nfs/dbraw/zinc/82/11/56/305821156.db2.gz FYSRAXRILMKCHO-UHFFFAOYSA-N 2 3 341.544 1.242 20 0 EDADHP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CN[C@H]3CCC[C@H]([NH3+])C3)c2)C1 ZINC000582013525 322245634 /nfs/dbraw/zinc/24/56/34/322245634.db2.gz OIULNMHNOJXEKO-QYZOEREBSA-N 2 3 344.503 1.743 20 0 EDADHP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CN[C@H]3CCC[C@H]([NH3+])C3)c2)C1 ZINC000582013525 322245635 /nfs/dbraw/zinc/24/56/35/322245635.db2.gz OIULNMHNOJXEKO-QYZOEREBSA-N 2 3 344.503 1.743 20 0 EDADHP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H](NCCN4CC[NH2+]CC4)[C@H]3C2)cc1 ZINC000423207928 446452962 /nfs/dbraw/zinc/45/29/62/446452962.db2.gz SMBFFHNNAWSZJS-PCCBWWKXSA-N 2 3 342.531 1.782 20 0 EDADHP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H](NCCN4CC[NH2+]CC4)[C@H]3C2)cc1 ZINC000423207928 446452971 /nfs/dbraw/zinc/45/29/71/446452971.db2.gz SMBFFHNNAWSZJS-PCCBWWKXSA-N 2 3 342.531 1.782 20 0 EDADHP [NH3+]C[C@H](CN1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)c1ccc(F)cc1 ZINC000333582456 141340411 /nfs/dbraw/zinc/34/04/11/141340411.db2.gz OBBZFFSPNHPWQJ-NXHRZFHOSA-N 2 3 333.451 1.568 20 0 EDADHP NC[C@H](C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)c1ccc(F)cc1 ZINC000333582456 141340412 /nfs/dbraw/zinc/34/04/12/141340412.db2.gz OBBZFFSPNHPWQJ-NXHRZFHOSA-N 2 3 333.451 1.568 20 0 EDADHP NC[C@H](C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)c1ccc(F)cc1 ZINC000333582456 141340413 /nfs/dbraw/zinc/34/04/13/141340413.db2.gz OBBZFFSPNHPWQJ-NXHRZFHOSA-N 2 3 333.451 1.568 20 0 EDADHP C[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1cccc(OCCN(C)C)c1 ZINC000151821099 442125478 /nfs/dbraw/zinc/12/54/78/442125478.db2.gz JCPUUUCZEWMJSJ-KRWDZBQOSA-N 2 3 349.519 1.982 20 0 EDADHP CC(C)[C@H](C[NH3+])CN1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000634997844 451642307 /nfs/dbraw/zinc/64/23/07/451642307.db2.gz URJNEINCXKXNJP-HZPDHXFCSA-N 2 3 334.512 1.230 20 0 EDADHP CC1(C)C[NH2+]CC[C@@H](NCc2ccc(CN3CC[NH2+]CC3)cc2)C1 ZINC000902402752 591991036 /nfs/dbraw/zinc/99/10/36/591991036.db2.gz DVNUCBXHWCOQKZ-LJQANCHMSA-N 2 3 330.520 1.960 20 0 EDADHP c1cc(N2CCNCC2)oc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000904351492 592237021 /nfs/dbraw/zinc/23/70/21/592237021.db2.gz ZUZMLPKLKFIAJG-SJORKVTESA-N 2 3 332.492 1.901 20 0 EDADHP c1cc(N2CCNCC2)oc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000904351492 592237022 /nfs/dbraw/zinc/23/70/22/592237022.db2.gz ZUZMLPKLKFIAJG-SJORKVTESA-N 2 3 332.492 1.901 20 0 EDADHP [NH3+][C@@H]1CCO[C@H](C2CCN(Cc3ccc(N4CC[NH2+]CC4)o3)CC2)C1 ZINC000904372274 592239794 /nfs/dbraw/zinc/23/97/94/592239794.db2.gz AFVUNMRBWHZFTJ-AEFFLSMTSA-N 2 3 348.491 1.408 20 0 EDADHP NCC(=O)N1CCC[C@@H](C[NH+]2CCC([C@@H]3CCC[NH2+]CC3)CC2)C1 ZINC000904417001 592252551 /nfs/dbraw/zinc/25/25/51/592252551.db2.gz WMFNUNPJUSZCGH-DLBZAZTESA-N 2 3 336.524 1.285 20 0 EDADHP Cc1ncc(C[NH2+]C[C@H]2CCCN2C(=O)C2([NH+](C)C)CCC2)cn1 ZINC001034957155 711428442 /nfs/dbraw/zinc/42/84/42/711428442.db2.gz KIIZSNHFTKRRLP-MRXNPFEDSA-N 2 3 331.464 1.350 20 0 EDADHP O=C(NC[C@@H]1CCC[N@H+](CCCN2CCCCC2)C1)[C@@H]1CCC[NH2+]1 ZINC000420309323 446471907 /nfs/dbraw/zinc/47/19/07/446471907.db2.gz DWLHMEJDCWPJII-ROUUACIJSA-N 2 3 336.524 1.443 20 0 EDADHP O=C(NC[C@@H]1CCC[N@@H+](CCCN2CCCCC2)C1)[C@@H]1CCC[NH2+]1 ZINC000420309323 446471912 /nfs/dbraw/zinc/47/19/12/446471912.db2.gz DWLHMEJDCWPJII-ROUUACIJSA-N 2 3 336.524 1.443 20 0 EDADHP O[C@@H]1CCN(Cc2ccccc2C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647794195 452526509 /nfs/dbraw/zinc/52/65/09/452526509.db2.gz UCLPZWRRRZIRGE-IJXRJRJASA-N 2 3 329.488 1.731 20 0 EDADHP [NH3+]CCCC[C@@H](NCCN1CC[NH2+]CC1)c1ccc(F)cc1F ZINC000902391104 591989929 /nfs/dbraw/zinc/98/99/29/591989929.db2.gz UFLWZZOGCCPLDP-QGZVFWFLSA-N 2 3 326.435 1.630 20 0 EDADHP C[N@@H+]1CC[C@@H](CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)C1 ZINC000849069873 595477457 /nfs/dbraw/zinc/47/74/57/595477457.db2.gz YUZJHVWTFFFHNL-KRWDZBQOSA-N 2 3 329.492 1.717 20 0 EDADHP C[N@H+]1CC[C@@H](CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)C1 ZINC000849069873 595477459 /nfs/dbraw/zinc/47/74/59/595477459.db2.gz YUZJHVWTFFFHNL-KRWDZBQOSA-N 2 3 329.492 1.717 20 0 EDADHP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000422720268 447728031 /nfs/dbraw/zinc/72/80/31/447728031.db2.gz ZAUIBGUZLJBCKZ-LJQANCHMSA-N 2 3 334.508 1.278 20 0 EDADHP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CN[C@H]3CCC[C@H]3C[NH3+])c2)C1 ZINC000422886883 447770230 /nfs/dbraw/zinc/77/02/30/447770230.db2.gz JWEJQTLNVCLWOL-OTWHNJEPSA-N 2 3 344.503 1.601 20 0 EDADHP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CN[C@H]3CCC[C@H]3C[NH3+])c2)C1 ZINC000422886883 447770234 /nfs/dbraw/zinc/77/02/34/447770234.db2.gz JWEJQTLNVCLWOL-OTWHNJEPSA-N 2 3 344.503 1.601 20 0 EDADHP CCN1CC[NH+](CCCC[NH2+]C2CCN(CC(C)(C)O)CC2)CC1 ZINC000638361223 451460085 /nfs/dbraw/zinc/46/00/85/451460085.db2.gz ZPSMQMNZECGTJP-UHFFFAOYSA-N 2 3 340.556 1.229 20 0 EDADHP [NH3+]CCCCCCC[N@@H+]1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000852765765 595533665 /nfs/dbraw/zinc/53/36/65/595533665.db2.gz RXAKYAMDFPCGKC-QGZVFWFLSA-N 2 3 348.539 1.908 20 0 EDADHP [NH3+]CCCCCCC[N@H+]1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000852765765 595533666 /nfs/dbraw/zinc/53/36/66/595533666.db2.gz RXAKYAMDFPCGKC-QGZVFWFLSA-N 2 3 348.539 1.908 20 0 EDADHP CN(C)CCN(CC[NH+](C)C)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000153875498 287633905 /nfs/dbraw/zinc/63/39/05/287633905.db2.gz GOKCEFSKWGEZBS-UHFFFAOYSA-N 2 3 341.544 1.384 20 0 EDADHP C[NH+]1CCC(O)(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000272623102 443386102 /nfs/dbraw/zinc/38/61/02/443386102.db2.gz YMIXWNHDSYOOBU-XUVXKRRUSA-N 2 3 343.515 1.943 20 0 EDADHP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000418548268 446589020 /nfs/dbraw/zinc/58/90/20/446589020.db2.gz ZEMTULRAJDOBFZ-BRWVUGGUSA-N 2 3 339.528 1.184 20 0 EDADHP CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000418548268 446589024 /nfs/dbraw/zinc/58/90/24/446589024.db2.gz ZEMTULRAJDOBFZ-BRWVUGGUSA-N 2 3 339.528 1.184 20 0 EDADHP C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000663680264 452416556 /nfs/dbraw/zinc/41/65/56/452416556.db2.gz DXNILOGINFWCCE-BBWFWOEESA-N 2 3 339.528 1.184 20 0 EDADHP C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000663680264 452416561 /nfs/dbraw/zinc/41/65/61/452416561.db2.gz DXNILOGINFWCCE-BBWFWOEESA-N 2 3 339.528 1.184 20 0 EDADHP C[C@@H](C[NH+](C)CCCN(C)C)NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000663680264 452416562 /nfs/dbraw/zinc/41/65/62/452416562.db2.gz DXNILOGINFWCCE-BBWFWOEESA-N 2 3 339.528 1.184 20 0 EDADHP C[C@@H](C[NH+](C)CCCN(C)C)NC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000663680264 452416565 /nfs/dbraw/zinc/41/65/65/452416565.db2.gz DXNILOGINFWCCE-BBWFWOEESA-N 2 3 339.528 1.184 20 0 EDADHP C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@@H]4[NH2+]CC[C@H]43)CC2)CC1 ZINC000891459551 591078501 /nfs/dbraw/zinc/07/85/01/591078501.db2.gz AXGWLPXJEAWJEY-ZWKOTPCHSA-N 2 3 349.523 1.081 20 0 EDADHP Cc1c(C[C@@H](C[NH3+])CN2CCC([C@@H]3CCC[NH2+]C3)CC2)cnn1C ZINC000903931423 592383511 /nfs/dbraw/zinc/38/35/11/592383511.db2.gz DHPSVOLWSSZECY-FUHWJXTLSA-N 2 3 333.524 1.558 20 0 EDADHP c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]CCN4CC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000414869579 447336628 /nfs/dbraw/zinc/33/66/28/447336628.db2.gz RKLRXDJABRADJZ-ZCNNSNEGSA-N 2 3 328.504 1.392 20 0 EDADHP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](NCCN4CC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000414869579 447336634 /nfs/dbraw/zinc/33/66/34/447336634.db2.gz RKLRXDJABRADJZ-ZCNNSNEGSA-N 2 3 328.504 1.392 20 0 EDADHP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](NCCN4CC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000414869579 447336639 /nfs/dbraw/zinc/33/66/39/447336639.db2.gz RKLRXDJABRADJZ-ZCNNSNEGSA-N 2 3 328.504 1.392 20 0 EDADHP C[C@@H]([NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1)C1CC[NH+](C)CC1 ZINC000090038791 491198760 /nfs/dbraw/zinc/19/87/60/491198760.db2.gz YNOMTGONFUUTIE-MRXNPFEDSA-N 2 3 346.519 1.798 20 0 EDADHP C[C@H](O)C[NH+]1CCC(CN(C)C[C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000424303687 252194601 /nfs/dbraw/zinc/19/46/01/252194601.db2.gz OQDWMJMBEIDZSO-MAUKXSAKSA-N 2 3 337.483 1.893 20 0 EDADHP CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000418341463 446507391 /nfs/dbraw/zinc/50/73/91/446507391.db2.gz OVEDQEZYHPDMHN-SJORKVTESA-N 2 3 339.528 1.044 20 0 EDADHP CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000418341463 446507399 /nfs/dbraw/zinc/50/73/99/446507399.db2.gz OVEDQEZYHPDMHN-SJORKVTESA-N 2 3 339.528 1.044 20 0 EDADHP Cc1nc(NCC2CC[NH+](C)CC2)cc(NCC2CC[NH+](C)CC2)n1 ZINC000577063757 448203476 /nfs/dbraw/zinc/20/34/76/448203476.db2.gz FPZQKQQQTKOZRN-UHFFFAOYSA-N 2 3 346.523 2.292 20 0 EDADHP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000569337553 449005888 /nfs/dbraw/zinc/00/58/88/449005888.db2.gz GOMUVAVGGXPUBT-HRCADAONSA-N 2 3 327.517 1.170 20 0 EDADHP CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000569337553 449005892 /nfs/dbraw/zinc/00/58/92/449005892.db2.gz GOMUVAVGGXPUBT-HRCADAONSA-N 2 3 327.517 1.170 20 0 EDADHP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659623462 452480554 /nfs/dbraw/zinc/48/05/54/452480554.db2.gz HKWMEPVFIIHDES-IAGOWNOFSA-N 2 3 341.544 1.417 20 0 EDADHP CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659623462 452480559 /nfs/dbraw/zinc/48/05/59/452480559.db2.gz HKWMEPVFIIHDES-IAGOWNOFSA-N 2 3 341.544 1.417 20 0 EDADHP C[NH+](C)CCNC(=O)c1cccc(CN[C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000422904554 252018530 /nfs/dbraw/zinc/01/85/30/252018530.db2.gz GYDXROCOAMRYQB-QZTJIDSGSA-N 2 3 332.492 1.585 20 0 EDADHP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420371847 446551473 /nfs/dbraw/zinc/55/14/73/446551473.db2.gz DPDQZOPCJQKDPH-FYQPLNBISA-N 2 3 347.503 1.136 20 0 EDADHP N[C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420371847 446551478 /nfs/dbraw/zinc/55/14/78/446551478.db2.gz DPDQZOPCJQKDPH-FYQPLNBISA-N 2 3 347.503 1.136 20 0 EDADHP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000423033489 447795269 /nfs/dbraw/zinc/79/52/69/447795269.db2.gz OMHFKYZYMDSDIK-KNTRFNDTSA-N 2 3 347.503 1.485 20 0 EDADHP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000423033489 447795275 /nfs/dbraw/zinc/79/52/75/447795275.db2.gz OMHFKYZYMDSDIK-KNTRFNDTSA-N 2 3 347.503 1.485 20 0 EDADHP NC(=O)C1CC[NH+](Cc2ccc(CN[C@H]3CCC[C@H]([NH3+])C3)cc2)CC1 ZINC000568248700 448844855 /nfs/dbraw/zinc/84/48/55/448844855.db2.gz YBRXXZLOMLSENG-OALUTQOASA-N 2 3 344.503 1.743 20 0 EDADHP O=C(CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000649417907 452079347 /nfs/dbraw/zinc/07/93/47/452079347.db2.gz NVGTZNROTSXQAD-IAGOWNOFSA-N 2 3 348.535 1.441 20 0 EDADHP CC[NH+]1CCC(NC(=O)CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC000649417987 452080737 /nfs/dbraw/zinc/08/07/37/452080737.db2.gz SZZPVPDOHLHLBZ-IRXDYDNUSA-N 2 3 336.524 1.299 20 0 EDADHP N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652363571 452545783 /nfs/dbraw/zinc/54/57/83/452545783.db2.gz IFBPJFGDEJVHNR-RMMWZPCPSA-N 2 3 347.503 1.278 20 0 EDADHP N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652363571 452545788 /nfs/dbraw/zinc/54/57/88/452545788.db2.gz IFBPJFGDEJVHNR-RMMWZPCPSA-N 2 3 347.503 1.278 20 0 EDADHP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652363571 452545797 /nfs/dbraw/zinc/54/57/97/452545797.db2.gz IFBPJFGDEJVHNR-RMMWZPCPSA-N 2 3 347.503 1.278 20 0 EDADHP NCc1cn(-c2cccc(C[NH2+]Cc3cccc4c3CC[NH2+]C4)c2)nn1 ZINC000903938089 592387187 /nfs/dbraw/zinc/38/71/87/592387187.db2.gz ZKDZROQUKCZREC-UHFFFAOYSA-N 2 3 348.454 1.662 20 0 EDADHP Cc1cccnc1C[NH2+]C[C@H]1CCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001034957236 711428536 /nfs/dbraw/zinc/42/85/36/711428536.db2.gz OQOQZMMAOSAYHS-MRXNPFEDSA-N 2 3 330.476 1.955 20 0 EDADHP C[C@H](C[C@H](C)[NH3+])NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000422886489 252011965 /nfs/dbraw/zinc/01/19/65/252011965.db2.gz JERQUVWZTXTMOD-HDMKZQKVSA-N 2 3 332.492 1.599 20 0 EDADHP C[C@H](C[C@H](C)[NH3+])NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000422886489 252011967 /nfs/dbraw/zinc/01/19/67/252011967.db2.gz JERQUVWZTXTMOD-HDMKZQKVSA-N 2 3 332.492 1.599 20 0 EDADHP Cc1c(C[C@H](C[NH3+])CN2CCC(C[N@@H+](C)C(C)C)CC2)cnn1C ZINC000903886564 592364469 /nfs/dbraw/zinc/36/44/69/592364469.db2.gz QVBABAGTHZSSBR-GOSISDBHSA-N 2 3 335.540 1.898 20 0 EDADHP Cc1c(C[C@H](C[NH3+])CN2CCC(C[N@H+](C)C(C)C)CC2)cnn1C ZINC000903886564 592364474 /nfs/dbraw/zinc/36/44/74/592364474.db2.gz QVBABAGTHZSSBR-GOSISDBHSA-N 2 3 335.540 1.898 20 0 EDADHP [NH3+]Cc1ccc(CN2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000904302441 592472239 /nfs/dbraw/zinc/47/22/39/592472239.db2.gz WILVLBOESBRMTH-ROUUACIJSA-N 2 3 330.476 1.226 20 0 EDADHP CN(CC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)CC(C)(C)C ZINC000825147130 594136174 /nfs/dbraw/zinc/13/61/74/594136174.db2.gz KBBPBGYUKXYLNQ-HZPDHXFCSA-N 2 3 326.529 1.162 20 0 EDADHP CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H]([NH3+])C(C)C ZINC000418382575 446523285 /nfs/dbraw/zinc/52/32/85/446523285.db2.gz MJNJONSQVNFTEG-HOTGVXAUSA-N 2 3 327.517 1.027 20 0 EDADHP CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H]([NH3+])C(C)C ZINC000418382575 446523290 /nfs/dbraw/zinc/52/32/90/446523290.db2.gz MJNJONSQVNFTEG-HOTGVXAUSA-N 2 3 327.517 1.027 20 0 EDADHP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000418548270 446590017 /nfs/dbraw/zinc/59/00/17/446590017.db2.gz ZEMTULRAJDOBFZ-ZACQAIPSSA-N 2 3 339.528 1.184 20 0 EDADHP CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000418548270 446590019 /nfs/dbraw/zinc/59/00/19/446590019.db2.gz ZEMTULRAJDOBFZ-ZACQAIPSSA-N 2 3 339.528 1.184 20 0 EDADHP N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCCC[C@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652363569 452544350 /nfs/dbraw/zinc/54/43/50/452544350.db2.gz IFBPJFGDEJVHNR-DEPCRRQNSA-N 2 3 347.503 1.278 20 0 EDADHP N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCCC[C@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652363569 452544355 /nfs/dbraw/zinc/54/43/55/452544355.db2.gz IFBPJFGDEJVHNR-DEPCRRQNSA-N 2 3 347.503 1.278 20 0 EDADHP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCCC[C@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652363569 452544360 /nfs/dbraw/zinc/54/43/60/452544360.db2.gz IFBPJFGDEJVHNR-DEPCRRQNSA-N 2 3 347.503 1.278 20 0 EDADHP CCN1CCC[C@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C1 ZINC000339948433 535574748 /nfs/dbraw/zinc/57/47/48/535574748.db2.gz ZKFRUKVVHGQHAP-KRWDZBQOSA-N 2 3 341.544 1.386 20 0 EDADHP C(C[NH+]1CCCC1)OC1CCN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903740063 592302178 /nfs/dbraw/zinc/30/21/78/592302178.db2.gz CKABHRPWEXUPEL-MOPGFXCFSA-N 2 3 337.508 1.332 20 0 EDADHP Cc1c(C[C@H](C[NH3+])CN2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cnn1C ZINC000903931169 592383655 /nfs/dbraw/zinc/38/36/55/592383655.db2.gz ADDCQGNPKMQVDY-LULLPPNCSA-N 2 3 349.523 1.207 20 0 EDADHP C[C@@H](C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)N1[C@H](C)CC[C@H]1C ZINC000870023480 596713332 /nfs/dbraw/zinc/71/33/32/596713332.db2.gz ZXFRBFJZOWYRRY-UYTYNIKBSA-N 2 3 338.540 1.446 20 0 EDADHP C[C@@H](O)C[NH+]1CCC(CN(C)C[C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000424303688 252193394 /nfs/dbraw/zinc/19/33/94/252193394.db2.gz OQDWMJMBEIDZSO-QAPCUYQASA-N 2 3 337.483 1.893 20 0 EDADHP c1ccc(C(CN2C[C@H]3C[NH2+]C[C@H]3C2)CN2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000639457489 451878102 /nfs/dbraw/zinc/87/81/02/451878102.db2.gz UBJRSQYOANKRPE-FGYAAKKASA-N 2 3 340.515 1.073 20 0 EDADHP