smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[N@H+]1CC2(C[C@@H]1C(=O)NCc1ccc(C)o1)CC[NH+](C)CC2 ZINC000072458295 203228148 /nfs/dbraw/zinc/22/81/48/203228148.db2.gz KBOOPBTUWHEUHT-QGZVFWFLSA-N 2 1 333.476 2.401 50 0 EEAAMP Cc1cc(N2CCC(c3[nH+]ccn3Cc3cccnc3)CC2)nc(N)[nH+]1 ZINC000091997835 462917867 /nfs/dbraw/zinc/91/78/67/462917867.db2.gz UPDIDHNPOVDVEP-UHFFFAOYSA-N 2 1 349.442 2.391 50 0 EEAAMP Cc1ccc(NC(=O)C[NH+](C)C)cc1NC(=O)C[N@H+](C)C1CCCC1 ZINC000952981900 796144486 /nfs/dbraw/zinc/14/44/86/796144486.db2.gz MYLNMWKYIVBXGP-UHFFFAOYSA-N 2 1 346.475 2.308 50 0 EEAAMP Cc1ccc(NC(=O)C[NH+](C)C)cc1NC(=O)C[N@@H+](C)C1CCCC1 ZINC000952981900 796144488 /nfs/dbraw/zinc/14/44/88/796144488.db2.gz MYLNMWKYIVBXGP-UHFFFAOYSA-N 2 1 346.475 2.308 50 0 EEAAMP [NH3+]CC[NH2+]CCOCCOc1ccc(Cl)cc1Br ZINC000020118033 202033004 /nfs/dbraw/zinc/03/30/04/202033004.db2.gz YLSPGEUUQMGGAN-UHFFFAOYSA-N 2 1 337.645 2.046 50 0 EEAAMP [NH3+][C@H](Cc1ccccc1)C(=O)N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000071776544 202353563 /nfs/dbraw/zinc/35/35/63/202353563.db2.gz HKMUTSMHOIVUSX-GOSISDBHSA-N 2 1 343.496 2.352 50 0 EEAAMP C[NH+](C)CCN1C(=O)CC[C@@H]2C[N@H+](C/C=C/c3ccco3)CC[C@@H]21 ZINC000014986954 462936412 /nfs/dbraw/zinc/93/64/12/462936412.db2.gz URFJLNKSPSEUKG-JVEBIPGUSA-N 2 1 331.460 2.167 50 0 EEAAMP CC[NH+]1CCC(CNc2ncnc3nc(C)cc(C)c32)([NH+](C)C)CC1 ZINC000095390911 463073483 /nfs/dbraw/zinc/07/34/83/463073483.db2.gz RMVKPAOTUKIOBH-UHFFFAOYSA-N 2 1 342.491 2.470 50 0 EEAAMP Cc1cc2c(cn1)CN(C(=O)[C@H]1CCC[N@@H+](C3CC[NH+](C)CC3)C1)C2 ZINC000299783415 689780392 /nfs/dbraw/zinc/78/03/92/689780392.db2.gz ZDZMSQLOSDZJNG-INIZCTEOSA-N 2 1 342.487 2.038 50 0 EEAAMP Cc1cc2c(cn1)CN(C(=O)[C@H]1CCC[N@H+](C3CC[NH+](C)CC3)C1)C2 ZINC000299783415 689780396 /nfs/dbraw/zinc/78/03/96/689780396.db2.gz ZDZMSQLOSDZJNG-INIZCTEOSA-N 2 1 342.487 2.038 50 0 EEAAMP CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3ccccc3)C[C@@H]2CCO)CC1 ZINC000023375467 202103573 /nfs/dbraw/zinc/10/35/73/202103573.db2.gz AEGWBKPDYAPWFE-NRFANRHFSA-N 2 1 345.531 2.428 50 0 EEAAMP Cc1[nH+]ccn1CC[N@@H+](C)Cc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000216056504 241159787 /nfs/dbraw/zinc/15/97/87/241159787.db2.gz WGWCLYABPSQSNQ-UHFFFAOYSA-N 2 1 339.443 2.121 50 0 EEAAMP Cc1[nH+]ccn1CC[N@H+](C)Cc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000216056504 241159795 /nfs/dbraw/zinc/15/97/95/241159795.db2.gz WGWCLYABPSQSNQ-UHFFFAOYSA-N 2 1 339.443 2.121 50 0 EEAAMP COc1ccccc1CNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000014978682 462936093 /nfs/dbraw/zinc/93/60/93/462936093.db2.gz NZLGAWKPEIDQKA-KRWDZBQOSA-N 2 1 345.487 2.118 50 0 EEAAMP COc1ccccc1CNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000014978682 462936099 /nfs/dbraw/zinc/93/60/99/462936099.db2.gz NZLGAWKPEIDQKA-KRWDZBQOSA-N 2 1 345.487 2.118 50 0 EEAAMP CCC[NH+]1CCC(CC(=O)N2CC[NH+](CCn3cccc3)CC2)CC1 ZINC000095379442 463072005 /nfs/dbraw/zinc/07/20/05/463072005.db2.gz CHURRYTYVXUHOT-UHFFFAOYSA-N 2 1 346.519 2.144 50 0 EEAAMP c1ccc(OC2CCCC2)c(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000097680019 463361315 /nfs/dbraw/zinc/36/13/15/463361315.db2.gz WBAJEJPCZUSONJ-SFHVURJKSA-N 2 1 329.488 2.488 50 0 EEAAMP CN(CC[NH+](C)C)C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000110657509 463662073 /nfs/dbraw/zinc/66/20/73/463662073.db2.gz JIXOXLWLOAXZOX-QZTJIDSGSA-N 2 1 332.492 2.273 50 0 EEAAMP C[N@H+](CCCC[NH+]1CCOCC1)Cc1cc(=O)c2ccccc2[nH]1 ZINC000215759126 536335056 /nfs/dbraw/zinc/33/50/56/536335056.db2.gz WIOPEHYIKBDNOT-UHFFFAOYSA-N 2 1 329.444 2.072 50 0 EEAAMP C[N@@H+](CCCC[NH+]1CCOCC1)Cc1cc(=O)c2ccccc2[nH]1 ZINC000215759126 536335058 /nfs/dbraw/zinc/33/50/58/536335058.db2.gz WIOPEHYIKBDNOT-UHFFFAOYSA-N 2 1 329.444 2.072 50 0 EEAAMP c1cn(CCCOc2ccc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cc2)cn1 ZINC000216428779 241192505 /nfs/dbraw/zinc/19/25/05/241192505.db2.gz URSSSUIRUVCADO-HDICACEKSA-N 2 1 326.444 2.003 50 0 EEAAMP c1cn(CCCOc2ccc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cc2)cn1 ZINC000216428779 241192510 /nfs/dbraw/zinc/19/25/10/241192510.db2.gz URSSSUIRUVCADO-HDICACEKSA-N 2 1 326.444 2.003 50 0 EEAAMP NC(=O)c1ccc(OCCC[NH+]2CCC([NH+]3CCCC3)CC2)cc1 ZINC000244718852 243066487 /nfs/dbraw/zinc/06/64/87/243066487.db2.gz LSBKKRWZSVWVGM-UHFFFAOYSA-N 2 1 331.460 2.115 50 0 EEAAMP CSCC(=O)N[C@H]1CC[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000072123832 203165668 /nfs/dbraw/zinc/16/56/68/203165668.db2.gz GSOFFSOHWKNGPC-MSOLQXFVSA-N 2 1 347.528 2.251 50 0 EEAAMP Cc1cc(N2CCCN(C(=O)[C@H]3CCCCC[N@@H+]3C)CC2)cc[nH+]1 ZINC000095356267 463067854 /nfs/dbraw/zinc/06/78/54/463067854.db2.gz BXIVZBLTISOEKT-GOSISDBHSA-N 2 1 330.476 2.303 50 0 EEAAMP Cc1cccc(CC2(NC(=O)[C@@H]3CCC[N@@H+]3C3CC[NH2+]CC3)CC2)c1 ZINC000097636475 463361467 /nfs/dbraw/zinc/36/14/67/463361467.db2.gz YZDJLRHXBRIZNT-IBGZPJMESA-N 2 1 341.499 2.403 50 0 EEAAMP Cc1cccc(CC2(NC(=O)[C@@H]3CCC[N@H+]3C3CC[NH2+]CC3)CC2)c1 ZINC000097636475 463361469 /nfs/dbraw/zinc/36/14/69/463361469.db2.gz YZDJLRHXBRIZNT-IBGZPJMESA-N 2 1 341.499 2.403 50 0 EEAAMP Cc1ccc([C@@H](O)C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1C ZINC000106842811 463541942 /nfs/dbraw/zinc/54/19/42/463541942.db2.gz TWNPZRUJXIKJFW-PXNSSMCTSA-N 2 1 334.504 2.361 50 0 EEAAMP CC[N@H+]1CCC[C@H]1CSc1nnc(C[NH3+])n1-c1ccc(OC)cc1 ZINC000426567137 682024975 /nfs/dbraw/zinc/02/49/75/682024975.db2.gz SUDUNYDHLJEPOE-AWEZNQCLSA-N 2 1 347.488 2.311 50 0 EEAAMP Cc1ccc(NC(=O)C[NH+](C)C)c(NC(=O)C[N@H+](C)C2CCCC2)c1 ZINC000952989883 796159071 /nfs/dbraw/zinc/15/90/71/796159071.db2.gz DRVHSCGROKCRKY-UHFFFAOYSA-N 2 1 346.475 2.308 50 0 EEAAMP Cc1ccc(NC(=O)C[NH+](C)C)c(NC(=O)C[N@@H+](C)C2CCCC2)c1 ZINC000952989883 796159072 /nfs/dbraw/zinc/15/90/72/796159072.db2.gz DRVHSCGROKCRKY-UHFFFAOYSA-N 2 1 346.475 2.308 50 0 EEAAMP C[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)N3CCc4ccccc4C3)C2)CC1 ZINC000071715339 203104636 /nfs/dbraw/zinc/10/46/36/203104636.db2.gz ZTLCTBRSLMAAGT-IBGZPJMESA-N 2 1 341.499 2.378 50 0 EEAAMP C[NH+]1CCC([N@H+]2CCC[C@H](C(=O)N3CCc4ccccc4C3)C2)CC1 ZINC000071715339 203104640 /nfs/dbraw/zinc/10/46/40/203104640.db2.gz ZTLCTBRSLMAAGT-IBGZPJMESA-N 2 1 341.499 2.378 50 0 EEAAMP Cc1ncc2c(c1CNC(=O)[C@H](C)n1cc[nH+]c1C(C)C)CC[NH2+]C2 ZINC000072479453 203233114 /nfs/dbraw/zinc/23/31/14/203233114.db2.gz UDCAOEDCTCUDPK-AWEZNQCLSA-N 2 1 341.459 2.233 50 0 EEAAMP CC[NH+]1CCN(C(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)CC1 ZINC000000785830 462573873 /nfs/dbraw/zinc/57/38/73/462573873.db2.gz CZHVIOMFNXPRMO-UHFFFAOYSA-N 2 1 333.451 2.202 50 0 EEAAMP CN(Cc1ccccc1)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000012596000 462859837 /nfs/dbraw/zinc/85/98/37/462859837.db2.gz DNYUGMXOMMZCPM-SFHVURJKSA-N 2 1 329.488 2.451 50 0 EEAAMP CN(Cc1ccccc1)C(=O)[C@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000012596000 462859843 /nfs/dbraw/zinc/85/98/43/462859843.db2.gz DNYUGMXOMMZCPM-SFHVURJKSA-N 2 1 329.488 2.451 50 0 EEAAMP Cc1cc(N)[nH+]cc1-c1ccc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000426497072 467143190 /nfs/dbraw/zinc/14/31/90/467143190.db2.gz BTSLUSRBQJTXOZ-QGZVFWFLSA-N 2 1 336.439 2.559 50 0 EEAAMP Cc1cc(N)[nH+]cc1-c1ccc(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000426497072 467143191 /nfs/dbraw/zinc/14/31/91/467143191.db2.gz BTSLUSRBQJTXOZ-QGZVFWFLSA-N 2 1 336.439 2.559 50 0 EEAAMP CN(C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000426473564 536025262 /nfs/dbraw/zinc/02/52/62/536025262.db2.gz LHUFOGASILKYAN-LJQANCHMSA-N 2 1 344.503 2.244 50 0 EEAAMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@]2(CCC(=O)N(C3CC3)C2)C1 ZINC000077470286 203390680 /nfs/dbraw/zinc/39/06/80/203390680.db2.gz IUYASXZPCOZJLI-LJQANCHMSA-N 2 1 330.476 2.449 50 0 EEAAMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@]2(CCC(=O)N(C3CC3)C2)C1 ZINC000077470286 203390682 /nfs/dbraw/zinc/39/06/82/203390682.db2.gz IUYASXZPCOZJLI-LJQANCHMSA-N 2 1 330.476 2.449 50 0 EEAAMP C[N@H+](C[C@H](O)CO[C@@H]1CCCc2ccccc21)C1CC[NH+](C)CC1 ZINC000003391513 462617724 /nfs/dbraw/zinc/61/77/24/462617724.db2.gz XQGWLXAHYUIKSO-AZUAARDMSA-N 2 1 332.488 2.468 50 0 EEAAMP C[N@@H+](C[C@H](O)CO[C@@H]1CCCc2ccccc21)C1CC[NH+](C)CC1 ZINC000003391513 462617728 /nfs/dbraw/zinc/61/77/28/462617728.db2.gz XQGWLXAHYUIKSO-AZUAARDMSA-N 2 1 332.488 2.468 50 0 EEAAMP COc1ccc(CNC(=O)[C@H]2CCC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000011844535 462839354 /nfs/dbraw/zinc/83/93/54/462839354.db2.gz VPNWNTHQHWLTBO-KRWDZBQOSA-N 2 1 345.487 2.118 50 0 EEAAMP COc1ccc(CNC(=O)[C@H]2CCC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000011844535 462839360 /nfs/dbraw/zinc/83/93/60/462839360.db2.gz VPNWNTHQHWLTBO-KRWDZBQOSA-N 2 1 345.487 2.118 50 0 EEAAMP COCC[N@@H+](C)C[C@@H]1CN(c2cc[nH+]c3ccc(C)cc32)C[C@@H]1CO ZINC000092001781 462917047 /nfs/dbraw/zinc/91/70/47/462917047.db2.gz QXHDJZGRVFWBTJ-IAGOWNOFSA-N 2 1 343.471 2.166 50 0 EEAAMP COc1ccccc1CNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000014978679 462936026 /nfs/dbraw/zinc/93/60/26/462936026.db2.gz NZLGAWKPEIDQKA-QGZVFWFLSA-N 2 1 345.487 2.118 50 0 EEAAMP COc1ccccc1CNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000014978679 462936033 /nfs/dbraw/zinc/93/60/33/462936033.db2.gz NZLGAWKPEIDQKA-QGZVFWFLSA-N 2 1 345.487 2.118 50 0 EEAAMP C[NH+](C)C[C@H](O)COc1ccc(C[N@@H+](C)C2CCSCC2)cc1 ZINC000095509207 463099125 /nfs/dbraw/zinc/09/91/25/463099125.db2.gz NEVHKWUMHQOZNK-KRWDZBQOSA-N 2 1 338.517 2.315 50 0 EEAAMP CCCCN(Cc1ccncc1)C(=O)[C@@H]1CC2(C[N@H+]1C)CC[NH2+]CC2 ZINC000072421099 463510992 /nfs/dbraw/zinc/51/09/92/463510992.db2.gz TYYFTBZHMCBAPI-SFHVURJKSA-N 2 1 344.503 2.284 50 0 EEAAMP CC(C)(C[NH2+]CCc1nc(-c2cccnc2)n[nH]1)[NH+]1CCCCC1 ZINC000952979703 796127565 /nfs/dbraw/zinc/12/75/65/796127565.db2.gz RGSDAWUZESRYBY-UHFFFAOYSA-N 2 1 328.464 2.263 50 0 EEAAMP Cc1[nH+]ccn1CC1(C[NH2+][C@H]2CCC(=O)N(CC3CC3)CC2)CC1 ZINC001506400087 1114595906 /nfs/dbraw/zinc/59/59/06/1114595906.db2.gz SVCZHJCLFWWWJN-KRWDZBQOSA-N 2 1 330.476 2.352 50 0 EEAAMP CC[NH+]1CCN(C2CC[NH+](Cc3cc(OC)ccc3OC)CC2)CC1 ZINC000019888827 202025750 /nfs/dbraw/zinc/02/57/50/202025750.db2.gz IEZWDEBKNJGRDK-UHFFFAOYSA-N 2 1 347.503 2.306 50 0 EEAAMP COc1cccc(C[N@H+]2CCC[C@H](O)CC2)c1OCCC[NH+](C)C ZINC000216299319 241180354 /nfs/dbraw/zinc/18/03/54/241180354.db2.gz CLBAZOCFYKRYGS-KRWDZBQOSA-N 2 1 336.476 2.373 50 0 EEAAMP COc1cc2c(cc1C[NH+]1CCN(C3CC[NH+](C)CC3)CC1)CCC2 ZINC000216423719 241192158 /nfs/dbraw/zinc/19/21/58/241192158.db2.gz IZAXODLUOHHGCD-UHFFFAOYSA-N 2 1 343.515 2.396 50 0 EEAAMP CC(C)[C@H]1CN(C(=O)C2([NH3+])CC2)CCC[N@H+]1Cc1ccc(F)cc1 ZINC000071422343 203095172 /nfs/dbraw/zinc/09/51/72/203095172.db2.gz SNLIONVUSKYQKZ-QGZVFWFLSA-N 2 1 333.451 2.376 50 0 EEAAMP C[N@H+]1CC2(C[C@@H]1C(=O)NCCc1cccc(Cl)c1)CC[NH2+]CC2 ZINC000072430672 203222790 /nfs/dbraw/zinc/22/27/90/203222790.db2.gz RVNARMHPSRUABH-MRXNPFEDSA-N 2 1 335.879 2.073 50 0 EEAAMP CC(C)([NH3+])C(=O)N1C[C@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000071712036 203103147 /nfs/dbraw/zinc/10/31/47/203103147.db2.gz BEKXEQYBHHGAAY-KBRIMQKVSA-N 2 1 349.425 2.091 50 0 EEAAMP CC(C)([NH3+])C(=O)N1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072156650 203174100 /nfs/dbraw/zinc/17/41/00/203174100.db2.gz BEKXEQYBHHGAAY-IAOVAPTHSA-N 2 1 349.425 2.091 50 0 EEAAMP Cc1cc(N2CCCN(C(=O)[C@@H]3CCCCC[N@@H+]3C)CC2)cc[nH+]1 ZINC000095356266 463068897 /nfs/dbraw/zinc/06/88/97/463068897.db2.gz BXIVZBLTISOEKT-SFHVURJKSA-N 2 1 330.476 2.303 50 0 EEAAMP Cc1ccc(C)c(-c2n[nH]cc2C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000097243891 463353525 /nfs/dbraw/zinc/35/35/25/463353525.db2.gz DICINTIOMJWEMF-GOSISDBHSA-N 2 1 339.487 2.173 50 0 EEAAMP CCN(Cc1ccccc1)C(=O)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H]1C[NH2+]C[C@H]12 ZINC000534579020 468264158 /nfs/dbraw/zinc/26/41/58/468264158.db2.gz BHJVTPNSFGWIRW-QGFMHUBQSA-N 2 1 327.472 2.107 50 0 EEAAMP COc1ccc(C[NH2+]CC2CC2)cc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000014980060 1226385189 /nfs/dbraw/zinc/38/51/89/1226385189.db2.gz IUYUVGRYAUTFFV-KRWDZBQOSA-N 2 1 336.476 2.275 50 0 EEAAMP Cc1c[nH+]ccc1N1CCC[N@@H+](Cc2c(CO)cnc(C)c2O)CC1 ZINC000067804500 215216223 /nfs/dbraw/zinc/21/62/23/215216223.db2.gz DWIAIEVAYIQXKN-UHFFFAOYSA-N 2 1 342.443 2.004 50 0 EEAAMP COC[C@@H]1[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)[C@@H]2CCO[C@H]12 ZINC000218863811 241347940 /nfs/dbraw/zinc/34/79/40/241347940.db2.gz OHNQKZYMOXOLEX-YRPNKDGESA-N 2 1 330.472 2.291 50 0 EEAAMP CC[NH+]1CCN(C(=O)CCC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000020542743 212145271 /nfs/dbraw/zinc/14/52/71/212145271.db2.gz KDHOEJXZGXIPFA-UHFFFAOYSA-N 2 1 344.503 2.238 50 0 EEAAMP Cc1ccc(N2CCC([N@@H+]3C[C@H](CO)[C@H](C[NH+](C)C)C3)CC2)cc1 ZINC000092107401 218120652 /nfs/dbraw/zinc/12/06/52/218120652.db2.gz AHWZUVVCYYGSHR-QZTJIDSGSA-N 2 1 331.504 2.066 50 0 EEAAMP Cc1cc(N2CCN(C(=O)CC[C@H]3CCCC[N@@H+]3C)CC2)cc[nH+]1 ZINC000095357500 218290144 /nfs/dbraw/zinc/29/01/44/218290144.db2.gz DXZKYFMSQWUXDC-QGZVFWFLSA-N 2 1 330.476 2.303 50 0 EEAAMP C[C@H]1C[NH+](Cc2ccc(C(=O)N[C@@H]3CCCC[C@H]3[NH3+])cc2)C[C@H](C)O1 ZINC000128484938 278436094 /nfs/dbraw/zinc/43/60/94/278436094.db2.gz GBIAXVQKBUDJHT-ILRDRHFLSA-N 2 1 345.487 2.296 50 0 EEAAMP COCC[N@H+]1CC[C@H](CNC(=O)CC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000670452061 485648576 /nfs/dbraw/zinc/64/85/76/485648576.db2.gz MJJDUYIECIUGAK-OAHLLOKOSA-N 2 1 339.524 2.018 50 0 EEAAMP CC[C@@H](C(=O)NC1CC[NH+](C2CCSCC2)CC1)[N@@H+](C)CC ZINC000952975856 796119804 /nfs/dbraw/zinc/11/98/04/796119804.db2.gz LQONOHXJWFJNQJ-INIZCTEOSA-N 2 1 327.538 2.193 50 0 EEAAMP C[N@H+]1CCCCC[C@@H]1C(=O)NC1CC[NH+](C2CCSCC2)CC1 ZINC000952988951 796157653 /nfs/dbraw/zinc/15/76/53/796157653.db2.gz ARXANYXVLFCOSF-QGZVFWFLSA-N 2 1 339.549 2.337 50 0 EEAAMP CC[N@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)C[NH2+]C)CC2)C1 ZINC000091694324 218049497 /nfs/dbraw/zinc/04/94/97/218049497.db2.gz UKHQQJWGZZZGJN-SFHVURJKSA-N 2 1 329.488 2.324 50 0 EEAAMP Cc1ccc(N2CCC([N@H+]3CC[C@@]4(O)CC[NH2+]C[C@H]4C3)CC2)cc1 ZINC000091829979 218073352 /nfs/dbraw/zinc/07/33/52/218073352.db2.gz JXFPAEBZMCQKNT-PXNSSMCTSA-N 2 1 329.488 2.010 50 0 EEAAMP CCCCSc1nc(N[C@@H]2COC3(C2)CC[NH2+]CC3)cc(N)[nH+]1 ZINC000095357073 218290829 /nfs/dbraw/zinc/29/08/29/218290829.db2.gz VBTCRMFQEVYQIX-LBPRGKRZSA-N 2 1 337.493 2.274 50 0 EEAAMP CCCCSc1nc(N)cc(N[C@@H]2COC3(C2)CC[NH2+]CC3)[nH+]1 ZINC000095357073 218290832 /nfs/dbraw/zinc/29/08/32/218290832.db2.gz VBTCRMFQEVYQIX-LBPRGKRZSA-N 2 1 337.493 2.274 50 0 EEAAMP C[NH+](C)CCC[N@H+](C)[C@H]1CCCN(C(=O)CCc2ccccc2)C1 ZINC000014968132 462936385 /nfs/dbraw/zinc/93/63/85/462936385.db2.gz KBNZNEUBYCVOGB-IBGZPJMESA-N 2 1 331.504 2.494 50 0 EEAAMP C[NH+](C)CCC[N@@H+](C)[C@H]1CCCN(C(=O)CCc2ccccc2)C1 ZINC000014968132 462936388 /nfs/dbraw/zinc/93/63/88/462936388.db2.gz KBNZNEUBYCVOGB-IBGZPJMESA-N 2 1 331.504 2.494 50 0 EEAAMP O[C@]1(C[NH2+]CCC(c2ccccc2)c2ccccc2)C[NH2+]CCOC1 ZINC000077505774 462996745 /nfs/dbraw/zinc/99/67/45/462996745.db2.gz SUPVXCSXOJCOHD-OAQYLSRUSA-N 2 1 340.467 2.149 50 0 EEAAMP Cc1nn(CCO)c(C)c1C[N@H+]1CCCC[C@@H]1CCn1cc[nH+]c1C ZINC001506396093 1114595353 /nfs/dbraw/zinc/59/53/53/1114595353.db2.gz HNOMFPKNYZPULI-GOSISDBHSA-N 2 1 345.491 2.442 50 0 EEAAMP Cc1nn(CCO)c(C)c1C[N@@H+]1CCCC[C@@H]1CCn1cc[nH+]c1C ZINC001506396093 1114595355 /nfs/dbraw/zinc/59/53/55/1114595355.db2.gz HNOMFPKNYZPULI-GOSISDBHSA-N 2 1 345.491 2.442 50 0 EEAAMP CCC[N@H+]1CC2(C[C@@H]1C(=O)N(C)Cc1cc(C)no1)CC[NH+](C)CC2 ZINC000072475355 216252734 /nfs/dbraw/zinc/25/27/34/216252734.db2.gz CXUPQGACBUYMEM-QGZVFWFLSA-N 2 1 348.491 2.138 50 0 EEAAMP CCc1nc(N2CCC[N@H+](CCC[NH+]3CCCC3)CC2)ncc1C ZINC000426527688 241303876 /nfs/dbraw/zinc/30/38/76/241303876.db2.gz GCYIMXGYLADZHX-UHFFFAOYSA-N 2 1 331.508 2.345 50 0 EEAAMP CCc1nc(N2CCC[N@@H+](CCC[NH+]3CCCC3)CC2)ncc1C ZINC000426527688 241303880 /nfs/dbraw/zinc/30/38/80/241303880.db2.gz GCYIMXGYLADZHX-UHFFFAOYSA-N 2 1 331.508 2.345 50 0 EEAAMP CC[N@H+]1CCC[C@H]1CSc1nnc(C[NH3+])n1Cc1ccccc1 ZINC000426711956 241331414 /nfs/dbraw/zinc/33/14/14/241331414.db2.gz BJILUABZQAGKIP-HNNXBMFYSA-N 2 1 331.489 2.362 50 0 EEAAMP C[NH+](C)[C@@H]1CCC[N@H+](CCC(=O)Nc2nnc(C3CC3)s2)CC1 ZINC000244794917 243085692 /nfs/dbraw/zinc/08/56/92/243085692.db2.gz QWJWENPOGGJTLY-CYBMUJFWSA-N 2 1 337.493 2.160 50 0 EEAAMP C[NH+](C)[C@@H]1CCC[N@@H+](CCC(=O)Nc2nnc(C3CC3)s2)CC1 ZINC000244794917 243085699 /nfs/dbraw/zinc/08/56/99/243085699.db2.gz QWJWENPOGGJTLY-CYBMUJFWSA-N 2 1 337.493 2.160 50 0 EEAAMP Cc1[nH+]ccn1Cc1nnc([C@H]2CCCN(c3cc[nH+]cc3)C2)n1C ZINC000095391876 218323874 /nfs/dbraw/zinc/32/38/74/218323874.db2.gz GEZVAXWUAANQJH-HNNXBMFYSA-N 2 1 337.431 2.147 50 0 EEAAMP CCC[N@H+]1CC2(C[C@@H]1C(=O)N1CCn3cccc3C1)CC[NH+](C)CC2 ZINC000072409958 276257158 /nfs/dbraw/zinc/25/71/58/276257158.db2.gz AOHYXCATAYLLDN-GOSISDBHSA-N 2 1 344.503 2.027 50 0 EEAAMP CSCCC[NH+]1CCC([N@H+]2CCC[C@H](C(=O)NC3CC3)C2)CC1 ZINC000012704798 462863304 /nfs/dbraw/zinc/86/33/04/462863304.db2.gz DOBSPISSVHXDIP-HNNXBMFYSA-N 2 1 339.549 2.195 50 0 EEAAMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C[C@H]([NH3+])c2ccccc2)cc1 ZINC000263372062 464093220 /nfs/dbraw/zinc/09/32/20/464093220.db2.gz YRDWWVPBUIETGB-KRWDZBQOSA-N 2 1 340.427 2.215 50 0 EEAAMP COC[C@@H]1CCC[N@@H+](CCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000252499410 464970944 /nfs/dbraw/zinc/97/09/44/464970944.db2.gz SAFFEYZLWPYYEO-HXUWFJFHSA-N 2 1 331.504 2.163 50 0 EEAAMP [NH3+]Cc1nnc(N2CCC[C@@]3(CCC[N@H+](Cc4ccccc4)C3)C2)o1 ZINC001772709839 1179299727 /nfs/dbraw/zinc/29/97/27/1179299727.db2.gz NUJUJNMCYSDJDC-LJQANCHMSA-N 2 1 341.459 2.411 50 0 EEAAMP [NH3+]Cc1nnc(N2CCC[C@@]3(CCC[N@@H+](Cc4ccccc4)C3)C2)o1 ZINC001772709839 1179299733 /nfs/dbraw/zinc/29/97/33/1179299733.db2.gz NUJUJNMCYSDJDC-LJQANCHMSA-N 2 1 341.459 2.411 50 0 EEAAMP C[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCc4ccccc4C3)C2)CC1 ZINC000071715342 1286228368 /nfs/dbraw/zinc/22/83/68/1286228368.db2.gz ZTLCTBRSLMAAGT-LJQANCHMSA-N 2 1 341.499 2.378 50 0 EEAAMP C[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)N3CCc4ccccc4C3)C2)CC1 ZINC000071715342 1286228377 /nfs/dbraw/zinc/22/83/77/1286228377.db2.gz ZTLCTBRSLMAAGT-LJQANCHMSA-N 2 1 341.499 2.378 50 0 EEAAMP c1coc(CN2CCC([NH+]3CCN(c4cc[nH+]cc4)CC3)CC2)c1 ZINC001506426550 1114603549 /nfs/dbraw/zinc/60/35/49/1114603549.db2.gz PHTDZQMXWUPGFQ-UHFFFAOYSA-N 2 1 326.444 2.461 50 0 EEAAMP O=C1C[N@H+](C[C@H]2[C@@H]3C[NH2+]C[C@H]23)CCN1c1ccccc1-c1ccccc1 ZINC000102381416 219198951 /nfs/dbraw/zinc/19/89/51/219198951.db2.gz UVHHUHZJZCADSQ-PMOLBWCYSA-N 2 1 347.462 2.468 50 0 EEAAMP O=C1C[N@@H+](C[C@H]2[C@@H]3C[NH2+]C[C@H]23)CCN1c1ccccc1-c1ccccc1 ZINC000102381416 219198953 /nfs/dbraw/zinc/19/89/53/219198953.db2.gz UVHHUHZJZCADSQ-PMOLBWCYSA-N 2 1 347.462 2.468 50 0 EEAAMP CCCSc1ncc(C[N@H+]2CCC[C@](O)(C[NH+](C)C)CC2)cn1 ZINC000072151087 216039761 /nfs/dbraw/zinc/03/97/61/216039761.db2.gz GHVUHWGHLOLMRU-QGZVFWFLSA-N 2 1 338.521 2.257 50 0 EEAAMP Cc1cc(CNC(=O)N2CCC[N@@H+](C)C3(CC[NH2+]CC3)C2)ccc1F ZINC000426427937 241283450 /nfs/dbraw/zinc/28/34/50/241283450.db2.gz KHZICLRLNJCEOA-UHFFFAOYSA-N 2 1 348.466 2.103 50 0 EEAAMP Cc1cc(CNC(=O)N2CCC[N@H+](C)C3(CC[NH2+]CC3)C2)ccc1F ZINC000426427937 241283458 /nfs/dbraw/zinc/28/34/58/241283458.db2.gz KHZICLRLNJCEOA-UHFFFAOYSA-N 2 1 348.466 2.103 50 0 EEAAMP CC[NH+]1CCN(C(=O)C2CC[NH+](Cc3ccc(C)cc3)CC2)CC1 ZINC000019823665 212073439 /nfs/dbraw/zinc/07/34/39/212073439.db2.gz UFXCZBJGDWYREO-UHFFFAOYSA-N 2 1 329.488 2.371 50 0 EEAAMP COc1cccc(CN2C[C@H]3CC[C@@H]2C[N@@H+](C)C3)c1OCC[NH+](C)C ZINC000091650762 218039890 /nfs/dbraw/zinc/03/98/90/218039890.db2.gz CVOSAPHNWPMSIT-FUHWJXTLSA-N 2 1 347.503 2.162 50 0 EEAAMP CN1c2ccccc2C2(CC[NH+](CC[C@H]3CCC[N@H+]3C)CC2)C1=O ZINC000072145318 277060151 /nfs/dbraw/zinc/06/01/51/277060151.db2.gz RLMKSKFMHLRVSP-MRXNPFEDSA-N 2 1 327.472 2.481 50 0 EEAAMP C[N@@H+](Cc1ccccc1)C1(C(=O)N2CC[NH2+]CC2)Cc2ccccc2C1 ZINC000072124049 463482826 /nfs/dbraw/zinc/48/28/26/463482826.db2.gz GBNWNZLMKPXZEY-UHFFFAOYSA-N 2 1 349.478 2.088 50 0 EEAAMP COc1ccc(-n2cccn2)c(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000067641766 215172237 /nfs/dbraw/zinc/17/22/37/215172237.db2.gz HJRQAAZGYBDUDS-IBGZPJMESA-N 2 1 326.444 2.456 50 0 EEAAMP COc1ccc(-n2cccn2)c(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000067641766 215172241 /nfs/dbraw/zinc/17/22/41/215172241.db2.gz HJRQAAZGYBDUDS-IBGZPJMESA-N 2 1 326.444 2.456 50 0 EEAAMP [NH3+]C1(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)CCCC1 ZINC000067818029 215220330 /nfs/dbraw/zinc/22/03/30/215220330.db2.gz VQBTVNWZYSVOCC-HNNXBMFYSA-N 2 1 333.451 2.425 50 0 EEAAMP C[C@H](C[N@@H+]1CCC(=O)N(CC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000299755872 258074086 /nfs/dbraw/zinc/07/40/86/258074086.db2.gz DUGGLJPGBBGISZ-GOSISDBHSA-N 2 1 329.488 2.420 50 0 EEAAMP CC(C)[NH+]1CCC(C[N@H+]2CCN(Cc3ccco3)[C@@H](CCO)C2)CC1 ZINC000105984250 463501764 /nfs/dbraw/zinc/50/17/64/463501764.db2.gz XDILVTJSHQXKPC-IBGZPJMESA-N 2 1 349.519 2.269 50 0 EEAAMP Cc1ccccc1[C@@H](C(=O)NCCCOC1CC[NH+](C)CC1)[NH+](C)C ZINC000219229788 564034638 /nfs/dbraw/zinc/03/46/38/564034638.db2.gz IHMMCSVVAUYDGJ-IBGZPJMESA-N 2 1 347.503 2.215 50 0 EEAAMP COCC[N@H+]1CC[C@H](C[NH2+]Cc2cn(C)nc2-c2ccccc2F)C1 ZINC000011771454 798419470 /nfs/dbraw/zinc/41/94/70/798419470.db2.gz GHVPHPWIVLIQDH-OAHLLOKOSA-N 2 1 346.450 2.284 50 0 EEAAMP COc1ccc(C[NH2+]CC[C@@]2(O)C[C@H](C)[N@@H+](C)C[C@H]2C)cc1OC ZINC000004539322 210216027 /nfs/dbraw/zinc/21/60/27/210216027.db2.gz XHIDEXZXYXIKAG-ZRGWGRIASA-N 2 1 336.476 2.275 50 0 EEAAMP C[C@H]1C[N@H+](Cc2ccccc2OCCC[NH+]2CCOCC2)CCCO1 ZINC000216063577 241164448 /nfs/dbraw/zinc/16/44/48/241164448.db2.gz YAAUJYGOFWLUGJ-SFHVURJKSA-N 2 1 348.487 2.399 50 0 EEAAMP C[C@H]1C[N@@H+](Cc2ccccc2OCCC[NH+]2CCOCC2)CCCO1 ZINC000216063577 241164451 /nfs/dbraw/zinc/16/44/51/241164451.db2.gz YAAUJYGOFWLUGJ-SFHVURJKSA-N 2 1 348.487 2.399 50 0 EEAAMP C[NH+]1CCN(C(=O)NCC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000426715794 241330563 /nfs/dbraw/zinc/33/05/63/241330563.db2.gz AQFTZGSPJWUOFN-IBGZPJMESA-N 2 1 344.503 2.388 50 0 EEAAMP C[NH+]1CCN(C(=O)NCC[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000426715794 241330566 /nfs/dbraw/zinc/33/05/66/241330566.db2.gz AQFTZGSPJWUOFN-IBGZPJMESA-N 2 1 344.503 2.388 50 0 EEAAMP C[N@H+]1CC[C@@](C)(C(=O)NCC2(c3ccccc3)CC[NH+](C)CC2)C1 ZINC000584886509 468954913 /nfs/dbraw/zinc/95/49/13/468954913.db2.gz ZXJHCRFHBFFJQJ-LJQANCHMSA-N 2 1 329.488 2.108 50 0 EEAAMP C[NH+](C)[C@H]1CCC[N@H+](CCC(=O)Nc2nnc(C3CC3)s2)CC1 ZINC000244794918 536138243 /nfs/dbraw/zinc/13/82/43/536138243.db2.gz QWJWENPOGGJTLY-ZDUSSCGKSA-N 2 1 337.493 2.160 50 0 EEAAMP C[NH+](C)[C@H]1CCC[N@@H+](CCC(=O)Nc2nnc(C3CC3)s2)CC1 ZINC000244794918 536138246 /nfs/dbraw/zinc/13/82/46/536138246.db2.gz QWJWENPOGGJTLY-ZDUSSCGKSA-N 2 1 337.493 2.160 50 0 EEAAMP CSCC[NH+]1CCC([NH2+][C@@H]2CCC(=O)N(CC3CC3)CC2)CC1 ZINC001506421372 1114601726 /nfs/dbraw/zinc/60/17/26/1114601726.db2.gz HTWDAWIZQOZOMO-MRXNPFEDSA-N 2 1 339.549 2.195 50 0 EEAAMP COCC[N@H+](C)C[C@@H]1C[NH+](Cc2cccc3ccccc32)C[C@@H]1CO ZINC000091391428 218001042 /nfs/dbraw/zinc/00/10/42/218001042.db2.gz WREVEPDWHFHVJC-WOJBJXKFSA-N 2 1 342.483 2.458 50 0 EEAAMP COCC[N@@H+](C)C[C@@H]1C[NH+](Cc2cccc3ccccc32)C[C@@H]1CO ZINC000091391428 218001045 /nfs/dbraw/zinc/00/10/45/218001045.db2.gz WREVEPDWHFHVJC-WOJBJXKFSA-N 2 1 342.483 2.458 50 0 EEAAMP COCC[NH+](C)C[C@@H]1C[N@H+](Cc2cccc3ccccc32)C[C@@H]1CO ZINC000091391428 218001046 /nfs/dbraw/zinc/00/10/46/218001046.db2.gz WREVEPDWHFHVJC-WOJBJXKFSA-N 2 1 342.483 2.458 50 0 EEAAMP COCC[NH+](C)C[C@@H]1C[N@@H+](Cc2cccc3ccccc32)C[C@@H]1CO ZINC000091391428 218001048 /nfs/dbraw/zinc/00/10/48/218001048.db2.gz WREVEPDWHFHVJC-WOJBJXKFSA-N 2 1 342.483 2.458 50 0 EEAAMP Cc1cc(F)ccc1N1CCC([N@@H+]2C[C@H](CO)[C@H](C[NH+](C)C)C2)CC1 ZINC000091871662 218080470 /nfs/dbraw/zinc/08/04/70/218080470.db2.gz RFLMVHFWGBHLKB-IAGOWNOFSA-N 2 1 349.494 2.205 50 0 EEAAMP C[NH+](C)[C@H](C(=O)N1CCC2(CC[N@H+](C)C2)CC1)c1ccc(F)cc1 ZINC000095356040 218289129 /nfs/dbraw/zinc/28/91/29/218289129.db2.gz RMTAXWQOCNLNFA-KRWDZBQOSA-N 2 1 333.451 2.373 50 0 EEAAMP C[NH+](C)[C@H](C(=O)N1CCC2(CC[N@@H+](C)C2)CC1)c1ccc(F)cc1 ZINC000095356040 218289131 /nfs/dbraw/zinc/28/91/31/218289131.db2.gz RMTAXWQOCNLNFA-KRWDZBQOSA-N 2 1 333.451 2.373 50 0 EEAAMP Nc1nc(N2C[C@@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)cc[nH+]1 ZINC000095375906 218308697 /nfs/dbraw/zinc/30/86/97/218308697.db2.gz QDRXKBSVEFBGHJ-CGTJXYLNSA-N 2 1 339.418 2.265 50 0 EEAAMP O[C@H](COc1ccccc1C[N@H+]1CCCOCC1)C[NH+]1CCCCC1 ZINC000095516541 463100432 /nfs/dbraw/zinc/10/04/32/463100432.db2.gz NWHNJAZSVVZNPV-IBGZPJMESA-N 2 1 348.487 2.135 50 0 EEAAMP O=C(C[NH+]1CCCCCC1)N1CCC[N@H+](C2CCSCC2)CC1 ZINC001529152833 1121343121 /nfs/dbraw/zinc/34/31/21/1121343121.db2.gz YXCMFRUVZRXYTR-UHFFFAOYSA-N 2 1 339.549 2.292 50 0 EEAAMP COc1ccc2cc(C[N@@H+](C)C[C@H]3CCC[NH+](C)C3)c(=O)[nH]c2c1 ZINC000067712693 215191141 /nfs/dbraw/zinc/19/11/41/215191141.db2.gz IQPTYOSEVXSWAU-AWEZNQCLSA-N 2 1 329.444 2.310 50 0 EEAAMP COc1ccc2cc(C[NH+](C)C[C@H]3CCC[N@H+](C)C3)c(=O)[nH]c2c1 ZINC000067712693 215191143 /nfs/dbraw/zinc/19/11/43/215191143.db2.gz IQPTYOSEVXSWAU-AWEZNQCLSA-N 2 1 329.444 2.310 50 0 EEAAMP COc1ccc2cc(C[NH+](C)C[C@H]3CCC[N@@H+](C)C3)c(=O)[nH]c2c1 ZINC000067712693 215191145 /nfs/dbraw/zinc/19/11/45/215191145.db2.gz IQPTYOSEVXSWAU-AWEZNQCLSA-N 2 1 329.444 2.310 50 0 EEAAMP COc1cc(NC(=O)CC[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc(OC)c1 ZINC000244707885 243063467 /nfs/dbraw/zinc/06/34/67/243063467.db2.gz KJKJADKWXIUUNW-LJQANCHMSA-N 2 1 347.459 2.108 50 0 EEAAMP CC[N@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)CC[NH3+])CC2)C1 ZINC000091526774 218018240 /nfs/dbraw/zinc/01/82/40/218018240.db2.gz VYRZUYOHXKPEPC-GOSISDBHSA-N 2 1 329.488 2.453 50 0 EEAAMP CC[N@H+]1CCC[C@H]1CNC(=O)C1(Oc2ccc(C)cc2)CC[NH2+]CC1 ZINC000065407873 279332140 /nfs/dbraw/zinc/33/21/40/279332140.db2.gz SAWJXRPYUOAIOT-KRWDZBQOSA-N 2 1 345.487 2.097 50 0 EEAAMP CCn1c(Cn2cc[nH+]c2C)nnc1C1CC[NH+](CC2CC2)CC1 ZINC000091830937 462909530 /nfs/dbraw/zinc/90/95/30/462909530.db2.gz XJZFUFNBYAJRKN-UHFFFAOYSA-N 2 1 328.464 2.441 50 0 EEAAMP O[C@H]1CCCC[C@@H]1[NH+]1CCN(C2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC000067650088 1249879425 /nfs/dbraw/zinc/87/94/25/1249879425.db2.gz DFMWIAKKZGSHQB-OALUTQOASA-N 2 1 335.536 2.220 50 0 EEAAMP CCc1nccn1C[C@@H](C)[N@H+]1CCCN(C(=O)c2ccccn2)CC1 ZINC001772807651 1410368595 /nfs/dbraw/zinc/36/85/95/1410368595.db2.gz QOGGAHJKOCAOJR-MRXNPFEDSA-N 2 1 341.459 2.077 50 0 EEAAMP COCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000952980729 796128595 /nfs/dbraw/zinc/12/85/95/796128595.db2.gz KTIJSIKISAQILS-CYBMUJFWSA-N 2 1 328.359 2.066 50 0 EEAAMP CN(C)C(=O)[C@H]1CCC[N@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000012072868 799750961 /nfs/dbraw/zinc/75/09/61/799750961.db2.gz LEOBIPWMWXSFNA-SFHVURJKSA-N 2 1 329.488 2.451 50 0 EEAAMP CN(C)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000012072868 799750967 /nfs/dbraw/zinc/75/09/67/799750967.db2.gz LEOBIPWMWXSFNA-SFHVURJKSA-N 2 1 329.488 2.451 50 0 EEAAMP CN(C)C(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000012072868 799750972 /nfs/dbraw/zinc/75/09/72/799750972.db2.gz LEOBIPWMWXSFNA-SFHVURJKSA-N 2 1 329.488 2.451 50 0 EEAAMP Cc1[nH+]ccn1CC1(C[NH2+][C@@H]2CCC(=O)N(CC3CC3)CC2)CC1 ZINC001506400088 1114596032 /nfs/dbraw/zinc/59/60/32/1114596032.db2.gz SVCZHJCLFWWWJN-QGZVFWFLSA-N 2 1 330.476 2.352 50 0 EEAAMP CCc1[nH+]ccn1CCNc1cc([C@H]2C[C@H]([NH3+])C2)nc(C2CC2)n1 ZINC000222956586 539658164 /nfs/dbraw/zinc/65/81/64/539658164.db2.gz NCFJZZJOYCAMPD-OKILXGFUSA-N 2 1 326.448 2.430 50 0 EEAAMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](Cc2ccccc2Cn2cccn2)CC1 ZINC000072134526 216023230 /nfs/dbraw/zinc/02/32/30/216023230.db2.gz HMLQUIJHLWLIQA-HXUWFJFHSA-N 2 1 342.487 2.210 50 0 EEAAMP COc1c(F)cccc1C[NH+]1CCC2(CC1)C[N@@H+](C)CCCN2C ZINC000216520450 241198684 /nfs/dbraw/zinc/19/86/84/241198684.db2.gz GGAGKUBERCBQEX-UHFFFAOYSA-N 2 1 335.467 2.436 50 0 EEAAMP Cn1cc(C[N@@H+]2CCO[C@@H](CC[NH+](C)C)C2)c(-c2ccccc2)n1 ZINC000011841041 211254516 /nfs/dbraw/zinc/25/45/16/211254516.db2.gz XRSOJCMZBWMNLG-SFHVURJKSA-N 2 1 328.460 2.240 50 0 EEAAMP Cn1cc(C[N@H+]2CCO[C@@H](CC[NH+](C)C)C2)c(-c2ccccc2)n1 ZINC000011841041 211254518 /nfs/dbraw/zinc/25/45/18/211254518.db2.gz XRSOJCMZBWMNLG-SFHVURJKSA-N 2 1 328.460 2.240 50 0 EEAAMP Cc1nnsc1C[N@H+](C)CC1(c2ccc(C)cn2)CC[NH2+]CC1 ZINC000065398966 462763875 /nfs/dbraw/zinc/76/38/75/462763875.db2.gz WCTNSDVSVPHPPA-UHFFFAOYSA-N 2 1 331.489 2.303 50 0 EEAAMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)[C@@H](C)c2ccccc2)C1 ZINC000016699589 462988316 /nfs/dbraw/zinc/98/83/16/462988316.db2.gz XSQZGSUVIZIZAX-PKOBYXMFSA-N 2 1 347.503 2.152 50 0 EEAAMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)[C@@H](C)c2ccccc2)C1 ZINC000016699589 462988323 /nfs/dbraw/zinc/98/83/23/462988323.db2.gz XSQZGSUVIZIZAX-PKOBYXMFSA-N 2 1 347.503 2.152 50 0 EEAAMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)[C@@H](C)c2ccccc2)C1 ZINC000016699589 462988326 /nfs/dbraw/zinc/98/83/26/462988326.db2.gz XSQZGSUVIZIZAX-PKOBYXMFSA-N 2 1 347.503 2.152 50 0 EEAAMP Cc1cc2c(ncnc2N2CCC([N@H+]3C[C@@H]4CC[NH2+][C@@H]4C3)CC2)s1 ZINC000096148268 463186068 /nfs/dbraw/zinc/18/60/68/463186068.db2.gz PXRITKKCVUMJIH-XJKSGUPXSA-N 2 1 343.500 2.262 50 0 EEAAMP C[N@@H+]1CCC[C@@H](CCC(=O)N2CCC[NH+](Cc3ccncc3)CC2)C1 ZINC000065394865 802844781 /nfs/dbraw/zinc/84/47/81/802844781.db2.gz GEVJCEWCHRVRFD-SFHVURJKSA-N 2 1 344.503 2.238 50 0 EEAAMP C[N@H+]1CCC[C@@H](CCC(=O)N2CCC[NH+](Cc3ccncc3)CC2)C1 ZINC000065394865 802844787 /nfs/dbraw/zinc/84/47/87/802844787.db2.gz GEVJCEWCHRVRFD-SFHVURJKSA-N 2 1 344.503 2.238 50 0 EEAAMP C[NH+]1CCC[C@@H](CCC(=O)N2CCC[N@H+](Cc3ccncc3)CC2)C1 ZINC000065394865 802844793 /nfs/dbraw/zinc/84/47/93/802844793.db2.gz GEVJCEWCHRVRFD-SFHVURJKSA-N 2 1 344.503 2.238 50 0 EEAAMP C[NH+]1CCC[C@@H](CCC(=O)N2CCC[N@@H+](Cc3ccncc3)CC2)C1 ZINC000065394865 802844800 /nfs/dbraw/zinc/84/48/00/802844800.db2.gz GEVJCEWCHRVRFD-SFHVURJKSA-N 2 1 344.503 2.238 50 0 EEAAMP C[N@@H+](CC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)C1CCCC1 ZINC001506403620 1114597079 /nfs/dbraw/zinc/59/70/79/1114597079.db2.gz CRMZLCAGHIQMSQ-UHFFFAOYSA-N 2 1 330.476 2.289 50 0 EEAAMP Cc1ccc(C[NH+]2CCC(C[N@H+](C)Cc3cnc(N)nc3)CC2)o1 ZINC000012315332 211344188 /nfs/dbraw/zinc/34/41/88/211344188.db2.gz LDORFEKIOHFJBY-UHFFFAOYSA-N 2 1 329.448 2.304 50 0 EEAAMP [NH3+]CCc1cccc(C[N@H+]2C[C@H](CO)[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000091745193 218056748 /nfs/dbraw/zinc/05/67/48/218056748.db2.gz KVKHYDVIXBZALS-NHCUHLMSSA-N 3 1 345.531 2.104 50 0 EEAAMP [NH3+]CCc1cccc(CN2C[C@H](CO)[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000091745193 218056751 /nfs/dbraw/zinc/05/67/51/218056751.db2.gz KVKHYDVIXBZALS-NHCUHLMSSA-N 2 1 345.531 2.104 50 0 EEAAMP CNC(=O)C[NH+]1CCC2(CC1)C[C@@H](c1ccccc1)C[N@H+](C1CC1)C2 ZINC000095353938 218288194 /nfs/dbraw/zinc/28/81/94/218288194.db2.gz HWEAYAAHUJUUQP-GOSISDBHSA-N 2 1 341.499 2.467 50 0 EEAAMP Cc1cccn2c(=O)c(C[N@H+]3CCC4(C3)CC[NH2+]CC4)c(Cl)nc12 ZINC000067447127 463006731 /nfs/dbraw/zinc/00/67/31/463006731.db2.gz HYYXRWOCDXBMIA-UHFFFAOYSA-N 2 1 346.862 2.232 50 0 EEAAMP Cc1nnc(C[N@@H+]2CCC3(CC[NH+](C4CCCC4)CC3)[C@H](CO)C2)o1 ZINC000219637432 785863591 /nfs/dbraw/zinc/86/35/91/785863591.db2.gz HEEULCODYDDQCQ-INIZCTEOSA-N 2 1 348.491 2.217 50 0 EEAAMP Cc1nnc(C[N@H+]2CCC3(CC[NH+](C4CCCC4)CC3)[C@H](CO)C2)o1 ZINC000219637432 785863599 /nfs/dbraw/zinc/86/35/99/785863599.db2.gz HEEULCODYDDQCQ-INIZCTEOSA-N 2 1 348.491 2.217 50 0 EEAAMP C([C@H]1CCC[N@H+](C2CCC3(CC[NH2+]CC3)CC2)C1)N1CCOCC1 ZINC000067805115 215218330 /nfs/dbraw/zinc/21/83/30/215218330.db2.gz DBJURIYCSQNFLU-GOSISDBHSA-N 2 1 335.536 2.343 50 0 EEAAMP CCC[N@H+]1CC2(C[C@@H]1C(=O)NCc1cc(CC)no1)CC[NH+](C)CC2 ZINC000072431294 216223297 /nfs/dbraw/zinc/22/32/97/216223297.db2.gz MMJRUESIDULFOU-QGZVFWFLSA-N 2 1 348.491 2.050 50 0 EEAAMP CC(C)([NH3+])C[N@@H+]1CCC[C@]2(CCC(=O)N(Cc3ccncc3)C2)C1 ZINC000072479869 216259904 /nfs/dbraw/zinc/25/99/04/216259904.db2.gz LMECXCJKUWFTKS-IBGZPJMESA-N 2 1 330.476 2.024 50 0 EEAAMP CC(C)([NH3+])C[N@H+]1CCC[C@]2(CCC(=O)N(Cc3ccncc3)C2)C1 ZINC000072479869 216259908 /nfs/dbraw/zinc/25/99/08/216259908.db2.gz LMECXCJKUWFTKS-IBGZPJMESA-N 2 1 330.476 2.024 50 0 EEAAMP C[N@H+](CCC[NH+]1CCCC1)[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1O ZINC000020996061 212196602 /nfs/dbraw/zinc/19/66/02/212196602.db2.gz DPBCNGPPVXSCLC-UXHICEINSA-N 3 1 343.515 2.141 50 0 EEAAMP C[N@@H+](CCC[NH+]1CCCC1)[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1O ZINC000020996061 212196606 /nfs/dbraw/zinc/19/66/06/212196606.db2.gz DPBCNGPPVXSCLC-UXHICEINSA-N 3 1 343.515 2.141 50 0 EEAAMP C[NH+]1CCC([NH+]2CCC(n3ccnc3-c3ccc(CO)o3)CC2)CC1 ZINC000082087464 217461544 /nfs/dbraw/zinc/46/15/44/217461544.db2.gz QMIRGKPGRNGSIB-UHFFFAOYSA-N 2 1 344.459 2.367 50 0 EEAAMP CCC(CC)[N@H+]1CCN(C2CC[NH+](C(C)C)CC2)[C@H](CCO)C1 ZINC000096441181 463267227 /nfs/dbraw/zinc/26/72/27/463267227.db2.gz GXBSRBDJAQAGBE-LJQANCHMSA-N 2 1 325.541 2.416 50 0 EEAAMP C[NH+]1CCC([NH2+][C@H]2COC[C@H]2Cc2ccnc3ccccc23)CC1 ZINC001529095266 1121309756 /nfs/dbraw/zinc/30/97/56/1121309756.db2.gz QXDYCALTWUSQLQ-UZLBHIALSA-N 2 1 325.456 2.476 50 0 EEAAMP Cc1ccc(C[N@H+]2CCCN(C(=O)C3(C)CC[NH+](C)CC3)CC2)o1 ZINC001529110790 1121320143 /nfs/dbraw/zinc/32/01/43/1121320143.db2.gz PADPTJQRPXZIOR-UHFFFAOYSA-N 2 1 333.476 2.354 50 0 EEAAMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C3(C)CC[NH+](C)CC3)CC2)o1 ZINC001529110790 1121320152 /nfs/dbraw/zinc/32/01/52/1121320152.db2.gz PADPTJQRPXZIOR-UHFFFAOYSA-N 2 1 333.476 2.354 50 0 EEAAMP O=C(C[NH+]1CCCCCC1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000023625308 212385805 /nfs/dbraw/zinc/38/58/05/212385805.db2.gz HNMDPMJSTFEPLU-UHFFFAOYSA-N 2 1 345.487 2.011 50 0 EEAAMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CCC[N@@H+](C)CC2)cc1 ZINC000426428359 241285291 /nfs/dbraw/zinc/28/52/91/241285291.db2.gz QKYBLWAUGJTQQO-UHFFFAOYSA-N 2 1 327.432 2.028 50 0 EEAAMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CCC[N@H+](C)CC2)cc1 ZINC000426428359 241285295 /nfs/dbraw/zinc/28/52/95/241285295.db2.gz QKYBLWAUGJTQQO-UHFFFAOYSA-N 2 1 327.432 2.028 50 0 EEAAMP Cc1c[nH+]ccc1N1CCN(C(=O)CC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000095386066 218317892 /nfs/dbraw/zinc/31/78/92/218317892.db2.gz PAWQKAOFBAYAIY-QGZVFWFLSA-N 2 1 330.476 2.161 50 0 EEAAMP C[C@@H]1C[N@@H+]([C@@H]2c3ccccc3C3(CC[NH+](C)CC3)[C@H]2O)C[C@H](C)O1 ZINC000020202883 288250940 /nfs/dbraw/zinc/25/09/40/288250940.db2.gz OPLNASKRORCZAJ-OHQAAIJDSA-N 2 1 330.472 2.175 50 0 EEAAMP C[N@@H+](Cc1ccccc1)C1CCN(c2cc(CC[NH3+])ncn2)CC1 ZINC000067775012 463049196 /nfs/dbraw/zinc/04/91/96/463049196.db2.gz WLHMSKKYLBUSSJ-UHFFFAOYSA-N 2 1 325.460 2.079 50 0 EEAAMP CN1C[C@@]2(CCC[N@@H+](Cc3cccc(OCC[NH+](C)C)c3)C2)OC1=O ZINC000072429280 463510954 /nfs/dbraw/zinc/51/09/54/463510954.db2.gz AEDTYMNXAWEGJO-LJQANCHMSA-N 2 1 347.459 2.044 50 0 EEAAMP Cc1c[nH+]ccc1NCCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000670445116 485644491 /nfs/dbraw/zinc/64/44/91/485644491.db2.gz TVVPOTJADIMKSN-IBGZPJMESA-N 2 1 338.455 2.005 50 0 EEAAMP Cc1ccc(NC(=O)C[NH+](C)C)cc1NC(=O)CC[NH+]1CCCCC1 ZINC000823676129 798756532 /nfs/dbraw/zinc/75/65/32/798756532.db2.gz HIXAULPWRGJVIS-UHFFFAOYSA-N 2 1 346.475 2.310 50 0 EEAAMP C[C@]1(O)CCC[N@H+](Cc2ccc(OCCC[NH+]3CCOCC3)cc2)C1 ZINC000215118448 241107999 /nfs/dbraw/zinc/10/79/99/241107999.db2.gz XTEOSNSZAUEWGS-FQEVSTJZSA-N 2 1 348.487 2.135 50 0 EEAAMP C[C@]1(O)CCC[N@@H+](Cc2ccc(OCCC[NH+]3CCOCC3)cc2)C1 ZINC000215118448 241108004 /nfs/dbraw/zinc/10/80/04/241108004.db2.gz XTEOSNSZAUEWGS-FQEVSTJZSA-N 2 1 348.487 2.135 50 0 EEAAMP C[NH+]1CCN(Nc2[nH+]cnc3c2cnn3-c2cccc(Cl)c2)CC1 ZINC000020662070 212159672 /nfs/dbraw/zinc/15/96/72/212159672.db2.gz WCRDCOKACTZXMO-UHFFFAOYSA-N 2 1 343.822 2.043 50 0 EEAAMP CC[N@H+]1C[C@H](c2ccccc2)CC2(CC[NH+](CC(=O)NC)CC2)C1 ZINC000091997878 218101660 /nfs/dbraw/zinc/10/16/60/218101660.db2.gz YDZUQRMWCGIAHO-GOSISDBHSA-N 2 1 329.488 2.324 50 0 EEAAMP CC[NH+]1CCN(C(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)CC1 ZINC000016607287 462984831 /nfs/dbraw/zinc/98/48/31/462984831.db2.gz YYHPQAUGLCPETI-UHFFFAOYSA-N 2 1 329.488 2.371 50 0 EEAAMP CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[NH+](CC)CC2)cc1 ZINC000024978727 463104085 /nfs/dbraw/zinc/10/40/85/463104085.db2.gz VWHWJUMELSGWBL-UHFFFAOYSA-N 2 1 332.492 2.376 50 0 EEAAMP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)NCc3ccccc3)C2)[nH+]1 ZINC000097200849 463345201 /nfs/dbraw/zinc/34/52/01/463345201.db2.gz GVKBVPLOFFZNMJ-SFHVURJKSA-N 2 1 338.455 2.440 50 0 EEAAMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccccc2OCC(=O)N2CCCC2)C1 ZINC000108428483 463603193 /nfs/dbraw/zinc/60/31/93/463603193.db2.gz XWTMWCKNASWIFO-KRWDZBQOSA-N 2 1 345.487 2.119 50 0 EEAAMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccccc2OCC(=O)N2CCCC2)C1 ZINC000108428483 463603196 /nfs/dbraw/zinc/60/31/96/463603196.db2.gz XWTMWCKNASWIFO-KRWDZBQOSA-N 2 1 345.487 2.119 50 0 EEAAMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](Cc2ccc(-n3cccn3)cc2)CC1 ZINC000072148861 216036694 /nfs/dbraw/zinc/03/66/94/216036694.db2.gz FJTUNANIESSOJF-LJQANCHMSA-N 2 1 328.460 2.151 50 0 EEAAMP CC(C)[N@@H+]1CCCN(c2nc(-c3cccnc3)nc3c2C[NH2+]C3)CC1 ZINC000072164959 216054116 /nfs/dbraw/zinc/05/41/16/216054116.db2.gz MTGNJCFBCNYWFU-UHFFFAOYSA-N 2 1 338.459 2.062 50 0 EEAAMP CC(C)[N@H+]1CCCN(c2nc(-c3cccnc3)nc3c2C[NH2+]C3)CC1 ZINC000072164959 216054121 /nfs/dbraw/zinc/05/41/21/216054121.db2.gz MTGNJCFBCNYWFU-UHFFFAOYSA-N 2 1 338.459 2.062 50 0 EEAAMP C[NH+](C)CCOc1ccccc1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000215263472 241114526 /nfs/dbraw/zinc/11/45/26/241114526.db2.gz AODDRURDARLGCJ-UHFFFAOYSA-N 3 1 340.471 2.344 50 0 EEAAMP CN(C)c1cccc(C(=O)N2CCC[C@H]([N@H+](C)CCC[NH+](C)C)C2)c1 ZINC000012430235 211378052 /nfs/dbraw/zinc/37/80/52/211378052.db2.gz OCWCPWOYKWTRDZ-IBGZPJMESA-N 2 1 346.519 2.241 50 0 EEAAMP CN(C)c1cccc(C(=O)N2CCC[C@H]([N@@H+](C)CCC[NH+](C)C)C2)c1 ZINC000012430235 211378056 /nfs/dbraw/zinc/37/80/56/211378056.db2.gz OCWCPWOYKWTRDZ-IBGZPJMESA-N 2 1 346.519 2.241 50 0 EEAAMP Cc1cc(N2CCN(C(=O)CC[C@@H]3CCCC[N@@H+]3C)CC2)cc[nH+]1 ZINC000095357499 218290442 /nfs/dbraw/zinc/29/04/42/218290442.db2.gz DXZKYFMSQWUXDC-KRWDZBQOSA-N 2 1 330.476 2.303 50 0 EEAAMP C[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)NC3Cc4ccccc4C3)C2)CC1 ZINC000071712029 463419823 /nfs/dbraw/zinc/41/98/23/463419823.db2.gz ZJMAHTRZCPVMRK-SFHVURJKSA-N 2 1 341.499 2.076 50 0 EEAAMP C[NH+]1CCC([N@H+]2CCC[C@H](C(=O)NC3Cc4ccccc4C3)C2)CC1 ZINC000071712029 463419826 /nfs/dbraw/zinc/41/98/26/463419826.db2.gz ZJMAHTRZCPVMRK-SFHVURJKSA-N 2 1 341.499 2.076 50 0 EEAAMP Cc1[nH+]ccn1CC1CCN(c2cc(C3CC([NH3+])C3)ncn2)CC1 ZINC000220725202 464118596 /nfs/dbraw/zinc/11/85/96/464118596.db2.gz LYNZGRWRADNNEL-UHFFFAOYSA-N 2 1 326.448 2.103 50 0 EEAAMP C[C@H]1C[N@@H+](C)CCCN1C(=O)C[NH+]1CCC(c2ccccc2)CC1 ZINC000222267860 464127403 /nfs/dbraw/zinc/12/74/03/464127403.db2.gz ZKHCSTZLSULAEB-KRWDZBQOSA-N 2 1 329.488 2.419 50 0 EEAAMP COc1ccc(OCCC[N@H+]2CCCN(C)C3(CC[NH2+]CC3)C2)cc1 ZINC000252493389 464967692 /nfs/dbraw/zinc/96/76/92/464967692.db2.gz NBDJXBNJVXEUAA-UHFFFAOYSA-N 2 1 347.503 2.224 50 0 EEAAMP CO[C@]12CC[N@@H+](Cc3cccc(OCC[NH+](C)C)c3)[C@H]1C[C@@H](O)CC2 ZINC000299770238 465885689 /nfs/dbraw/zinc/88/56/89/465885689.db2.gz OHMAQQRZMMSPGQ-YSIASYRMSA-N 2 1 348.487 2.131 50 0 EEAAMP Cc1nc(NCC[N@H+]2CCc3ccccc3C2)cc([C@H]2C[C@@H]([NH3+])C2)n1 ZINC000244601837 243045563 /nfs/dbraw/zinc/04/55/63/243045563.db2.gz DSPFZRNHESCAKG-HDICACEKSA-N 2 1 337.471 2.460 50 0 EEAAMP [NH3+][C@H]1C[C@H](c2cc(N3CCC[N@H+]4CCC[C@H]4C3)nc(C3CC3)n2)C1 ZINC000244647048 243049319 /nfs/dbraw/zinc/04/93/19/243049319.db2.gz GUEDIUALXAXCAO-JYJNAYRXSA-N 2 1 327.476 2.233 50 0 EEAAMP CSCCC[NH+]1CCC(c2nnc(Cn3cc[nH+]c3C)n2C)CC1 ZINC000091635820 462895804 /nfs/dbraw/zinc/89/58/04/462895804.db2.gz CKDWFHMJTREYOS-UHFFFAOYSA-N 2 1 348.520 2.301 50 0 EEAAMP C[NH+]1CCC(Oc2ccc(NC(=O)N3CCC[N@@H+](C)CC3)cc2)CC1 ZINC000095527912 463104912 /nfs/dbraw/zinc/10/49/12/463104912.db2.gz REEDUWJQRSJNKM-UHFFFAOYSA-N 2 1 346.475 2.329 50 0 EEAAMP C[C@@H](C[NH+]1CCCCC1)C(=O)Nc1cccc(NC(=O)C[NH+](C)C)c1 ZINC000952862904 796041928 /nfs/dbraw/zinc/04/19/28/796041928.db2.gz RQUYJESOWCROMY-HNNXBMFYSA-N 2 1 346.475 2.247 50 0 EEAAMP COCC[NH+]1CCC(CNC(=O)[C@H](c2ccccc2C)[NH+](C)C)CC1 ZINC000095370982 218304520 /nfs/dbraw/zinc/30/45/20/218304520.db2.gz NNYUJKMEYIKUKU-IBGZPJMESA-N 2 1 347.503 2.072 50 0 EEAAMP C[NH+](C)CCCn1cc[nH+]c1[C@@H]1CCCN(c2nc(CO)cs2)C1 ZINC000095529901 218432435 /nfs/dbraw/zinc/43/24/35/218432435.db2.gz NPWWRTKVZTVSRR-CQSZACIVSA-N 2 1 349.504 2.168 50 0 EEAAMP CC[N@@H+](C)CC(=O)N1CC[C@]2(C1)CCC[NH+](CCc1ccccc1)C2 ZINC000426471341 276068955 /nfs/dbraw/zinc/06/89/55/276068955.db2.gz JVJPREPNXGTIQS-OAQYLSRUSA-N 2 1 343.515 2.495 50 0 EEAAMP CC[NH+](C)CC(=O)N1CC[C@]2(C1)CCC[N@H+](CCc1ccccc1)C2 ZINC000426471341 276068956 /nfs/dbraw/zinc/06/89/56/276068956.db2.gz JVJPREPNXGTIQS-OAQYLSRUSA-N 2 1 343.515 2.495 50 0 EEAAMP CC[NH+](C)CC(=O)N1CC[C@]2(C1)CCC[N@@H+](CCc1ccccc1)C2 ZINC000426471341 276068958 /nfs/dbraw/zinc/06/89/58/276068958.db2.gz JVJPREPNXGTIQS-OAQYLSRUSA-N 2 1 343.515 2.495 50 0 EEAAMP CCc1[nH+]ccn1CCCNC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000426359087 241263334 /nfs/dbraw/zinc/26/33/34/241263334.db2.gz PMNBWSFFZMAXKD-MRXNPFEDSA-N 2 1 333.480 2.105 50 0 EEAAMP C[N@H+]1CCCN(C(=O)[C@@H]2CC23CC[NH+](Cc2ccccc2)CC3)CC1 ZINC000012450702 211386319 /nfs/dbraw/zinc/38/63/19/211386319.db2.gz YSJZJXSMQATXFW-IBGZPJMESA-N 2 1 341.499 2.453 50 0 EEAAMP Cc1c[nH+]ccc1NCCNC(=O)[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000095371451 218304107 /nfs/dbraw/zinc/30/41/07/218304107.db2.gz YNNIVXSIPCJQMX-KRWDZBQOSA-N 2 1 330.407 2.360 50 0 EEAAMP COc1c2c(cc3c1[C@H](Cc1cccc[n+]1C)[N@@H+](C)CC3)OCO2 ZINC000020111804 463024228 /nfs/dbraw/zinc/02/42/28/463024228.db2.gz FYDXWRGQKHJSPC-HNNXBMFYSA-N 2 1 327.404 2.020 50 0 biogenic EEAAMP Cc1[nH+]ccn1CC[C@H]1CCCCN1c1cc(CC[NH3+])nc(C)n1 ZINC000067854977 463057111 /nfs/dbraw/zinc/05/71/11/463057111.db2.gz RFUMHCSXMMEHKP-QGZVFWFLSA-N 2 1 328.464 2.240 50 0 EEAAMP CC[N@@H+]1CCc2c(cccc2NC(=O)C[NH+](C)[C@H]2CCSC2)C1 ZINC000108148240 463591380 /nfs/dbraw/zinc/59/13/80/463591380.db2.gz VKSUMUKOGARXDN-HNNXBMFYSA-N 2 1 333.501 2.440 50 0 EEAAMP CC[N@H+]1CCc2c(cccc2NC(=O)C[NH+](C)[C@H]2CCSC2)C1 ZINC000108148240 463591384 /nfs/dbraw/zinc/59/13/84/463591384.db2.gz VKSUMUKOGARXDN-HNNXBMFYSA-N 2 1 333.501 2.440 50 0 EEAAMP CC[NH+]1CCc2c(cccc2NC(=O)C[N@H+](C)[C@H]2CCSC2)C1 ZINC000108148240 463591387 /nfs/dbraw/zinc/59/13/87/463591387.db2.gz VKSUMUKOGARXDN-HNNXBMFYSA-N 2 1 333.501 2.440 50 0 EEAAMP CC[NH+]1CCc2c(cccc2NC(=O)C[N@@H+](C)[C@H]2CCSC2)C1 ZINC000108148240 463591390 /nfs/dbraw/zinc/59/13/90/463591390.db2.gz VKSUMUKOGARXDN-HNNXBMFYSA-N 2 1 333.501 2.440 50 0 EEAAMP Nc1nc([C@H]2CCOC2)cc(N2CCC[N@H+](C3CCCCC3)CC2)n1 ZINC000426582867 467144163 /nfs/dbraw/zinc/14/41/63/467144163.db2.gz RMGRUMNEMXUFNI-HNNXBMFYSA-N 2 1 345.491 2.408 50 0 EEAAMP Nc1nc(N2CCC[N@@H+](C3CCCCC3)CC2)cc([C@H]2CCOC2)[nH+]1 ZINC000426582867 467144165 /nfs/dbraw/zinc/14/41/65/467144165.db2.gz RMGRUMNEMXUFNI-HNNXBMFYSA-N 2 1 345.491 2.408 50 0 EEAAMP Nc1nc(N2CCC[N@H+](C3CCCCC3)CC2)cc([C@H]2CCOC2)[nH+]1 ZINC000426582867 467144168 /nfs/dbraw/zinc/14/41/68/467144168.db2.gz RMGRUMNEMXUFNI-HNNXBMFYSA-N 2 1 345.491 2.408 50 0 EEAAMP C[N@H+]1CC[C@](C)(C(=O)NCC2CC[NH+](CCCCCF)CC2)C1 ZINC000952874188 796058874 /nfs/dbraw/zinc/05/88/74/796058874.db2.gz YHYYVABLKXWATN-SFHVURJKSA-N 2 1 327.488 2.296 50 0 EEAAMP CCc1cc(N(C)CC[NH+]2CCCCCC2)nc(N2CCOCC2)[nH+]1 ZINC001529198566 1121364838 /nfs/dbraw/zinc/36/48/38/1121364838.db2.gz CZFMGDPLWWHQBR-UHFFFAOYSA-N 2 1 347.507 2.188 50 0 EEAAMP c1ccc(CCC[N@H+]2C[C@@H]3CC[C@H](C2)N(C[C@H]2[C@@H]4C[NH2+]C[C@H]24)C3)cc1 ZINC000101736973 219159653 /nfs/dbraw/zinc/15/96/53/219159653.db2.gz ABMXXWWLKKJNMC-MLBCHFTJSA-N 2 1 339.527 2.481 50 0 EEAAMP COc1ccc(-n2ccnc2C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000067981886 215265071 /nfs/dbraw/zinc/26/50/71/215265071.db2.gz KONKGIYSXWAUGH-UHFFFAOYSA-N 2 1 326.444 2.456 50 0 EEAAMP COCCc1noc([C@H]2CCC[N@H+](CCCn3cc[nH+]c3C)C2)n1 ZINC000244708112 243063628 /nfs/dbraw/zinc/06/36/28/243063628.db2.gz KNQDSOBKAFZMLB-HNNXBMFYSA-N 2 1 333.436 2.033 50 0 EEAAMP COCCc1noc([C@H]2CCC[N@@H+](CCCn3cc[nH+]c3C)C2)n1 ZINC000244708112 243063632 /nfs/dbraw/zinc/06/36/32/243063632.db2.gz KNQDSOBKAFZMLB-HNNXBMFYSA-N 2 1 333.436 2.033 50 0 EEAAMP Cc1ccccc1[C@@H](C(=O)N1CCN(c2cc[nH+]cc2)CC1)[NH+](C)C ZINC000095392902 218325255 /nfs/dbraw/zinc/32/52/55/218325255.db2.gz UVNZEYQHCVJFAZ-IBGZPJMESA-N 2 1 338.455 2.342 50 0 EEAAMP CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2ccc3c(c2)C[NH2+]CCO3)C1 ZINC000299800828 258104352 /nfs/dbraw/zinc/10/43/52/258104352.db2.gz VXFZDJPPPYJXII-KRWDZBQOSA-N 2 1 345.487 2.249 50 0 EEAAMP COc1ccc(OC)c([C@H]2[NH2+][C@](CO)(CC(C)C)[C@H]3C[N@H+](C)C[C@H]32)c1 ZINC000065384145 295184575 /nfs/dbraw/zinc/18/45/75/295184575.db2.gz UVJIMHUQJGUEMF-BWPNAZKDSA-N 2 1 348.487 2.303 50 0 EEAAMP COc1ccc(OC)c([C@H]2[NH2+][C@](CO)(CC(C)C)[C@H]3C[N@@H+](C)C[C@H]32)c1 ZINC000065384145 295184578 /nfs/dbraw/zinc/18/45/78/295184578.db2.gz UVJIMHUQJGUEMF-BWPNAZKDSA-N 2 1 348.487 2.303 50 0 EEAAMP C[N@H+]1CC[C@@](C)(C(=O)NCC2CC[NH+](CCCCCF)CC2)C1 ZINC000952874183 796058885 /nfs/dbraw/zinc/05/88/85/796058885.db2.gz YHYYVABLKXWATN-GOSISDBHSA-N 2 1 327.488 2.296 50 0 EEAAMP CC[N@@H+](Cc1cccc(OCC[NH+]2CCCCC2)c1)[C@H]1COC[C@@H]1O ZINC000216308792 241181442 /nfs/dbraw/zinc/18/14/42/241181442.db2.gz ZOBADHZXCMRTFO-PMACEKPBSA-N 2 1 348.487 2.133 50 0 EEAAMP OC[C@H]1C[N@H+](Cc2ccoc2)CCC12CC[NH+](Cc1ncc[nH]1)CC2 ZINC000097522467 219032523 /nfs/dbraw/zinc/03/25/23/219032523.db2.gz TWNSKSVAYMKDPE-QGZVFWFLSA-N 2 1 344.459 2.099 50 0 EEAAMP OC[C@H]1C[N@@H+](Cc2ccoc2)CCC12CC[NH+](Cc1ncc[nH]1)CC2 ZINC000097522467 219032524 /nfs/dbraw/zinc/03/25/24/219032524.db2.gz TWNSKSVAYMKDPE-QGZVFWFLSA-N 2 1 344.459 2.099 50 0 EEAAMP CO[C@]12CC[N@@H+](Cc3ccccc3OCC[NH+](C)C)[C@H]1C[C@H](O)CC2 ZINC000299802248 258104806 /nfs/dbraw/zinc/10/48/06/258104806.db2.gz ZLCYSSYLDJEMEH-YZGWKJHDSA-N 2 1 348.487 2.131 50 0 EEAAMP CC[N@H+](Cc1ccccc1)C1CCN(c2nnc(C[NH2+]C)o2)CC1 ZINC001772709432 1179299533 /nfs/dbraw/zinc/29/95/33/1179299533.db2.gz NEMZJVYEGLTGEB-UHFFFAOYSA-N 2 1 329.448 2.280 50 0 EEAAMP CC[N@@H+](Cc1ccccc1)C1CCN(c2nnc(C[NH2+]C)o2)CC1 ZINC001772709432 1179299542 /nfs/dbraw/zinc/29/95/42/1179299542.db2.gz NEMZJVYEGLTGEB-UHFFFAOYSA-N 2 1 329.448 2.280 50 0 EEAAMP CC[NH+]1CCC([NH2+][C@H]2CC(=O)N(CCc3ccc(F)cc3)C2)CC1 ZINC000023338520 212368489 /nfs/dbraw/zinc/36/84/89/212368489.db2.gz LKPGZTVCQDENPX-SFHVURJKSA-N 2 1 333.451 2.043 50 0 EEAAMP C[C@@]1(O)CCC[N@H+](Cc2ccc(OCCC[NH+]3CCOCC3)cc2)C1 ZINC000215118492 241108779 /nfs/dbraw/zinc/10/87/79/241108779.db2.gz XTEOSNSZAUEWGS-HXUWFJFHSA-N 2 1 348.487 2.135 50 0 EEAAMP C[C@@]1(O)CCC[N@@H+](Cc2ccc(OCCC[NH+]3CCOCC3)cc2)C1 ZINC000215118492 241108790 /nfs/dbraw/zinc/10/87/90/241108790.db2.gz XTEOSNSZAUEWGS-HXUWFJFHSA-N 2 1 348.487 2.135 50 0 EEAAMP Cn1cc([C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)[C@H]2C[C@@H](O)C2)cn1 ZINC000223865933 279349187 /nfs/dbraw/zinc/34/91/87/279349187.db2.gz QIWKZJIJEPPETA-NIKGAXFTSA-N 2 1 332.492 2.229 50 0 EEAAMP Cc1[nH+]c(N(C)C)nc(N2CCC[N@@H+](Cc3ccccn3)CC2)c1C ZINC000065428802 462770289 /nfs/dbraw/zinc/77/02/89/462770289.db2.gz JOYJTBMXHCDKSV-UHFFFAOYSA-N 2 1 340.475 2.267 50 0 EEAAMP CCc1nc2c(c(N(C)CC)n1)CC[N@@H+](C[C@H]1CC[C@@H]([NH3+])CC1)CC2 ZINC000244774266 464462187 /nfs/dbraw/zinc/46/21/87/464462187.db2.gz PQXOZXPZHIPMGN-IYBDPMFKSA-N 2 1 345.535 2.413 50 0 EEAAMP C[N@@H+]1CCC[C@H](CCC(=O)N2CCC[NH+](Cc3ccncc3)CC2)C1 ZINC000065394864 802844740 /nfs/dbraw/zinc/84/47/40/802844740.db2.gz GEVJCEWCHRVRFD-GOSISDBHSA-N 2 1 344.503 2.238 50 0 EEAAMP C[N@H+]1CCC[C@H](CCC(=O)N2CCC[NH+](Cc3ccncc3)CC2)C1 ZINC000065394864 802844745 /nfs/dbraw/zinc/84/47/45/802844745.db2.gz GEVJCEWCHRVRFD-GOSISDBHSA-N 2 1 344.503 2.238 50 0 EEAAMP C[NH+]1CCC[C@H](CCC(=O)N2CCC[N@H+](Cc3ccncc3)CC2)C1 ZINC000065394864 802844750 /nfs/dbraw/zinc/84/47/50/802844750.db2.gz GEVJCEWCHRVRFD-GOSISDBHSA-N 2 1 344.503 2.238 50 0 EEAAMP C[NH+]1CCC[C@H](CCC(=O)N2CCC[N@@H+](Cc3ccncc3)CC2)C1 ZINC000065394864 802844756 /nfs/dbraw/zinc/84/47/56/802844756.db2.gz GEVJCEWCHRVRFD-GOSISDBHSA-N 2 1 344.503 2.238 50 0 EEAAMP COc1ccccc1-n1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cn1 ZINC000067867243 215234173 /nfs/dbraw/zinc/23/41/73/215234173.db2.gz ASAHLKDRRRUFHQ-UHFFFAOYSA-N 2 1 326.444 2.456 50 0 EEAAMP CC(C)/C=C/C[N@H+]1CCN(C2CC[NH+](C(C)C)CC2)[C@H](CCO)C1 ZINC000039421033 213236875 /nfs/dbraw/zinc/23/68/75/213236875.db2.gz LZMXSOALLRJLGK-RRFGBZISSA-N 2 1 337.552 2.440 50 0 EEAAMP CCC[N@H+]1CC2(C[C@H]1C(=O)NCc1cc(C)ccn1)CC[NH+](C)CC2 ZINC000072428203 216219658 /nfs/dbraw/zinc/21/96/58/216219658.db2.gz ABJNYKCBYWGHPJ-SFHVURJKSA-N 2 1 344.503 2.203 50 0 EEAAMP C[NH+]1CCC(N(Cc2ccncc2)C(=O)[C@@H]([NH3+])c2cccs2)CC1 ZINC000072475250 216253140 /nfs/dbraw/zinc/25/31/40/216253140.db2.gz GLLPZBGNWJLOHH-KRWDZBQOSA-N 2 1 344.484 2.266 50 0 EEAAMP CC[N@H+]1C[C@@H](c2ccccc2)CC2(CC[NH+](CC(=O)NC)CC2)C1 ZINC000091997879 218101566 /nfs/dbraw/zinc/10/15/66/218101566.db2.gz YDZUQRMWCGIAHO-SFHVURJKSA-N 2 1 329.488 2.324 50 0 EEAAMP Cc1c[nH+]ccc1NCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000095370264 218303065 /nfs/dbraw/zinc/30/30/65/218303065.db2.gz QMUBFRLSAIHMAV-INIZCTEOSA-N 2 1 342.443 2.423 50 0 EEAAMP Cc1[nH+]ccn1Cc1nnc([C@@H]2CCCN(c3cc[nH+]cc3)C2)n1C ZINC000095391875 218323465 /nfs/dbraw/zinc/32/34/65/218323465.db2.gz GEZVAXWUAANQJH-OAHLLOKOSA-N 2 1 337.431 2.147 50 0 EEAAMP CNc1cc[nH+]c(N2CCC(c3nccn3CCC[NH+](C)C)CC2)n1 ZINC000095518685 463100400 /nfs/dbraw/zinc/10/04/00/463100400.db2.gz GVFMLJPFIBDTSZ-UHFFFAOYSA-N 2 1 343.479 2.051 50 0 EEAAMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@@H](O)c2ccc(F)c(F)c2)CC1 ZINC000106907713 463548597 /nfs/dbraw/zinc/54/85/97/463548597.db2.gz MLYXPVVKYUHWFN-SCLBCKFNSA-N 2 1 342.430 2.023 50 0 EEAAMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC[C@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000107515564 463572696 /nfs/dbraw/zinc/57/26/96/463572696.db2.gz LXUMZYVTMPEVCS-MDNKFWRPSA-N 2 1 329.488 2.275 50 0 EEAAMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000107515564 463572702 /nfs/dbraw/zinc/57/27/02/463572702.db2.gz LXUMZYVTMPEVCS-MDNKFWRPSA-N 2 1 329.488 2.275 50 0 EEAAMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000107515564 463572705 /nfs/dbraw/zinc/57/27/05/463572705.db2.gz LXUMZYVTMPEVCS-MDNKFWRPSA-N 2 1 329.488 2.275 50 0 EEAAMP COC[C@H]1CCC[N@@H+](CCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000252499409 464970738 /nfs/dbraw/zinc/97/07/38/464970738.db2.gz SAFFEYZLWPYYEO-FQEVSTJZSA-N 2 1 331.504 2.163 50 0 EEAAMP COc1c(C)c[nH+]c(CN(C)Cc2cc3n(n2)CCC[NH2+]C3)c1C ZINC000072161257 1370312566 /nfs/dbraw/zinc/31/25/66/1370312566.db2.gz BBKQIGBPJMESKC-UHFFFAOYSA-N 2 1 329.448 2.029 50 0 EEAAMP Cc1ccccc1[C@H](C(=O)NCCCOC1CC[NH+](C)CC1)[NH+](C)C ZINC000219229858 241370553 /nfs/dbraw/zinc/37/05/53/241370553.db2.gz IHMMCSVVAUYDGJ-LJQANCHMSA-N 2 1 347.503 2.215 50 0 EEAAMP C[N@@H+](CCNc1cc(C2CC([NH3+])C2)ncn1)CCc1ccccc1 ZINC000223579423 464143291 /nfs/dbraw/zinc/14/32/91/464143291.db2.gz LYXUPFXMIRTEFC-UHFFFAOYSA-N 2 1 325.460 2.268 50 0 EEAAMP COc1cccc(N2CCC([N@H+]3CCO[C@H](CC[NH+](C)C)C3)CC2)c1 ZINC000019885300 683518063 /nfs/dbraw/zinc/51/80/63/683518063.db2.gz XNJMIYXGHSOBNH-HXUWFJFHSA-N 2 1 347.503 2.317 50 0 EEAAMP [NH3+]Cc1nnc(N2CCC[C@]3(CCC[N@H+](Cc4ccccc4)C3)C2)o1 ZINC001772709837 1179299842 /nfs/dbraw/zinc/29/98/42/1179299842.db2.gz NUJUJNMCYSDJDC-IBGZPJMESA-N 2 1 341.459 2.411 50 0 EEAAMP [NH3+]Cc1nnc(N2CCC[C@]3(CCC[N@@H+](Cc4ccccc4)C3)C2)o1 ZINC001772709837 1179299849 /nfs/dbraw/zinc/29/98/49/1179299849.db2.gz NUJUJNMCYSDJDC-IBGZPJMESA-N 2 1 341.459 2.411 50 0 EEAAMP C[NH+](C)CC[C@H]1C[N@H+](Cc2ccc(Cn3cccn3)cc2)CCO1 ZINC000012301369 800876386 /nfs/dbraw/zinc/87/63/86/800876386.db2.gz SLCMSJPCLSUTCX-IBGZPJMESA-N 2 1 328.460 2.084 50 0 EEAAMP C[NH+](C)CC[C@H]1C[N@@H+](Cc2ccc(Cn3cccn3)cc2)CCO1 ZINC000012301369 800876392 /nfs/dbraw/zinc/87/63/92/800876392.db2.gz SLCMSJPCLSUTCX-IBGZPJMESA-N 2 1 328.460 2.084 50 0 EEAAMP [NH3+]C1(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3F)C2)CCCC1 ZINC000067818027 215219534 /nfs/dbraw/zinc/21/95/34/215219534.db2.gz VQBTVNWZYSVOCC-OAHLLOKOSA-N 2 1 333.451 2.425 50 0 EEAAMP C([C@@H]1CCC[N@H+](C2CCC3(CC[NH2+]CC3)CC2)C1)N1CCOCC1 ZINC000067805116 215217858 /nfs/dbraw/zinc/21/78/58/215217858.db2.gz DBJURIYCSQNFLU-SFHVURJKSA-N 2 1 335.536 2.343 50 0 EEAAMP Cc1ccc(CC2(NC(=O)[C@H]3CC4(C[N@@H+]3C)CC[NH2+]CC4)CC2)cc1 ZINC000072473992 216251649 /nfs/dbraw/zinc/25/16/49/216251649.db2.gz FSTVOOOSDJETAA-GOSISDBHSA-N 2 1 341.499 2.260 50 0 EEAAMP Cc1ccc(C)c(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](CCO)C2)c1 ZINC000023373792 212372467 /nfs/dbraw/zinc/37/24/67/212372467.db2.gz DBQKRNRKXKRICF-NRFANRHFSA-N 2 1 345.531 2.266 50 0 EEAAMP COc1cc(NC(=O)CC[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc(OC)c1 ZINC000244707884 243063353 /nfs/dbraw/zinc/06/33/53/243063353.db2.gz KJKJADKWXIUUNW-IBGZPJMESA-N 2 1 347.459 2.108 50 0 EEAAMP Cc1[nH+]cn(CCNc2cc([C@H]3C[C@H]([NH3+])C3)nc(C3CC3)n2)c1C ZINC000243901600 243032942 /nfs/dbraw/zinc/03/29/42/243032942.db2.gz BDFXRWPAMHTIGL-SHTZXODSSA-N 2 1 326.448 2.484 50 0 EEAAMP COCCN(C(=O)[C@H](c1ccccc1C)[NH+](C)C)C1CC[NH+](C)CC1 ZINC000095388275 218320753 /nfs/dbraw/zinc/32/07/53/218320753.db2.gz PTWLWNVWQRPCOM-IBGZPJMESA-N 2 1 347.503 2.167 50 0 EEAAMP [NH3+][C@H]1CCC[C@@H](C(=O)N2CCC[N@H+](C3Cc4ccccc4C3)CC2)C1 ZINC000082136708 295335463 /nfs/dbraw/zinc/33/54/63/295335463.db2.gz KHMYMXFNEFHLAZ-MOPGFXCFSA-N 2 1 341.499 2.206 50 0 EEAAMP Cc1c(C)n(CCC[NH+](C)C)c2nc[nH+]c(NCCC[NH+](C)C)c12 ZINC000005350592 462655754 /nfs/dbraw/zinc/65/57/54/462655754.db2.gz VQABDGIMKNDUAA-UHFFFAOYSA-N 3 1 332.496 2.363 50 0 EEAAMP CCc1[nH+]ccn1CCNC(=O)[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000095499113 463094434 /nfs/dbraw/zinc/09/44/34/463094434.db2.gz MWEVZTGDSUEBAC-OAHLLOKOSA-N 2 1 330.432 2.067 50 0 EEAAMP CCc1[nH+]ccn1CCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000095499113 463094438 /nfs/dbraw/zinc/09/44/38/463094438.db2.gz MWEVZTGDSUEBAC-OAHLLOKOSA-N 2 1 330.432 2.067 50 0 EEAAMP CC[NH+]1CCC([NH2+]C[C@@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000003354072 210016238 /nfs/dbraw/zinc/01/62/38/210016238.db2.gz PDGPWZUBCVIKIT-QGZVFWFLSA-N 2 1 326.868 2.291 50 0 EEAAMP Cc1ccccc1N1CCC[N@H+](Cc2cc3n(n2)CCC[NH2+]C3)CC1 ZINC000072174330 216065249 /nfs/dbraw/zinc/06/52/49/216065249.db2.gz ULHSWMMTWQIKHT-UHFFFAOYSA-N 2 1 339.487 2.397 50 0 EEAAMP Cc1ccccc1N1CCC[N@@H+](Cc2cc3n(n2)CCC[NH2+]C3)CC1 ZINC000072174330 216065251 /nfs/dbraw/zinc/06/52/51/216065251.db2.gz ULHSWMMTWQIKHT-UHFFFAOYSA-N 2 1 339.487 2.397 50 0 EEAAMP C[NH+]1CCC([NH2+][C@@H]2CC(=O)N(CCc3cccc(Cl)c3)C2)CC1 ZINC000014972332 462937086 /nfs/dbraw/zinc/93/70/86/462937086.db2.gz RJXMZKWFXSVEMS-QGZVFWFLSA-N 2 1 335.879 2.167 50 0 EEAAMP C[N@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCC(c4ccccc4)CC3)C[C@H]21 ZINC000077436515 462983332 /nfs/dbraw/zinc/98/33/32/462983332.db2.gz MRZOEOCUWZXLPA-RBUKOAKNSA-N 2 1 327.472 2.029 50 0 EEAAMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+](C)[C@@H](C)c2ccccc2)C1 ZINC000016699587 462988678 /nfs/dbraw/zinc/98/86/78/462988678.db2.gz XSQZGSUVIZIZAX-HKUYNNGSSA-N 2 1 347.503 2.152 50 0 EEAAMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+](C)[C@@H](C)c2ccccc2)C1 ZINC000016699587 462988684 /nfs/dbraw/zinc/98/86/84/462988684.db2.gz XSQZGSUVIZIZAX-HKUYNNGSSA-N 2 1 347.503 2.152 50 0 EEAAMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](C)[C@@H](C)c2ccccc2)C1 ZINC000016699587 462988687 /nfs/dbraw/zinc/98/86/87/462988687.db2.gz XSQZGSUVIZIZAX-HKUYNNGSSA-N 2 1 347.503 2.152 50 0 EEAAMP Cc1ccc(N2CCC[C@@H](c3[nH+]ccn3CCC[NH+](C)C)C2)nn1 ZINC000095387036 463073099 /nfs/dbraw/zinc/07/30/99/463073099.db2.gz PMKYNRUJZWIUML-MRXNPFEDSA-N 2 1 328.464 2.317 50 0 EEAAMP O=C1CC[N@@H+](CCCc2ccccc2)CCN1CC[NH+]1CCCC1 ZINC000299793311 465886607 /nfs/dbraw/zinc/88/66/07/465886607.db2.gz IHZXMILFUNBZBP-UHFFFAOYSA-N 2 1 329.488 2.249 50 0 EEAAMP CN1CC[C@@H]2C[N@@H+](C3CC[NH+](CCc4ccccc4)CC3)C[C@@H]2C1=O ZINC001772804697 1410368106 /nfs/dbraw/zinc/36/81/06/1410368106.db2.gz CYIAKOHACLVHOH-QUCCMNQESA-N 2 1 341.499 2.104 50 0 EEAAMP CN1CC[C@@H]2C[N@H+](C3CC[NH+](CCc4ccccc4)CC3)C[C@@H]2C1=O ZINC001772804697 1410368111 /nfs/dbraw/zinc/36/81/11/1410368111.db2.gz CYIAKOHACLVHOH-QUCCMNQESA-N 2 1 341.499 2.104 50 0 EEAAMP COCC[NH+]1CCC(C[N@H+](Cc2cccnc2)C[C@H]2CCCO2)CC1 ZINC000011821533 798577483 /nfs/dbraw/zinc/57/74/83/798577483.db2.gz OETWLOCQMGSJDK-HXUWFJFHSA-N 2 1 347.503 2.421 50 0 EEAAMP CCC[N@H+]1CC2(C[C@H]1C(=O)NCc1ccc(C)o1)CC[NH+](C)CC2 ZINC000072458296 203228241 /nfs/dbraw/zinc/22/82/41/203228241.db2.gz KBOOPBTUWHEUHT-KRWDZBQOSA-N 2 1 333.476 2.401 50 0 EEAAMP O=C(CC1=CC[NH2+]CC1)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000067673774 463035022 /nfs/dbraw/zinc/03/50/22/463035022.db2.gz LAZXAQRLANRYGV-MRXNPFEDSA-N 2 1 333.501 2.386 50 0 EEAAMP C=Cc1cccc(C[N@H+]2CC[C@@H](CNC(=O)C3CC[NH2+]CC3)C2)c1 ZINC000067871932 463061005 /nfs/dbraw/zinc/06/10/05/463061005.db2.gz WRORRNQJCMGTPD-SFHVURJKSA-N 2 1 327.472 2.267 50 0 EEAAMP Cc1cc[nH+]c(NCCNC(=O)[C@H]2CCC[N@@H+](Cc3ccco3)C2)c1 ZINC000095352198 463067101 /nfs/dbraw/zinc/06/71/01/463067101.db2.gz LTONOPHRMORYSG-INIZCTEOSA-N 2 1 342.443 2.423 50 0 EEAAMP CCCc1nc(N2CCC([NH2+]CCc3ccnn3C)CC2)cc(C)[nH+]1 ZINC000095512429 463098872 /nfs/dbraw/zinc/09/88/72/463098872.db2.gz KDKXCVVZSDIYSM-UHFFFAOYSA-N 2 1 342.491 2.272 50 0 EEAAMP Cc1cc(C)n(-c2ccccc2C[N@H+]2CCC[C@](O)(C[NH+](C)C)C2)n1 ZINC000072152721 463482887 /nfs/dbraw/zinc/48/28/87/463482887.db2.gz FULAOTMWGZXREA-FQEVSTJZSA-N 2 1 342.487 2.378 50 0 EEAAMP Cc1cc(C)n(-c2ccccc2C[N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)n1 ZINC000072152721 463482896 /nfs/dbraw/zinc/48/28/96/463482896.db2.gz FULAOTMWGZXREA-FQEVSTJZSA-N 2 1 342.487 2.378 50 0 EEAAMP CCC[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000661955081 471937387 /nfs/dbraw/zinc/93/73/87/471937387.db2.gz BSVTXIGPOATINQ-IBGZPJMESA-N 2 1 344.503 2.041 50 0 EEAAMP CCC[N@H+]1CC[C@H](NC(=O)N2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000661955081 471937390 /nfs/dbraw/zinc/93/73/90/471937390.db2.gz BSVTXIGPOATINQ-IBGZPJMESA-N 2 1 344.503 2.041 50 0 EEAAMP CSc1ccc(C[NH+]2CCN(c3cc(C)[nH+]c(N)n3)CC2)cc1 ZINC000214975343 241101023 /nfs/dbraw/zinc/10/10/23/241101023.db2.gz WREQVCDWOQUWHT-UHFFFAOYSA-N 2 1 329.473 2.411 50 0 EEAAMP C[NH+](C)CCOc1ccccc1C(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1C ZINC000106779203 463535756 /nfs/dbraw/zinc/53/57/56/463535756.db2.gz HVUPOJOCNCOXOH-ZWKOTPCHSA-N 2 1 345.487 2.326 50 0 EEAAMP CO[C@@H]1CC[N@H+](Cc2ccc(OCCC[NH+]3CCOCC3)cc2)C1 ZINC000215879174 241152521 /nfs/dbraw/zinc/15/25/21/241152521.db2.gz UQDWUUJAEGCABT-LJQANCHMSA-N 2 1 334.460 2.008 50 0 EEAAMP CO[C@@H]1CC[N@@H+](Cc2ccc(OCCC[NH+]3CCOCC3)cc2)C1 ZINC000215879174 241152528 /nfs/dbraw/zinc/15/25/28/241152528.db2.gz UQDWUUJAEGCABT-LJQANCHMSA-N 2 1 334.460 2.008 50 0 EEAAMP C[N@@H+]1CCCN(C(=O)CCCOc2ccccc2)CC12CC[NH2+]CC2 ZINC000244873227 243090758 /nfs/dbraw/zinc/09/07/58/243090758.db2.gz WMGHFBNTPNQGDU-UHFFFAOYSA-N 2 1 345.487 2.132 50 0 EEAAMP C[N@H+]1CCCN(C(=O)CCCOc2ccccc2)CC12CC[NH2+]CC2 ZINC000244873227 243090763 /nfs/dbraw/zinc/09/07/63/243090763.db2.gz WMGHFBNTPNQGDU-UHFFFAOYSA-N 2 1 345.487 2.132 50 0 EEAAMP [NH3+]CCCC(=O)N1C[C@@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072137231 203167560 /nfs/dbraw/zinc/16/75/60/203167560.db2.gz LMJQJKNOLCSGNW-QXAKKESOSA-N 2 1 349.425 2.092 50 0 EEAAMP [NH3+]C1(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](CCCc2ccccc2)C3)CC1 ZINC000091603103 462892247 /nfs/dbraw/zinc/89/22/47/462892247.db2.gz RDZOHXVUAQSPNS-ZWKOTPCHSA-N 2 1 327.472 2.033 50 0 EEAAMP CCCCc1c(C)[nH+]c(N)nc1N1CCC([N@H+]2CCC[C@H](O)C2)CC1 ZINC000091663526 462896735 /nfs/dbraw/zinc/89/67/35/462896735.db2.gz IHRXYHKUGVTJLJ-INIZCTEOSA-N 2 1 347.507 2.135 50 0 EEAAMP Cc1[nH+]ccn1CCC[N@@H+]1CCCN(C(=O)c2ccsc2)CC1 ZINC000124977835 463487555 /nfs/dbraw/zinc/48/75/55/463487555.db2.gz WXAZIVWNOXUFMX-UHFFFAOYSA-N 2 1 332.473 2.491 50 0 EEAAMP Cc1[nH+]ccn1CCC[N@H+]1CCCN(C(=O)c2ccsc2)CC1 ZINC000124977835 463487559 /nfs/dbraw/zinc/48/75/59/463487559.db2.gz WXAZIVWNOXUFMX-UHFFFAOYSA-N 2 1 332.473 2.491 50 0 EEAAMP CC(C)[C@@H]1CN(C(=O)C[NH+](C)C)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071759998 203109462 /nfs/dbraw/zinc/10/94/62/203109462.db2.gz SUTFMUMMRYCABE-SFHVURJKSA-N 2 1 335.467 2.446 50 0 EEAAMP CC(C)[C@@H]1CN(C(=O)C[NH+](C)C)CCC[N@H+]1Cc1ccc(F)cc1 ZINC000071759998 203109463 /nfs/dbraw/zinc/10/94/63/203109463.db2.gz SUTFMUMMRYCABE-SFHVURJKSA-N 2 1 335.467 2.446 50 0 EEAAMP C[NH+](C)C[C@]1(O)CCC[N@@H+](Cc2cnc(-c3ccco3)nc2)CC1 ZINC000072135322 203166637 /nfs/dbraw/zinc/16/66/37/203166637.db2.gz QXOHHKUSOMCMIQ-SFHVURJKSA-N 2 1 330.432 2.015 50 0 EEAAMP CC(C)([NH3+])C[N@@H+]1CCC[C@@]2(CCC(=O)N(Cc3ccncc3)C2)C1 ZINC000072479870 203232554 /nfs/dbraw/zinc/23/25/54/203232554.db2.gz LMECXCJKUWFTKS-LJQANCHMSA-N 2 1 330.476 2.024 50 0 EEAAMP CC(C)([NH3+])C[N@H+]1CCC[C@@]2(CCC(=O)N(Cc3ccncc3)C2)C1 ZINC000072479870 203232557 /nfs/dbraw/zinc/23/25/57/203232557.db2.gz LMECXCJKUWFTKS-LJQANCHMSA-N 2 1 330.476 2.024 50 0 EEAAMP C[N@H+]1CC2(C[C@H]1C(=O)NCCc1cccc(Cl)c1)CC[NH2+]CC2 ZINC000072430673 203222586 /nfs/dbraw/zinc/22/25/86/203222586.db2.gz RVNARMHPSRUABH-INIZCTEOSA-N 2 1 335.879 2.073 50 0 EEAAMP CC[NH+]1CCC([NH+]2CCC3(CC2)Nc2ccccc2NC3=O)CC1 ZINC000082106220 276149488 /nfs/dbraw/zinc/14/94/88/276149488.db2.gz WKJYOEFWUFUTGW-UHFFFAOYSA-N 2 1 328.460 2.370 50 0 EEAAMP C[NH+](C)CCCn1cc[nH+]c1C1CCN(c2nc(CO)cs2)CC1 ZINC000095367261 463070346 /nfs/dbraw/zinc/07/03/46/463070346.db2.gz LTNISVWISBHYIX-UHFFFAOYSA-N 2 1 349.504 2.168 50 0 EEAAMP Cc1[nH+]ccn1CCCN1c2ccccc2NC2(CC[NH2+]CC2)C1=O ZINC000082157901 463520141 /nfs/dbraw/zinc/52/01/41/463520141.db2.gz XNSRKGKEBFNKAS-UHFFFAOYSA-N 2 1 339.443 2.163 50 0 EEAAMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](Cc2cnc(-c3ccco3)nc2)CC1 ZINC000072135323 203166384 /nfs/dbraw/zinc/16/63/84/203166384.db2.gz QXOHHKUSOMCMIQ-GOSISDBHSA-N 2 1 330.432 2.015 50 0 EEAAMP Cc1cc(-n2cccn2)ccc1C[N@H+]1CCOC[C@@H](C[NH+](C)C)C1 ZINC000072143695 203170015 /nfs/dbraw/zinc/17/00/15/203170015.db2.gz CMMHYWFRZSJEBS-KRWDZBQOSA-N 2 1 328.460 2.191 50 0 EEAAMP Cc1cc(-n2cccn2)ccc1C[N@@H+]1CCOC[C@@H](C[NH+](C)C)C1 ZINC000072143695 203170020 /nfs/dbraw/zinc/17/00/20/203170020.db2.gz CMMHYWFRZSJEBS-KRWDZBQOSA-N 2 1 328.460 2.191 50 0 EEAAMP C[NH+]1CCC([NH+]2CCC(C(=O)NCCc3ccccc3)CC2)CC1 ZINC000001503071 462583326 /nfs/dbraw/zinc/58/33/26/462583326.db2.gz PTGWXZNTCYZIGB-UHFFFAOYSA-N 2 1 329.488 2.152 50 0 EEAAMP Cc1[nH+]ccn1Cc1nnc(C2CC[NH+](C3CCCC3)CC2)n1C ZINC000091779371 462906453 /nfs/dbraw/zinc/90/64/53/462906453.db2.gz DDQTXERJTSWRSU-UHFFFAOYSA-N 2 1 328.464 2.490 50 0 EEAAMP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000054510552 463239104 /nfs/dbraw/zinc/23/91/04/463239104.db2.gz VEQUTVWQJNDUER-IBGZPJMESA-N 2 1 344.503 2.246 50 0 EEAAMP CCC[N@H+]1CC[C@@H](CNC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000054510552 463239105 /nfs/dbraw/zinc/23/91/05/463239105.db2.gz VEQUTVWQJNDUER-IBGZPJMESA-N 2 1 344.503 2.246 50 0 EEAAMP Cc1cc(N2CC[N@H+](C)[C@]3(C2)CCC(=O)N(CC2CC2)CC3)cc[nH+]1 ZINC000230145262 242240371 /nfs/dbraw/zinc/24/03/71/242240371.db2.gz KZHNKBXUPHMNNT-HXUWFJFHSA-N 2 1 342.487 2.303 50 0 EEAAMP Cc1ccc[nH+]c1NCCNc1nc(C2CC2)nc2c1CC[NH2+]CC2 ZINC000072447971 203226368 /nfs/dbraw/zinc/22/63/68/203226368.db2.gz PTRCLTRRUULNMZ-UHFFFAOYSA-N 2 1 338.459 2.270 50 0 EEAAMP [NH3+]CCN1C(=O)CC[C@H]2C[N@H+](Cc3cc4ccccc4o3)CC[C@H]21 ZINC000072463372 203229748 /nfs/dbraw/zinc/22/97/48/203229748.db2.gz GZJCCXQGABTRTF-DOTOQJQBSA-N 2 1 327.428 2.204 50 0 EEAAMP O=C(NCCC[NH+]1CCOCC1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010691469 462821657 /nfs/dbraw/zinc/82/16/57/462821657.db2.gz MVKPRLZWNGGHHU-UHFFFAOYSA-N 2 1 345.487 2.125 50 0 EEAAMP Cn1cc(C[N@@H+]2CCO[C@H](CC[NH+](C)C)C2)c(-c2ccccc2)n1 ZINC000011841040 462840118 /nfs/dbraw/zinc/84/01/18/462840118.db2.gz XRSOJCMZBWMNLG-GOSISDBHSA-N 2 1 328.460 2.240 50 0 EEAAMP Cn1cc(C[N@H+]2CCO[C@H](CC[NH+](C)C)C2)c(-c2ccccc2)n1 ZINC000011841040 462840121 /nfs/dbraw/zinc/84/01/21/462840121.db2.gz XRSOJCMZBWMNLG-GOSISDBHSA-N 2 1 328.460 2.240 50 0 EEAAMP Cc1ccc(C[NH+]2CCC3(CCC(=O)N([C@@H]4CC[N@H+](C)C4)C3)CC2)o1 ZINC000091746416 462903122 /nfs/dbraw/zinc/90/31/22/462903122.db2.gz LDWZXJJEKAXSLI-QGZVFWFLSA-N 2 1 345.487 2.497 50 0 EEAAMP C[N@@H+]1CCO[C@@H](CCNC(=O)C2([NH+]3CCCCC3)CCCCC2)C1 ZINC000067885094 463063110 /nfs/dbraw/zinc/06/31/10/463063110.db2.gz OIGZQWBNJNZFIG-KRWDZBQOSA-N 2 1 337.508 2.012 50 0 EEAAMP C[N@H+]1CCO[C@@H](CCNC(=O)C2([NH+]3CCCCC3)CCCCC2)C1 ZINC000067885094 463063112 /nfs/dbraw/zinc/06/31/12/463063112.db2.gz OIGZQWBNJNZFIG-KRWDZBQOSA-N 2 1 337.508 2.012 50 0 EEAAMP [NH3+]CCc1cccc(C[N@H+]2C[C@H]3CC[C@@H]2CN(C2CCOCC2)C3)c1 ZINC000095392214 463073229 /nfs/dbraw/zinc/07/32/29/463073229.db2.gz YPBWDJJDZPVXPH-TZIWHRDSSA-N 2 1 343.515 2.263 50 0 EEAAMP [NH3+]CCc1cccc(CN2C[C@H]3CC[C@@H]2C[N@@H+](C2CCOCC2)C3)c1 ZINC000095392214 463073232 /nfs/dbraw/zinc/07/32/32/463073232.db2.gz YPBWDJJDZPVXPH-TZIWHRDSSA-N 2 1 343.515 2.263 50 0 EEAAMP [NH3+]CCc1cccc(CN2C[C@H]3CC[C@@H]2C[N@H+](C2CCOCC2)C3)c1 ZINC000095392214 463073238 /nfs/dbraw/zinc/07/32/38/463073238.db2.gz YPBWDJJDZPVXPH-TZIWHRDSSA-N 2 1 343.515 2.263 50 0 EEAAMP COc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)C3([NH3+])CCC3)C2)c(C)c1 ZINC000067983217 463076392 /nfs/dbraw/zinc/07/63/92/463076392.db2.gz JLVSRAIZUHJGGQ-INIZCTEOSA-N 2 1 345.487 2.213 50 0 EEAAMP [NH3+][C@H]1C[C@@H](c2cc(N3CC[NH+](Cc4cccs4)CC3)ncn2)C1 ZINC000252571985 464984433 /nfs/dbraw/zinc/98/44/33/464984433.db2.gz YQRBYFGZZQQQFV-OKILXGFUSA-N 2 1 329.473 2.065 50 0 EEAAMP Cn1c(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)C2)cc2cc(F)ccc21 ZINC000215387797 241122101 /nfs/dbraw/zinc/12/21/01/241122101.db2.gz NFNFVRCUIYELDA-KRWDZBQOSA-N 2 1 330.451 2.139 50 0 EEAAMP Cn1c(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)C2)cc2cc(F)ccc21 ZINC000215387797 241122104 /nfs/dbraw/zinc/12/21/04/241122104.db2.gz NFNFVRCUIYELDA-KRWDZBQOSA-N 2 1 330.451 2.139 50 0 EEAAMP CC(C)[C@H]1CN(C(=O)C[NH+](C)C)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071759999 203109728 /nfs/dbraw/zinc/10/97/28/203109728.db2.gz SUTFMUMMRYCABE-GOSISDBHSA-N 2 1 335.467 2.446 50 0 EEAAMP CC(C)[C@H]1CN(C(=O)C[NH+](C)C)CCC[N@H+]1Cc1ccc(F)cc1 ZINC000071759999 203109729 /nfs/dbraw/zinc/10/97/29/203109729.db2.gz SUTFMUMMRYCABE-GOSISDBHSA-N 2 1 335.467 2.446 50 0 EEAAMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N(C)C[C@@H]2CC[NH+](C)C2)C1 ZINC000106839304 278311214 /nfs/dbraw/zinc/31/12/14/278311214.db2.gz HPJYOGXRMXEUTN-ZHALLVOQSA-N 2 1 344.503 2.415 50 0 EEAAMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)N(C)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000106839304 278311215 /nfs/dbraw/zinc/31/12/15/278311215.db2.gz HPJYOGXRMXEUTN-ZHALLVOQSA-N 2 1 344.503 2.415 50 0 EEAAMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)N(C)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000106839304 278311216 /nfs/dbraw/zinc/31/12/16/278311216.db2.gz HPJYOGXRMXEUTN-ZHALLVOQSA-N 2 1 344.503 2.415 50 0 EEAAMP CN(C[C@@H]1CCC[N@@H+](CCc2ccccc2F)C1)C(=O)C[NH+](C)C ZINC000011769780 462840034 /nfs/dbraw/zinc/84/00/34/462840034.db2.gz HSNWONWOICLKEF-INIZCTEOSA-N 2 1 335.467 2.100 50 0 EEAAMP C[NH+]1CCN(C(=O)CC[C@@H]2CCC[N@H+](Cc3cccc(O)c3)C2)CC1 ZINC000012208964 462847067 /nfs/dbraw/zinc/84/70/67/462847067.db2.gz GTXNUSHFGWVNOM-KRWDZBQOSA-N 2 1 345.487 2.158 50 0 EEAAMP C[NH+]1CCN(C(=O)CC[C@@H]2CCC[N@@H+](Cc3cccc(O)c3)C2)CC1 ZINC000012208964 462847073 /nfs/dbraw/zinc/84/70/73/462847073.db2.gz GTXNUSHFGWVNOM-KRWDZBQOSA-N 2 1 345.487 2.158 50 0 EEAAMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@]2(C1)CCCN(CC1CCC1)C2=O ZINC000091952277 462914815 /nfs/dbraw/zinc/91/48/15/462914815.db2.gz OJCFRYHNGMUEEE-IBGZPJMESA-N 2 1 330.476 2.306 50 0 EEAAMP Cc1[nH+]ccn1CC[N@H+]1CC[C@]2(C1)CCCN(CC1CCC1)C2=O ZINC000091952277 462914819 /nfs/dbraw/zinc/91/48/19/462914819.db2.gz OJCFRYHNGMUEEE-IBGZPJMESA-N 2 1 330.476 2.306 50 0 EEAAMP CCc1cc(N2CCC([N@H+]3CC[C@@H](COC)C3)CC2)nc(N(C)C)[nH+]1 ZINC000095524106 463104392 /nfs/dbraw/zinc/10/43/92/463104392.db2.gz LKIQRUPGDZMOIV-OAHLLOKOSA-N 2 1 347.507 2.042 50 0 EEAAMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)[C@H](C)c2ccccc2)C1 ZINC000105870464 463483287 /nfs/dbraw/zinc/48/32/87/463483287.db2.gz XSQZGSUVIZIZAX-IEBWSBKVSA-N 2 1 347.503 2.152 50 0 EEAAMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)[C@H](C)c2ccccc2)C1 ZINC000105870464 463483290 /nfs/dbraw/zinc/48/32/90/463483290.db2.gz XSQZGSUVIZIZAX-IEBWSBKVSA-N 2 1 347.503 2.152 50 0 EEAAMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)[C@H](C)c2ccccc2)C1 ZINC000105870464 463483294 /nfs/dbraw/zinc/48/32/94/463483294.db2.gz XSQZGSUVIZIZAX-IEBWSBKVSA-N 2 1 347.503 2.152 50 0 EEAAMP COc1c[nH]c(C[N@H+]2CCCN(c3cc[nH+]c(C)c3)CC2)cc1=O ZINC000252485518 464963910 /nfs/dbraw/zinc/96/39/10/464963910.db2.gz GXOFTBDHIILVDT-UHFFFAOYSA-N 2 1 328.416 2.212 50 0 EEAAMP COc1ccc(C[NH2+]CC[C@]2(O)C[C@H](C)[N@@H+](C)C[C@H]2C)cc1OC ZINC000004539327 210216924 /nfs/dbraw/zinc/21/69/24/210216924.db2.gz XHIDEXZXYXIKAG-VCBZYWHSSA-N 2 1 336.476 2.275 50 0 EEAAMP CCNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000012303332 211340587 /nfs/dbraw/zinc/34/05/87/211340587.db2.gz KADIGBHNXZYTPV-GOSISDBHSA-N 2 1 329.488 2.499 50 0 EEAAMP CCNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000012303332 211340583 /nfs/dbraw/zinc/34/05/83/211340583.db2.gz KADIGBHNXZYTPV-GOSISDBHSA-N 2 1 329.488 2.499 50 0 EEAAMP CC[NH+]1CCN(C(=O)C2CC[NH+](Cc3ccccc3F)CC2)CC1 ZINC000009849659 211127857 /nfs/dbraw/zinc/12/78/57/211127857.db2.gz LMMUFWLQWIARDL-UHFFFAOYSA-N 2 1 333.451 2.202 50 0 EEAAMP O=C1CC[N@@H+](CCCC(F)(F)F)CCN1CC[NH+]1CCCCC1 ZINC000299786927 258093675 /nfs/dbraw/zinc/09/36/75/258093675.db2.gz RVKAAXHIQQKFJR-UHFFFAOYSA-N 2 1 335.414 2.349 50 0 EEAAMP C[NH+](C)[C@H]1CCC[N@H+](CCN2CCN(c3ccccc3)CC2)CC1 ZINC000252490566 464966205 /nfs/dbraw/zinc/96/62/05/464966205.db2.gz KWYUQUAHIPADNN-IBGZPJMESA-N 2 1 330.520 2.225 50 0 EEAAMP C[NH+](C)[C@H]1CCC[N@@H+](CCN2CCN(c3ccccc3)CC2)CC1 ZINC000252490566 464966214 /nfs/dbraw/zinc/96/62/14/464966214.db2.gz KWYUQUAHIPADNN-IBGZPJMESA-N 2 1 330.520 2.225 50 0 EEAAMP O[C@@H]1C[C@@H]2C[N@@H+](Cc3ccccc3OCC[NH+]3CCCCC3)C[C@H]12 ZINC001772701387 1179284158 /nfs/dbraw/zinc/28/41/58/1179284158.db2.gz LLJSBPWPTMXNRZ-CEXWTWQISA-N 2 1 330.472 2.364 50 0 EEAAMP CCc1c[nH+]c(N)nc1NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001772704680 1179288829 /nfs/dbraw/zinc/28/88/29/1179288829.db2.gz DNIBTEDTMGRGMI-KRWDZBQOSA-N 2 1 341.459 2.324 50 0 EEAAMP CCc1c[nH+]c(N)nc1NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001772704680 1179288835 /nfs/dbraw/zinc/28/88/35/1179288835.db2.gz DNIBTEDTMGRGMI-KRWDZBQOSA-N 2 1 341.459 2.324 50 0 EEAAMP CN1CCN(C(=O)CC[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000015074880 1226510778 /nfs/dbraw/zinc/51/07/78/1226510778.db2.gz MFCCHUUEGJUKCW-FQEVSTJZSA-N 2 1 343.515 2.495 50 0 EEAAMP C[NH+]1CCN(C(=O)CC[C@@H]2CCC[N@H+](CCc3ccccc3)C2)CC1 ZINC000015074880 1226510784 /nfs/dbraw/zinc/51/07/84/1226510784.db2.gz MFCCHUUEGJUKCW-FQEVSTJZSA-N 2 1 343.515 2.495 50 0 EEAAMP C[NH+]1CCN(C(=O)CC[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000015074880 1226510790 /nfs/dbraw/zinc/51/07/90/1226510790.db2.gz MFCCHUUEGJUKCW-FQEVSTJZSA-N 2 1 343.515 2.495 50 0 EEAAMP COc1cccc(CNC[C@]2(C)CC[N@@H+](C)C2)c1OCC[NH+](C)C ZINC000952974106 796116962 /nfs/dbraw/zinc/11/69/62/796116962.db2.gz BEDIHXKWOGPUFK-IBGZPJMESA-N 2 1 335.492 2.067 50 0 EEAAMP COc1cccc(C[NH2+]C[C@]2(C)CC[N@H+](C)C2)c1OCC[NH+](C)C ZINC000952974106 796116966 /nfs/dbraw/zinc/11/69/66/796116966.db2.gz BEDIHXKWOGPUFK-IBGZPJMESA-N 3 1 335.492 2.067 50 0 EEAAMP COc1cccc(C[NH2+]C[C@]2(C)CC[N@@H+](C)C2)c1OCC[NH+](C)C ZINC000952974106 796116972 /nfs/dbraw/zinc/11/69/72/796116972.db2.gz BEDIHXKWOGPUFK-IBGZPJMESA-N 3 1 335.492 2.067 50 0 EEAAMP C[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)NCCc3ccccc3)C2)CC1 ZINC000067754309 215203043 /nfs/dbraw/zinc/20/30/43/215203043.db2.gz INUVFTLIHNFMKU-SFHVURJKSA-N 2 1 329.488 2.152 50 0 EEAAMP C[NH+]1CCC([N@H+]2CCC[C@H](C(=O)NCCc3ccccc3)C2)CC1 ZINC000067754309 215203047 /nfs/dbraw/zinc/20/30/47/215203047.db2.gz INUVFTLIHNFMKU-SFHVURJKSA-N 2 1 329.488 2.152 50 0 EEAAMP CCCc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CC[NH2+]C)C2)o1 ZINC000072436363 216231092 /nfs/dbraw/zinc/23/10/92/216231092.db2.gz IKHZZVHOIZQBCY-MAUKXSAKSA-N 2 1 333.476 2.264 50 0 EEAAMP C[C@@H]1C[N@H+](Cc2ccccc2OCCC[NH+]2CCOCC2)CCCO1 ZINC000216063527 241163578 /nfs/dbraw/zinc/16/35/78/241163578.db2.gz YAAUJYGOFWLUGJ-GOSISDBHSA-N 2 1 348.487 2.399 50 0 EEAAMP C[C@@H]1C[N@@H+](Cc2ccccc2OCCC[NH+]2CCOCC2)CCCO1 ZINC000216063527 241163581 /nfs/dbraw/zinc/16/35/81/241163581.db2.gz YAAUJYGOFWLUGJ-GOSISDBHSA-N 2 1 348.487 2.399 50 0 EEAAMP COc1cccc(C[N@H+]2CCC[C@@H](O)CC2)c1OCCC[NH+](C)C ZINC000216299365 241181250 /nfs/dbraw/zinc/18/12/50/241181250.db2.gz CLBAZOCFYKRYGS-QGZVFWFLSA-N 2 1 336.476 2.373 50 0 EEAAMP Cc1cc(N2CCC[N@@H+](CCC(=O)Nc3cccnc3)CC2)cc[nH+]1 ZINC000244715845 243062802 /nfs/dbraw/zinc/06/28/02/243062802.db2.gz LDOVPBOQAJIURJ-UHFFFAOYSA-N 2 1 339.443 2.326 50 0 EEAAMP Cc1cnn(C[C@H]2CCC[N@@H+]2C[C@@H](O)CN(C)Cc2ccccc2)c1 ZINC000106785791 463535671 /nfs/dbraw/zinc/53/56/71/463535671.db2.gz AZCXBFWISDFPAM-UXHICEINSA-N 2 1 342.487 2.149 50 0 EEAAMP Cc1cnn(C[C@H]2CCCN2C[C@@H](O)C[N@@H+](C)Cc2ccccc2)c1 ZINC000106785791 463535677 /nfs/dbraw/zinc/53/56/77/463535677.db2.gz AZCXBFWISDFPAM-UXHICEINSA-N 2 1 342.487 2.149 50 0 EEAAMP Cc1cnn(C[C@H]2CCCN2C[C@@H](O)C[N@H+](C)Cc2ccccc2)c1 ZINC000106785791 463535678 /nfs/dbraw/zinc/53/56/78/463535678.db2.gz AZCXBFWISDFPAM-UXHICEINSA-N 2 1 342.487 2.149 50 0 EEAAMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCN(c2cc[nH+]cc2C)CC1 ZINC000426689886 535483826 /nfs/dbraw/zinc/48/38/26/535483826.db2.gz PRLFENMAQBKKTH-QGZVFWFLSA-N 2 1 345.491 2.096 50 0 EEAAMP Cc1cc(C[C@@H]2C[N@@H+](C3CC[NH+](C4CCCC4)CC3)C[C@@H]2O)on1 ZINC001529155770 1121346361 /nfs/dbraw/zinc/34/63/61/1121346361.db2.gz ZUBNKZBTILUDCJ-BEFAXECRSA-N 2 1 333.476 2.225 50 0 EEAAMP Cc1cc(C[C@@H]2C[N@H+](C3CC[NH+](C4CCCC4)CC3)C[C@@H]2O)on1 ZINC001529155770 1121346371 /nfs/dbraw/zinc/34/63/71/1121346371.db2.gz ZUBNKZBTILUDCJ-BEFAXECRSA-N 2 1 333.476 2.225 50 0 EEAAMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000072166032 216055593 /nfs/dbraw/zinc/05/55/93/216055593.db2.gz OQEMSJUPXVRKPF-LJQANCHMSA-N 2 1 346.450 2.494 50 0 EEAAMP CCCCN(Cc1ccncc1)C(=O)[C@H]1CC2(C[N@H+]1C)CC[NH2+]CC2 ZINC000072421100 216209519 /nfs/dbraw/zinc/20/95/19/216209519.db2.gz TYYFTBZHMCBAPI-GOSISDBHSA-N 2 1 344.503 2.284 50 0 EEAAMP C[NH2+]CCN1C(=O)CC[C@H]2C[N@H+](C/C=C/c3ccccc3)CC[C@H]21 ZINC000072421797 216210622 /nfs/dbraw/zinc/21/06/22/216210622.db2.gz LQORDOOPFMSYPT-GYOZQUQXSA-N 2 1 327.472 2.232 50 0 EEAAMP CCCCc1nc(NCCNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)cc(C)[nH+]1 ZINC000534587736 448456995 /nfs/dbraw/zinc/45/69/95/448456995.db2.gz IYDPEDFOXVCKGS-CABCVRRESA-N 2 1 333.480 2.173 50 0 EEAAMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H](C2CC[NH+](CC(C)C)CC2)C1 ZINC000015077302 462941105 /nfs/dbraw/zinc/94/11/05/462941105.db2.gz ZAQYDIXUZRFENW-GOSISDBHSA-N 2 1 332.492 2.408 50 0 EEAAMP Cc1ccccc1CC[NH+]1CCC[C@H](C[N@@H+](C)CCn2cnnc2)C1 ZINC000095529530 463105986 /nfs/dbraw/zinc/10/59/86/463105986.db2.gz CFKLYILLCABKBV-LJQANCHMSA-N 2 1 341.503 2.473 50 0 EEAAMP Cc1ccccc1CC[N@H+]1CCC[C@H](C[NH+](C)CCn2cnnc2)C1 ZINC000095529530 463105992 /nfs/dbraw/zinc/10/59/92/463105992.db2.gz CFKLYILLCABKBV-LJQANCHMSA-N 2 1 341.503 2.473 50 0 EEAAMP Cc1ccccc1CC[N@@H+]1CCC[C@H](C[NH+](C)CCn2cnnc2)C1 ZINC000095529530 463105994 /nfs/dbraw/zinc/10/59/94/463105994.db2.gz CFKLYILLCABKBV-LJQANCHMSA-N 2 1 341.503 2.473 50 0 EEAAMP COc1ccccc1C[N@H+]1CCC[C@@H](CN(CC[NH+](C)C)C(C)=O)C1 ZINC000096165302 463193232 /nfs/dbraw/zinc/19/32/32/463193232.db2.gz HDDMZCYUXCKICO-GOSISDBHSA-N 2 1 347.503 2.317 50 0 EEAAMP C[C@@H]1C[N@@H+](C)CCCN1C(=O)C[NH+]1CCC(c2ccccc2)CC1 ZINC000222267808 464128092 /nfs/dbraw/zinc/12/80/92/464128092.db2.gz ZKHCSTZLSULAEB-QGZVFWFLSA-N 2 1 329.488 2.419 50 0 EEAAMP CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C[NH3+])C1 ZINC000601012349 468718722 /nfs/dbraw/zinc/71/87/22/468718722.db2.gz BARXDJJIPJZAFU-LPHOPBHVSA-N 2 1 331.460 2.314 50 0 EEAAMP C[N@@H+]([C@@H]1c2ccccc2C2(CC[NH+](C)CC2)[C@H]1O)C1CCOCC1 ZINC000020294105 1229506881 /nfs/dbraw/zinc/50/68/81/1229506881.db2.gz WFJXAGGXBODMAD-MOPGFXCFSA-N 2 1 330.472 2.176 50 0 EEAAMP c1c(C[NH+]2CCCC2)nnn1C1CC[NH+](C2CCSCC2)CC1 ZINC000023541977 212381002 /nfs/dbraw/zinc/38/10/02/212381002.db2.gz RAZMNYVINKGRQL-UHFFFAOYSA-N 2 1 335.521 2.406 50 0 EEAAMP Cc1ccc(C[N@H+]2C[C@H](CO)[C@H](C[NH+]3CCC(CO)CC3)C2)cc1C ZINC000092099047 218119471 /nfs/dbraw/zinc/11/94/71/218119471.db2.gz CHVSHRGTAPICCO-NHCUHLMSSA-N 2 1 346.515 2.048 50 0 EEAAMP Cc1cccc([C@H](C(=O)N2CCN(c3cc[nH+]cc3)CC2)[NH+](C)C)c1 ZINC000095364412 218296875 /nfs/dbraw/zinc/29/68/75/218296875.db2.gz GROQYDPDICKKSB-LJQANCHMSA-N 2 1 338.455 2.342 50 0 EEAAMP CCc1nccn1C[C@H](C)[N@H+]1CCCN(C(=O)c2ccccn2)CC1 ZINC001772807650 1410369014 /nfs/dbraw/zinc/36/90/14/1410369014.db2.gz QOGGAHJKOCAOJR-INIZCTEOSA-N 2 1 341.459 2.077 50 0 EEAAMP CCOc1ccc2[nH]c(=O)c(C[N@H+](C)C3CC[NH+](C)CC3)cc2c1 ZINC000067789032 215213568 /nfs/dbraw/zinc/21/35/68/215213568.db2.gz AVMXONQCBFIFRY-UHFFFAOYSA-N 2 1 329.444 2.453 50 0 EEAAMP CCOc1ccc2[nH]c(=O)c(C[N@@H+](C)C3CC[NH+](C)CC3)cc2c1 ZINC000067789032 215213571 /nfs/dbraw/zinc/21/35/71/215213571.db2.gz AVMXONQCBFIFRY-UHFFFAOYSA-N 2 1 329.444 2.453 50 0 EEAAMP Cc1cc(-n2cccn2)ccc1C[N@H+]1CCOC[C@H](C[NH+](C)C)C1 ZINC000072143693 216028867 /nfs/dbraw/zinc/02/88/67/216028867.db2.gz CMMHYWFRZSJEBS-QGZVFWFLSA-N 2 1 328.460 2.191 50 0 EEAAMP Cc1cc(-n2cccn2)ccc1C[N@@H+]1CCOC[C@H](C[NH+](C)C)C1 ZINC000072143693 216028869 /nfs/dbraw/zinc/02/88/69/216028869.db2.gz CMMHYWFRZSJEBS-QGZVFWFLSA-N 2 1 328.460 2.191 50 0 EEAAMP CC[NH+]1CCC([NH2+][C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2)CC1 ZINC000023338521 212368865 /nfs/dbraw/zinc/36/88/65/212368865.db2.gz LKPGZTVCQDENPX-GOSISDBHSA-N 2 1 333.451 2.043 50 0 EEAAMP Cc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+](C)C3)cc1OCCC[NH3+] ZINC000426537907 241306874 /nfs/dbraw/zinc/30/68/74/241306874.db2.gz ZSKZZWMMVZKDGR-WMZOPIPTSA-N 2 1 345.487 2.279 50 0 EEAAMP C[NH+]1CCN(c2nnc(-n3cccc3C[NH+]3CCCCC3)s2)CC1 ZINC000021880792 212258345 /nfs/dbraw/zinc/25/83/45/212258345.db2.gz IIXIUQULVWFMQF-UHFFFAOYSA-N 2 1 346.504 2.067 50 0 EEAAMP CCNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000012303333 211339273 /nfs/dbraw/zinc/33/92/73/211339273.db2.gz KADIGBHNXZYTPV-SFHVURJKSA-N 2 1 329.488 2.499 50 0 EEAAMP CCNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000012303333 211339269 /nfs/dbraw/zinc/33/92/69/211339269.db2.gz KADIGBHNXZYTPV-SFHVURJKSA-N 2 1 329.488 2.499 50 0 EEAAMP CC1CC[NH+](Cc2ccc(C(=O)N3C[C@@H]4CC[N@@H+](C)[C@@H]4C3)o2)CC1 ZINC000077389118 462979107 /nfs/dbraw/zinc/97/91/07/462979107.db2.gz YRPRSLNKQKLCRZ-DOTOQJQBSA-N 2 1 331.460 2.288 50 0 EEAAMP [NH3+]CCc1cccc(C[N@H+]2CCCC[C@H]2CCN2CCOCC2)c1 ZINC000077438999 462984870 /nfs/dbraw/zinc/98/48/70/462984870.db2.gz NLCUBQONFRRDSY-FQEVSTJZSA-N 2 1 331.504 2.265 50 0 EEAAMP Cc1[nH+]ccn1CC[C@@H]1CCCCN1c1cc(CC[NH3+])nc(C)n1 ZINC000067854979 463057884 /nfs/dbraw/zinc/05/78/84/463057884.db2.gz RFUMHCSXMMEHKP-KRWDZBQOSA-N 2 1 328.464 2.240 50 0 EEAAMP c1ccc(-c2nc3c(c(N4CC[N@H+]5CCC[C@H]5C4)n2)CC[NH2+]C3)cc1 ZINC000230147074 464202539 /nfs/dbraw/zinc/20/25/39/464202539.db2.gz UVYCJIJZVLMBNB-INIZCTEOSA-N 2 1 335.455 2.074 50 0 EEAAMP CCc1cc(N2CCC([N@H+]3CC[C@H](COC)C3)CC2)nc(N(C)C)[nH+]1 ZINC000095524105 463103111 /nfs/dbraw/zinc/10/31/11/463103111.db2.gz LKIQRUPGDZMOIV-HNNXBMFYSA-N 2 1 347.507 2.042 50 0 EEAAMP CC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000095527408 463105575 /nfs/dbraw/zinc/10/55/75/463105575.db2.gz KGPJGFHYZGWFFP-QGZVFWFLSA-N 2 1 335.467 2.448 50 0 EEAAMP C[C@H]1C[NH+](Cc2ccc(C(=O)N(C)C3CC[NH2+]CC3)cc2)C[C@H](C)O1 ZINC000125387688 463539128 /nfs/dbraw/zinc/53/91/28/463539128.db2.gz PCGKPCAFDBMXAQ-HOTGVXAUSA-N 2 1 345.487 2.120 50 0 EEAAMP O=c1ccccn1CCC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000670467602 485652717 /nfs/dbraw/zinc/65/27/17/485652717.db2.gz VWZLBZKOLNUQNM-UHFFFAOYSA-N 2 1 325.456 2.493 50 0 EEAAMP C[NH2+]Cc1nnc(NC[C@H]2CCC[N@H+](CCc3ccccc3)C2)o1 ZINC001772703911 1179288866 /nfs/dbraw/zinc/28/88/66/1179288866.db2.gz GMAVRQUGOPGBGO-MRXNPFEDSA-N 2 1 329.448 2.156 50 0 EEAAMP C[NH2+]Cc1nnc(NC[C@H]2CCC[N@@H+](CCc3ccccc3)C2)o1 ZINC001772703911 1179288872 /nfs/dbraw/zinc/28/88/72/1179288872.db2.gz GMAVRQUGOPGBGO-MRXNPFEDSA-N 2 1 329.448 2.156 50 0 EEAAMP COc1cccc(CNC[C@@]2(C)CC[N@@H+](C)C2)c1OCC[NH+](C)C ZINC000952974144 796117237 /nfs/dbraw/zinc/11/72/37/796117237.db2.gz BEDIHXKWOGPUFK-LJQANCHMSA-N 2 1 335.492 2.067 50 0 EEAAMP COc1cccc(C[NH2+]C[C@@]2(C)CC[N@H+](C)C2)c1OCC[NH+](C)C ZINC000952974144 796117240 /nfs/dbraw/zinc/11/72/40/796117240.db2.gz BEDIHXKWOGPUFK-LJQANCHMSA-N 3 1 335.492 2.067 50 0 EEAAMP COc1cccc(C[NH2+]C[C@@]2(C)CC[N@@H+](C)C2)c1OCC[NH+](C)C ZINC000952974144 796117242 /nfs/dbraw/zinc/11/72/42/796117242.db2.gz BEDIHXKWOGPUFK-LJQANCHMSA-N 3 1 335.492 2.067 50 0 EEAAMP C[N@H+]1CCCN(C(=O)[C@H]2CC23CC[NH+](Cc2ccccc2)CC3)CC1 ZINC000012450704 211387346 /nfs/dbraw/zinc/38/73/46/211387346.db2.gz YSJZJXSMQATXFW-LJQANCHMSA-N 2 1 341.499 2.453 50 0 EEAAMP Cc1[nH+]ccn1[C@H](C)CC(=O)N1CC[NH+](C2CCSCC2)CC1 ZINC000299798564 258102603 /nfs/dbraw/zinc/10/26/03/258102603.db2.gz SIJGGSQRYQCMEZ-CQSZACIVSA-N 2 1 336.505 2.182 50 0 EEAAMP [NH3+]CCc1cccc(C[N@H+]2CCCC[C@@H]2CCN2CCOCC2)c1 ZINC000077438998 462985141 /nfs/dbraw/zinc/98/51/41/462985141.db2.gz NLCUBQONFRRDSY-HXUWFJFHSA-N 2 1 331.504 2.265 50 0 EEAAMP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)NCc3ccccc3)C2)[nH+]1 ZINC000097200850 463345305 /nfs/dbraw/zinc/34/53/05/463345305.db2.gz GVKBVPLOFFZNMJ-GOSISDBHSA-N 2 1 338.455 2.440 50 0 EEAAMP CCC[N@H+]1CC2(C[C@H]1C(=O)N1CCn3cccc3C1)CC[NH+](C)CC2 ZINC000072409959 463509098 /nfs/dbraw/zinc/50/90/98/463509098.db2.gz AOHYXCATAYLLDN-SFHVURJKSA-N 2 1 344.503 2.027 50 0 EEAAMP C[C@@H]1C[NH+](Cc2ccc(C(=O)N(C)C3CC[NH2+]CC3)cc2)C[C@@H](C)O1 ZINC000125387913 463539108 /nfs/dbraw/zinc/53/91/08/463539108.db2.gz PCGKPCAFDBMXAQ-HZPDHXFCSA-N 2 1 345.487 2.120 50 0 EEAAMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C[C@@H]([NH3+])c2ccccc2)cc1 ZINC000263372063 464093864 /nfs/dbraw/zinc/09/38/64/464093864.db2.gz YRDWWVPBUIETGB-QGZVFWFLSA-N 2 1 340.427 2.215 50 0 EEAAMP C[N@@H+]1CCC[C@@H](c2nc(Cc3cccnc3)nn2-c2cc[nH+]cc2)C1 ZINC000670452516 485648751 /nfs/dbraw/zinc/64/87/51/485648751.db2.gz RPHNHGFNPFDFLA-MRXNPFEDSA-N 2 1 334.427 2.457 50 0 EEAAMP C[N@H+]1CCC[C@@H](c2nc(Cc3cccnc3)nn2-c2cc[nH+]cc2)C1 ZINC000670452516 485648757 /nfs/dbraw/zinc/64/87/57/485648757.db2.gz RPHNHGFNPFDFLA-MRXNPFEDSA-N 2 1 334.427 2.457 50 0 EEAAMP CC[C@H](C(=O)NC1CC[NH+](C2CCSCC2)CC1)[N@@H+](C)CC ZINC000952975880 796119955 /nfs/dbraw/zinc/11/99/55/796119955.db2.gz LQONOHXJWFJNQJ-MRXNPFEDSA-N 2 1 327.538 2.193 50 0 EEAAMP c1ccc(OC2CCCC2)c(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000097680018 219047798 /nfs/dbraw/zinc/04/77/98/219047798.db2.gz WBAJEJPCZUSONJ-GOSISDBHSA-N 2 1 329.488 2.488 50 0 EEAAMP C[C@@H]1CCCC[N@H+]1C1CN(C(=O)c2cc(F)ccc2OCCC[NH3+])C1 ZINC000299800743 258104448 /nfs/dbraw/zinc/10/44/48/258104448.db2.gz IOKQFZOPEZPQJC-CQSZACIVSA-N 2 1 349.450 2.252 50 0 EEAAMP CCc1[nH+]ccn1CCNC(=O)c1cccc(-c2ccc(C[NH3+])cn2)c1 ZINC000584903587 468960691 /nfs/dbraw/zinc/96/06/91/468960691.db2.gz MDTOBHIKGYRCAZ-UHFFFAOYSA-N 2 1 349.438 2.396 50 0 EEAAMP CCn1c(Cn2cc[nH+]c2C)nnc1C1CC[NH+](CCCOC)CC1 ZINC000092046237 218110996 /nfs/dbraw/zinc/11/09/96/218110996.db2.gz ZKJYDUDSISWCRY-UHFFFAOYSA-N 2 1 346.479 2.067 50 0 EEAAMP Cc1[nH+]ccn1Cc1nnc([C@@H]2CCC[N@H+](CC3CCC3)C2)n1C ZINC000095387378 218318821 /nfs/dbraw/zinc/31/88/21/218318821.db2.gz GZMLRTGXBMSVAV-MRXNPFEDSA-N 2 1 328.464 2.348 50 0 EEAAMP Cc1[nH+]ccn1Cc1nnc([C@@H]2CCC[N@@H+](CC3CCC3)C2)n1C ZINC000095387378 218318823 /nfs/dbraw/zinc/31/88/23/218318823.db2.gz GZMLRTGXBMSVAV-MRXNPFEDSA-N 2 1 328.464 2.348 50 0 EEAAMP Cc1ccc(N2CCC[C@H](c3[nH+]ccn3CCC[NH+](C)C)C2)nn1 ZINC000095387035 280875640 /nfs/dbraw/zinc/87/56/40/280875640.db2.gz PMKYNRUJZWIUML-INIZCTEOSA-N 2 1 328.464 2.317 50 0 EEAAMP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](Cc3cc(=O)n4ccccc4n3)C2)c1 ZINC000065449365 462772362 /nfs/dbraw/zinc/77/23/62/462772362.db2.gz VDWSKPGUMBSXSU-MRXNPFEDSA-N 2 1 349.438 2.332 50 0 EEAAMP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](Cc3cc(=O)n4ccccc4n3)C2)c1 ZINC000065449365 462772364 /nfs/dbraw/zinc/77/23/64/462772364.db2.gz VDWSKPGUMBSXSU-MRXNPFEDSA-N 2 1 349.438 2.332 50 0 EEAAMP C[C@H](O)CC[NH+]1CCC(n2cc(C[NH+]3CCCCCC3)nn2)CC1 ZINC000023250894 679960691 /nfs/dbraw/zinc/96/06/91/679960691.db2.gz QFZNJOYEUDWUTN-INIZCTEOSA-N 2 1 335.496 2.062 50 0 EEAAMP C[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](CC2CCC(F)(F)CC2)CC1 ZINC000980840347 775780422 /nfs/dbraw/zinc/78/04/22/775780422.db2.gz YLQKJIUVOMJXOK-INIZCTEOSA-N 2 1 343.462 2.440 50 0 EEAAMP CCC[N@H+]1CC2(C[C@H]1C(=O)NCCc1ccc(C)o1)CC[NH+](C)CC2 ZINC000072410504 216201979 /nfs/dbraw/zinc/20/19/79/216201979.db2.gz STGSBQIWABCMIY-SFHVURJKSA-N 2 1 347.503 2.443 50 0 EEAAMP CC(C)(CNc1cc([C@H]2C[C@H]([NH3+])C2)nc(C2CC2)n1)[NH+]1CCOCC1 ZINC000253393846 464999368 /nfs/dbraw/zinc/99/93/68/464999368.db2.gz PXZXOFAQXMPPBV-SHTZXODSSA-N 2 1 345.491 2.081 50 0 EEAAMP CCC[NH+]1CCC(Cc2noc(-c3n[nH]c4c3C[N@@H+](C)CC4)n2)CC1 ZINC000067758880 215205818 /nfs/dbraw/zinc/20/58/18/215205818.db2.gz TXNRBOFLIJGAAY-UHFFFAOYSA-N 2 1 344.463 2.112 50 0 EEAAMP Cc1ccc(C[N@H+]2CC[C@@H](CNC(=O)C3CC[NH2+]CC3)C2)c(C)c1F ZINC000067919739 215250451 /nfs/dbraw/zinc/25/04/51/215250451.db2.gz RCLKHMQQDVKDDK-INIZCTEOSA-N 2 1 347.478 2.380 50 0 EEAAMP C[N@@H+](CCC1CCOCC1)[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1O ZINC000023399288 212375989 /nfs/dbraw/zinc/37/59/89/212375989.db2.gz IJZVRWXNMNNBAL-UXHICEINSA-N 2 1 344.499 2.472 50 0 EEAAMP CN1c2ccccc2C2(CC[NH+](CC[C@@H]3CCC[N@H+]3C)CC2)C1=O ZINC000072145319 277078022 /nfs/dbraw/zinc/07/80/22/277078022.db2.gz RLMKSKFMHLRVSP-INIZCTEOSA-N 2 1 327.472 2.481 50 0 EEAAMP O=C1CC[C@@]2(CCC[N@H+](C3CC[NH2+]CC3)C2)CN1Cc1ccncc1 ZINC000072469721 280258553 /nfs/dbraw/zinc/25/85/53/280258553.db2.gz FCIDVOJHZRKUCM-HXUWFJFHSA-N 2 1 342.487 2.038 50 0 EEAAMP CC[NH+]1CCN(C(=O)CCC2CC[NH+]([C@H]3CCSC3)CC2)CC1 ZINC000023542131 681652283 /nfs/dbraw/zinc/65/22/83/681652283.db2.gz ZQXSWVKYQBZQBS-KRWDZBQOSA-N 2 1 339.549 2.148 50 0 EEAAMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc(OCC(=O)N3CCCC3)cc2)CC1 ZINC000097674112 219045866 /nfs/dbraw/zinc/04/58/66/219045866.db2.gz GYEMGPGUPHGDEO-QGZVFWFLSA-N 2 1 331.460 2.001 50 0 EEAAMP CCC(CC)[N@H+]1CCN(C2CC[NH+](C(C)C)CC2)[C@@H](CCO)C1 ZINC000023373481 282185395 /nfs/dbraw/zinc/18/53/95/282185395.db2.gz GXBSRBDJAQAGBE-IBGZPJMESA-N 2 1 325.541 2.416 50 0 EEAAMP Cc1ccccc1CNC(=O)NC[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000067895875 215243142 /nfs/dbraw/zinc/24/31/42/215243142.db2.gz ZGMVLOHZTYJSLX-KRWDZBQOSA-N 2 1 344.503 2.210 50 0 EEAAMP Cc1ccccc1CNC(=O)NC[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000067895875 215243144 /nfs/dbraw/zinc/24/31/44/215243144.db2.gz ZGMVLOHZTYJSLX-KRWDZBQOSA-N 2 1 344.503 2.210 50 0 EEAAMP Cc1ccc(C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)o1 ZINC000039499942 213237196 /nfs/dbraw/zinc/23/71/96/213237196.db2.gz LAFGJPMDJBPLAV-LJQANCHMSA-N 2 1 349.519 2.329 50 0 EEAAMP Cc1ccc(C[N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)o1 ZINC000039499942 213237197 /nfs/dbraw/zinc/23/71/97/213237197.db2.gz LAFGJPMDJBPLAV-LJQANCHMSA-N 2 1 349.519 2.329 50 0 EEAAMP CCC[N@H+]1CC2(C[C@@H]1C(=O)NCCc1ccc(C)o1)CC[NH+](C)CC2 ZINC000072410503 216203053 /nfs/dbraw/zinc/20/30/53/216203053.db2.gz STGSBQIWABCMIY-GOSISDBHSA-N 2 1 347.503 2.443 50 0 EEAAMP CC(C)c1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](C(CO)CO)C3)C2)cc1 ZINC000072468500 216247560 /nfs/dbraw/zinc/24/75/60/216247560.db2.gz SBMJWLIEEHUTDN-NRFANRHFSA-N 2 1 346.515 2.451 50 0 EEAAMP CC(C)c1ccc(C[N@H+]2CCC[C@]3(CC[NH+](C(CO)CO)C3)C2)cc1 ZINC000072468500 216247562 /nfs/dbraw/zinc/24/75/62/216247562.db2.gz SBMJWLIEEHUTDN-NRFANRHFSA-N 2 1 346.515 2.451 50 0 EEAAMP CC(C)c1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](C(CO)CO)C3)C2)cc1 ZINC000072468500 216247564 /nfs/dbraw/zinc/24/75/64/216247564.db2.gz SBMJWLIEEHUTDN-NRFANRHFSA-N 2 1 346.515 2.451 50 0 EEAAMP CC(C)c1ccc(C[NH+]2CCC[C@]3(CC[N@H+](C(CO)CO)C3)C2)cc1 ZINC000072468500 216247566 /nfs/dbraw/zinc/24/75/66/216247566.db2.gz SBMJWLIEEHUTDN-NRFANRHFSA-N 2 1 346.515 2.451 50 0 EEAAMP Cc1ccc(OCC[NH3+])c(C(=O)N2CC([N@@H+]3CCCC[C@@H]3C)C2)c1 ZINC000426478136 241294629 /nfs/dbraw/zinc/29/46/29/241294629.db2.gz YWKUDVPDEFVVRZ-HNNXBMFYSA-N 2 1 331.460 2.031 50 0 EEAAMP C[N@H+](CCc1ccccc1)Cc1nnc([C@H]2C[C@H]([NH3+])C2)n1C1CC1 ZINC000244873568 243090786 /nfs/dbraw/zinc/09/07/86/243090786.db2.gz WSGGUHKUXFOVRR-WKILWMFISA-N 2 1 325.460 2.492 50 0 EEAAMP C[N@@H+](CCc1ccccc1)Cc1nnc([C@H]2C[C@H]([NH3+])C2)n1C1CC1 ZINC000244873568 243090792 /nfs/dbraw/zinc/09/07/92/243090792.db2.gz WSGGUHKUXFOVRR-WKILWMFISA-N 2 1 325.460 2.492 50 0 EEAAMP CCCCSc1nc(N[C@H]2COC3(C2)CC[NH2+]CC3)cc(N)[nH+]1 ZINC000095357072 218290786 /nfs/dbraw/zinc/29/07/86/218290786.db2.gz VBTCRMFQEVYQIX-GFCCVEGCSA-N 2 1 337.493 2.274 50 0 EEAAMP CCCCSc1nc(N)cc(N[C@H]2COC3(C2)CC[NH2+]CC3)[nH+]1 ZINC000095357072 218290788 /nfs/dbraw/zinc/29/07/88/218290788.db2.gz VBTCRMFQEVYQIX-GFCCVEGCSA-N 2 1 337.493 2.274 50 0 EEAAMP c1cnn(CCC[N@H+]2CCOC3(CCN(c4cc[nH+]cc4)CC3)C2)c1 ZINC000952977278 796122160 /nfs/dbraw/zinc/12/21/60/796122160.db2.gz PUWCFYUQDUUIEP-UHFFFAOYSA-N 2 1 341.459 2.040 50 0 EEAAMP CCc1cc(NCCC[N@H+]2CCC[C@H](CO)C2)nc(N2CCCC2)[nH+]1 ZINC001506415362 1114600264 /nfs/dbraw/zinc/60/02/64/1114600264.db2.gz WZCNAHAMYKZCJZ-INIZCTEOSA-N 2 1 347.507 2.146 50 0 EEAAMP NC(=O)CC[N@H+]1CC[C@]2(C1)CCCN(Cc1cccc(F)c1F)C2 ZINC000426635324 241319269 /nfs/dbraw/zinc/31/92/69/241319269.db2.gz JKPGROIPIAZVLX-SFHVURJKSA-N 2 1 337.414 2.128 50 0 EEAAMP NC(=O)CC[N@H+]1CC[C@@]2(C1)CCCN(Cc1cccc(F)c1F)C2 ZINC000426635323 241320704 /nfs/dbraw/zinc/32/07/04/241320704.db2.gz JKPGROIPIAZVLX-GOSISDBHSA-N 2 1 337.414 2.128 50 0 EEAAMP Cc1cc(C)c(C[N@H+]2C[C@H](CO)[C@H](CN(C)CC[NH+](C)C)C2)c(C)c1 ZINC000091585651 218024707 /nfs/dbraw/zinc/02/47/07/218024707.db2.gz WVLGTQZNSCAVGJ-WOJBJXKFSA-N 2 1 347.547 2.146 50 0 EEAAMP COCCC[NH+]1CCC2(CC1)CC[N@@H+](Cc1ccco1)C[C@@H]2CO ZINC000097307505 219011087 /nfs/dbraw/zinc/01/10/87/219011087.db2.gz MEVQOTIQVXVEMO-QGZVFWFLSA-N 2 1 336.476 2.213 50 0 EEAAMP [NH3+]CC1CCN(C(=O)[C@H]2C[C@@H](c3ccccc3)[N@H+]3CCC[C@H]23)CC1 ZINC000299784386 258092082 /nfs/dbraw/zinc/09/20/82/258092082.db2.gz PBJALUSFGURBOD-OTWHNJEPSA-N 2 1 327.472 2.409 50 0 EEAAMP c1ccc(CN2CC[NH+](C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC2)nc1 ZINC000063832542 793915795 /nfs/dbraw/zinc/91/57/95/793915795.db2.gz WSBGLQABTUJYRH-AZUAARDMSA-N 2 1 328.504 2.464 50 0 EEAAMP c1ccc(CN2CC[NH+](C[C@@H]3CCC[N@H+]4CCCC[C@H]34)CC2)nc1 ZINC000063832542 793915796 /nfs/dbraw/zinc/91/57/96/793915796.db2.gz WSBGLQABTUJYRH-AZUAARDMSA-N 2 1 328.504 2.464 50 0 EEAAMP C[NH+](C)C[C@]1(O)CCC[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000072166031 216055392 /nfs/dbraw/zinc/05/53/92/216055392.db2.gz OQEMSJUPXVRKPF-IBGZPJMESA-N 2 1 346.450 2.494 50 0 EEAAMP CCC[N@H+]1CC2(C[C@H]1C(=O)NCCc1ccco1)CC[NH+](C)CC2 ZINC000072419638 216207729 /nfs/dbraw/zinc/20/77/29/216207729.db2.gz OSIIWGVFNYBFMH-KRWDZBQOSA-N 2 1 333.476 2.135 50 0 EEAAMP O=C1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2N1CC1CC[NH2+]CC1 ZINC000072480125 216259796 /nfs/dbraw/zinc/25/97/96/216259796.db2.gz UYDDNNHHAJHEQO-VQTJNVASSA-N 2 1 341.499 2.499 50 0 EEAAMP Cc1ccccc1C[NH+]1CCN(C(=O)NC[C@@]2(C)CC[N@@H+](C)C2)CC1 ZINC000426677963 241326106 /nfs/dbraw/zinc/32/61/06/241326106.db2.gz HYSODEXFMZFNCW-HXUWFJFHSA-N 2 1 344.503 2.164 50 0 EEAAMP Cc1ccccc1C[NH+]1CCN(C(=O)NC[C@@]2(C)CC[N@H+](C)C2)CC1 ZINC000426677963 241326112 /nfs/dbraw/zinc/32/61/12/241326112.db2.gz HYSODEXFMZFNCW-HXUWFJFHSA-N 2 1 344.503 2.164 50 0 EEAAMP CC[N@H+]1CCC[C@H]1CSc1nnc(C[NH3+])n1-c1cccc(OC)c1 ZINC000426429074 241283991 /nfs/dbraw/zinc/28/39/91/241283991.db2.gz ZJQGMEIHYMPWHO-AWEZNQCLSA-N 2 1 347.488 2.311 50 0 EEAAMP C[N@@H+]1CCC[C@H](CCC(=O)N2CCC[NH+](Cc3ccccn3)CC2)C1 ZINC000095358838 218292069 /nfs/dbraw/zinc/29/20/69/218292069.db2.gz OWQUVHQKSPQMGE-GOSISDBHSA-N 2 1 344.503 2.238 50 0 EEAAMP C[N@H+]1CCC[C@H](CCC(=O)N2CCC[NH+](Cc3ccccn3)CC2)C1 ZINC000095358838 218292072 /nfs/dbraw/zinc/29/20/72/218292072.db2.gz OWQUVHQKSPQMGE-GOSISDBHSA-N 2 1 344.503 2.238 50 0 EEAAMP C[NH+]1CCC[C@H](CCC(=O)N2CCC[N@H+](Cc3ccccn3)CC2)C1 ZINC000095358838 218292076 /nfs/dbraw/zinc/29/20/76/218292076.db2.gz OWQUVHQKSPQMGE-GOSISDBHSA-N 2 1 344.503 2.238 50 0 EEAAMP C[NH+]1CCC[C@H](CCC(=O)N2CCC[N@@H+](Cc3ccccn3)CC2)C1 ZINC000095358838 218292078 /nfs/dbraw/zinc/29/20/78/218292078.db2.gz OWQUVHQKSPQMGE-GOSISDBHSA-N 2 1 344.503 2.238 50 0 EEAAMP C[NH2+]CC[NH2+]C1CCN(c2cccc(-c3ccnc(C)n3)c2)CC1 ZINC000063882412 462680860 /nfs/dbraw/zinc/68/08/60/462680860.db2.gz AZRIRIBBYOWMJR-UHFFFAOYSA-N 2 1 325.460 2.230 50 0 EEAAMP C[NH+]1CCN(C(=O)CC[C@@H]2CCC[N@@H+](C3CCSCC3)C2)CC1 ZINC000014974395 462937278 /nfs/dbraw/zinc/93/72/78/462937278.db2.gz BNHPCSLCFTZJHN-INIZCTEOSA-N 2 1 339.549 2.148 50 0 EEAAMP C[NH+]1CCN(C(=O)CC[C@@H]2CCC[N@H+](C3CCSCC3)C2)CC1 ZINC000014974395 462937283 /nfs/dbraw/zinc/93/72/83/462937283.db2.gz BNHPCSLCFTZJHN-INIZCTEOSA-N 2 1 339.549 2.148 50 0 EEAAMP Cc1ccc(CN(C)C(=O)[C@H]2CCC[N@@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000015068117 462939479 /nfs/dbraw/zinc/93/94/79/462939479.db2.gz YGPURHZVCOHMEO-INIZCTEOSA-N 2 1 333.476 2.353 50 0 EEAAMP Cc1ccc(CN(C)C(=O)[C@H]2CCC[N@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000015068117 462939483 /nfs/dbraw/zinc/93/94/83/462939483.db2.gz YGPURHZVCOHMEO-INIZCTEOSA-N 2 1 333.476 2.353 50 0 EEAAMP CCCc1cncnc1N1CCC([N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)CC1 ZINC000096149624 463187655 /nfs/dbraw/zinc/18/76/55/463187655.db2.gz CJKUNXWCIILSAC-FUHWJXTLSA-N 2 1 329.492 2.082 50 0 EEAAMP CC[N@H+]1CCC[C@@H]1CSc1nnc(C[NH3+])n1-c1ccc(OC)cc1 ZINC000426567138 682025156 /nfs/dbraw/zinc/02/51/56/682025156.db2.gz SUDUNYDHLJEPOE-CQSZACIVSA-N 2 1 347.488 2.311 50 0 EEAAMP c1ccc(C[NH+]2CCC3(CC2)C[N@H+]([C@@H]2CCSC2)CCO3)nc1 ZINC000820430469 798579326 /nfs/dbraw/zinc/57/93/26/798579326.db2.gz BOOWLVAOFBOWPI-QGZVFWFLSA-N 2 1 333.501 2.254 50 0 EEAAMP COCC[N@@H+]1CC[C@H](C(=O)Nc2ccccc2Cn2cc[nH+]c2C)C1 ZINC000824412355 800265313 /nfs/dbraw/zinc/26/53/13/800265313.db2.gz HTJNIROFCUSDHZ-KRWDZBQOSA-N 2 1 342.443 2.147 50 0 EEAAMP COCC[N@H+]1CC[C@H](C(=O)Nc2ccccc2Cn2cc[nH+]c2C)C1 ZINC000824412355 800265316 /nfs/dbraw/zinc/26/53/16/800265316.db2.gz HTJNIROFCUSDHZ-KRWDZBQOSA-N 2 1 342.443 2.147 50 0 EEAAMP Cc1[nH+]ccn1-c1ccc(CNc2cc(C3CC([NH3+])C3)nc(N)n2)cc1 ZINC000222495130 539658208 /nfs/dbraw/zinc/65/82/08/539658208.db2.gz KRUMJWXJCJKZCG-UHFFFAOYSA-N 2 1 349.442 2.370 50 0 EEAAMP C[NH2+]C(C)(C)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(C)c(F)c2F)C1 ZINC000067818279 215219235 /nfs/dbraw/zinc/21/92/35/215219235.db2.gz CMQTZLPFNCDBKJ-ZDUSSCGKSA-N 2 1 339.430 2.209 50 0 EEAAMP CO[C@@]1(C)C[C@@H]([N@@H+](C)CC(=O)NC2CC[NH+](C(C)C)CC2)C1(C)C ZINC000110646610 220051320 /nfs/dbraw/zinc/05/13/20/220051320.db2.gz CKBFGZXGFWHPEE-APWZRJJASA-N 2 1 339.524 2.111 50 0 EEAAMP C[NH+](C)CCC[N@H+](C)[C@H]1CCCN(C(=O)c2ccnc(Cl)c2)C1 ZINC000011814191 211249525 /nfs/dbraw/zinc/24/95/25/211249525.db2.gz PCMRHNWEXYBHJQ-HNNXBMFYSA-N 2 1 338.883 2.223 50 0 EEAAMP C[NH+](C)CCC[N@@H+](C)[C@H]1CCCN(C(=O)c2ccnc(Cl)c2)C1 ZINC000011814191 211249528 /nfs/dbraw/zinc/24/95/28/211249528.db2.gz PCMRHNWEXYBHJQ-HNNXBMFYSA-N 2 1 338.883 2.223 50 0 EEAAMP C[N@H+](C[C@@H](O)CO[C@@H]1CCCc2ccccc21)C1CC[NH+](C)CC1 ZINC000005887674 462671346 /nfs/dbraw/zinc/67/13/46/462671346.db2.gz XQGWLXAHYUIKSO-UYAOXDASSA-N 2 1 332.488 2.468 50 0 EEAAMP C[N@@H+](C[C@@H](O)CO[C@@H]1CCCc2ccccc21)C1CC[NH+](C)CC1 ZINC000005887674 462671349 /nfs/dbraw/zinc/67/13/49/462671349.db2.gz XQGWLXAHYUIKSO-UYAOXDASSA-N 2 1 332.488 2.468 50 0 EEAAMP C[NH+](C)CCCn1cc[nH+]c1[C@H]1CCCN(c2nc(CO)cs2)C1 ZINC000095529902 463105292 /nfs/dbraw/zinc/10/52/92/463105292.db2.gz NPWWRTKVZTVSRR-AWEZNQCLSA-N 2 1 349.504 2.168 50 0 EEAAMP Cc1ccc(NC(=O)C[NH+](C)C)cc1NC(=O)C[C@@H]1CCCC[N@@H+]1C ZINC000823676186 798757114 /nfs/dbraw/zinc/75/71/14/798757114.db2.gz RCCYJKUGRJFAHX-INIZCTEOSA-N 2 1 346.475 2.308 50 0 EEAAMP Cc1ccc(NC(=O)C[NH+](C)C)cc1NC(=O)C[C@@H]1CCCC[N@H+]1C ZINC000823676186 798757118 /nfs/dbraw/zinc/75/71/18/798757118.db2.gz RCCYJKUGRJFAHX-INIZCTEOSA-N 2 1 346.475 2.308 50 0 EEAAMP C[NH+](C)C[C@]1(O)CCC[N@@H+](Cc2ccc(-n3cccn3)cc2)CC1 ZINC000072148860 216036296 /nfs/dbraw/zinc/03/62/96/216036296.db2.gz FJTUNANIESSOJF-IBGZPJMESA-N 2 1 328.460 2.151 50 0 EEAAMP O=C(C[NH+]1CCCC1)N1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccccc2)C1 ZINC000095377726 463071730 /nfs/dbraw/zinc/07/17/30/463071730.db2.gz SLLPSOOSVFHLJM-RTBURBONSA-N 2 1 327.472 2.205 50 0 EEAAMP C[NH+](C)C[C@@H](O)COc1ccc(C[N@@H+](C)C2CCSCC2)cc1 ZINC000095509208 463099622 /nfs/dbraw/zinc/09/96/22/463099622.db2.gz NEVHKWUMHQOZNK-QGZVFWFLSA-N 2 1 338.517 2.315 50 0 EEAAMP CCC[N@@H+]1CC[C@H](CNC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000054510551 463239794 /nfs/dbraw/zinc/23/97/94/463239794.db2.gz VEQUTVWQJNDUER-LJQANCHMSA-N 2 1 344.503 2.246 50 0 EEAAMP CCC[N@H+]1CC[C@H](CNC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000054510551 463239798 /nfs/dbraw/zinc/23/97/98/463239798.db2.gz VEQUTVWQJNDUER-LJQANCHMSA-N 2 1 344.503 2.246 50 0 EEAAMP Cc1cc(N)[nH+]cc1-c1ccc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000426497069 467143062 /nfs/dbraw/zinc/14/30/62/467143062.db2.gz BTSLUSRBQJTXOZ-KRWDZBQOSA-N 2 1 336.439 2.559 50 0 EEAAMP Cc1cc(N)[nH+]cc1-c1ccc(C(=O)N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000426497069 467143064 /nfs/dbraw/zinc/14/30/64/467143064.db2.gz BTSLUSRBQJTXOZ-KRWDZBQOSA-N 2 1 336.439 2.559 50 0 EEAAMP CN(CCC[NH+]1CCCCCC1)c1cc([C@H]2CCOC2)[nH+]c(N)n1 ZINC000426669172 467144495 /nfs/dbraw/zinc/14/44/95/467144495.db2.gz WAZDDRWVWQVEGT-HNNXBMFYSA-N 2 1 333.480 2.265 50 0 EEAAMP COCC[N@H+]1CC[C@@H](C[NH2+]Cc2cn(C)nc2-c2ccccc2F)C1 ZINC000011771447 798419522 /nfs/dbraw/zinc/41/95/22/798419522.db2.gz GHVPHPWIVLIQDH-HNNXBMFYSA-N 2 1 346.450 2.284 50 0 EEAAMP CCC[N@H+]1CC2(C[C@H]1C(=O)NCc1c(C)noc1C)CC[NH+](C)CC2 ZINC000072427848 216219730 /nfs/dbraw/zinc/21/97/30/216219730.db2.gz CHEIQOAJGIIORA-KRWDZBQOSA-N 2 1 348.491 2.104 50 0 EEAAMP CCCCc1c(C)[nH+]c(N)nc1N1CCC([N@H+]2CCC[C@@H](O)C2)CC1 ZINC000091663527 218042072 /nfs/dbraw/zinc/04/20/72/218042072.db2.gz IHRXYHKUGVTJLJ-MRXNPFEDSA-N 2 1 347.507 2.135 50 0 EEAAMP CC[NH+]1CCN(C(=O)C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000006493441 462686849 /nfs/dbraw/zinc/68/68/49/462686849.db2.gz RXKQNMKZGKWHBI-UHFFFAOYSA-N 2 1 343.515 2.495 50 0 EEAAMP CCC[NH+]1CCC([NH2+]Cc2cc3c(=O)n(CC)cc-3[nH]c2OC)CC1 ZINC000071749174 463420457 /nfs/dbraw/zinc/42/04/57/463420457.db2.gz HTKLEMOPJBQYQB-UHFFFAOYSA-N 2 1 346.475 2.030 50 0 EEAAMP Cc1[nH+]cn(CCNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1C ZINC000221157975 464119771 /nfs/dbraw/zinc/11/97/71/464119771.db2.gz OKNAETZGZNUNKN-SFHVURJKSA-N 2 1 326.444 2.281 50 0 EEAAMP Cc1[nH+]cn(CCNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)c1C ZINC000221157975 464119778 /nfs/dbraw/zinc/11/97/78/464119778.db2.gz OKNAETZGZNUNKN-SFHVURJKSA-N 2 1 326.444 2.281 50 0 EEAAMP Cc1ccc(NC(=O)C[NH+](C)C)cc1NC(=O)C[C@H]1CCCC[N@@H+]1C ZINC000823676187 798757146 /nfs/dbraw/zinc/75/71/46/798757146.db2.gz RCCYJKUGRJFAHX-MRXNPFEDSA-N 2 1 346.475 2.308 50 0 EEAAMP Cc1ccc(NC(=O)C[NH+](C)C)cc1NC(=O)C[C@H]1CCCC[N@H+]1C ZINC000823676187 798757149 /nfs/dbraw/zinc/75/71/49/798757149.db2.gz RCCYJKUGRJFAHX-MRXNPFEDSA-N 2 1 346.475 2.308 50 0 EEAAMP CCn1nc(C)c(C[N@@H+]2C[C@H](CO)[C@H](C[NH+]3CCCCCC3)C2)c1C ZINC000091974190 218096760 /nfs/dbraw/zinc/09/67/60/218096760.db2.gz FFIIUEBDLCTYGA-RTBURBONSA-N 2 1 348.535 2.436 50 0 EEAAMP CCn1nc(C)c(C[N@H+]2C[C@H](CO)[C@H](C[NH+]3CCCCCC3)C2)c1C ZINC000091974190 218096763 /nfs/dbraw/zinc/09/67/63/218096763.db2.gz FFIIUEBDLCTYGA-RTBURBONSA-N 2 1 348.535 2.436 50 0 EEAAMP Cc1ccc([C@@H](C(=O)NCCCOC2CC[NH+](C)CC2)[NH+](C)C)cc1 ZINC000095382976 218315913 /nfs/dbraw/zinc/31/59/13/218315913.db2.gz SRJFXKXCEQUUML-IBGZPJMESA-N 2 1 347.503 2.215 50 0 EEAAMP C[NH+]1CCC(C(=O)NCC[N@H+]2CCC[C@H](c3ccccc3)C2)CC1 ZINC000097515077 219032854 /nfs/dbraw/zinc/03/28/54/219032854.db2.gz WIFATAHWKLOWQZ-IBGZPJMESA-N 2 1 329.488 2.324 50 0 EEAAMP Cc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[NH+](C2CCSCC2)CC1 ZINC000299798557 258102346 /nfs/dbraw/zinc/10/23/46/258102346.db2.gz SIJGGSQRYQCMEZ-AWEZNQCLSA-N 2 1 336.505 2.182 50 0 EEAAMP C[N@H+](C[C@@H](O)COCc1ccccc1Cl)C1CC[NH+](C)CC1 ZINC000006936248 462713079 /nfs/dbraw/zinc/71/30/79/462713079.db2.gz MZQJGZAZIPQTPV-MRXNPFEDSA-N 2 1 326.868 2.244 50 0 EEAAMP C[N@@H+](C[C@@H](O)COCc1ccccc1Cl)C1CC[NH+](C)CC1 ZINC000006936248 462713083 /nfs/dbraw/zinc/71/30/83/462713083.db2.gz MZQJGZAZIPQTPV-MRXNPFEDSA-N 2 1 326.868 2.244 50 0 EEAAMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+](C)[C@H](C)c2ccccc2)C1 ZINC000105870467 463483345 /nfs/dbraw/zinc/48/33/45/463483345.db2.gz XSQZGSUVIZIZAX-MJGOQNOKSA-N 2 1 347.503 2.152 50 0 EEAAMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+](C)[C@H](C)c2ccccc2)C1 ZINC000105870467 463483348 /nfs/dbraw/zinc/48/33/48/463483348.db2.gz XSQZGSUVIZIZAX-MJGOQNOKSA-N 2 1 347.503 2.152 50 0 EEAAMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](C)[C@H](C)c2ccccc2)C1 ZINC000105870467 463483351 /nfs/dbraw/zinc/48/33/51/463483351.db2.gz XSQZGSUVIZIZAX-MJGOQNOKSA-N 2 1 347.503 2.152 50 0 EEAAMP C[N@@H+]1CCC[C@H](c2nc(Cc3cccnc3)nn2-c2cc[nH+]cc2)C1 ZINC000670452515 485647863 /nfs/dbraw/zinc/64/78/63/485647863.db2.gz RPHNHGFNPFDFLA-INIZCTEOSA-N 2 1 334.427 2.457 50 0 EEAAMP C[N@H+]1CCC[C@H](c2nc(Cc3cccnc3)nn2-c2cc[nH+]cc2)C1 ZINC000670452515 485647866 /nfs/dbraw/zinc/64/78/66/485647866.db2.gz RPHNHGFNPFDFLA-INIZCTEOSA-N 2 1 334.427 2.457 50 0 EEAAMP CN(C)C(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000012072867 799751112 /nfs/dbraw/zinc/75/11/12/799751112.db2.gz LEOBIPWMWXSFNA-GOSISDBHSA-N 2 1 329.488 2.451 50 0 EEAAMP CN(C)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000012072867 799751120 /nfs/dbraw/zinc/75/11/20/799751120.db2.gz LEOBIPWMWXSFNA-GOSISDBHSA-N 2 1 329.488 2.451 50 0 EEAAMP CN(C)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000012072867 799751127 /nfs/dbraw/zinc/75/11/27/799751127.db2.gz LEOBIPWMWXSFNA-GOSISDBHSA-N 2 1 329.488 2.451 50 0 EEAAMP CO[C@@]1(C)C[C@H]([N@@H+](C)CC(=O)NC2CC[NH+](C(C)C)CC2)C1(C)C ZINC000110646605 220051362 /nfs/dbraw/zinc/05/13/62/220051362.db2.gz CKBFGZXGFWHPEE-LPHOPBHVSA-N 2 1 339.524 2.111 50 0 EEAAMP C[NH+](C)CC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](CCCc1ccccc1)C2 ZINC000091551995 462887750 /nfs/dbraw/zinc/88/77/50/462887750.db2.gz CQYKWNUGMNRYKM-RBUKOAKNSA-N 2 1 329.488 2.104 50 0 EEAAMP C[NH+](C)CC(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](CCCc1ccccc1)C2 ZINC000091551995 462887753 /nfs/dbraw/zinc/88/77/53/462887753.db2.gz CQYKWNUGMNRYKM-RBUKOAKNSA-N 2 1 329.488 2.104 50 0 EEAAMP COc1cc(C[N@@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)ccc1F ZINC000216168994 536757749 /nfs/dbraw/zinc/75/77/49/536757749.db2.gz WSDXSGIGRWQLNS-QGZVFWFLSA-N 2 1 335.467 2.294 50 0 EEAAMP COc1cc(C[N@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)ccc1F ZINC000216168994 536757754 /nfs/dbraw/zinc/75/77/54/536757754.db2.gz WSDXSGIGRWQLNS-QGZVFWFLSA-N 2 1 335.467 2.294 50 0 EEAAMP [NH3+]CCc1nnc(NC2CC[NH+](Cc3ccccc3Cl)CC2)o1 ZINC001772710479 1179300290 /nfs/dbraw/zinc/30/02/90/1179300290.db2.gz RPPUDTDHJZLBOU-UHFFFAOYSA-N 2 1 335.839 2.301 50 0 EEAAMP CCOc1cc2c(cc1C[NH+]1CCN([C@@H]3CC[NH2+]C3)CC1)CCC2 ZINC000097766837 219056007 /nfs/dbraw/zinc/05/60/07/219056007.db2.gz FUOXFKHAIJYKRI-LJQANCHMSA-N 2 1 329.488 2.054 50 0 EEAAMP COc1ccc(-n2cccn2)c(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000067641768 215172852 /nfs/dbraw/zinc/17/28/52/215172852.db2.gz HJRQAAZGYBDUDS-LJQANCHMSA-N 2 1 326.444 2.456 50 0 EEAAMP COc1ccc(-n2cccn2)c(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000067641768 215172855 /nfs/dbraw/zinc/17/28/55/215172855.db2.gz HJRQAAZGYBDUDS-LJQANCHMSA-N 2 1 326.444 2.456 50 0 EEAAMP CC(C)C[NH+]1CCC([NH2+]Cc2ccc3c(c2)n(C)c(=O)n3C)CC1 ZINC000067677972 215183469 /nfs/dbraw/zinc/18/34/69/215183469.db2.gz BVHCPWIWTGEFSC-UHFFFAOYSA-N 2 1 330.476 2.087 50 0 EEAAMP C[NH2+]C(C)(C)C(=O)NC[C@H]1CC[N@@H+](Cc2ccc(C)c(F)c2F)C1 ZINC000067818277 215219849 /nfs/dbraw/zinc/21/98/49/215219849.db2.gz CMQTZLPFNCDBKJ-CYBMUJFWSA-N 2 1 339.430 2.209 50 0 EEAAMP C[NH+]1CCN(C(=O)NCC[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000426715795 241330934 /nfs/dbraw/zinc/33/09/34/241330934.db2.gz AQFTZGSPJWUOFN-LJQANCHMSA-N 2 1 344.503 2.388 50 0 EEAAMP C[NH+]1CCN(C(=O)NCC[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000426715795 241330937 /nfs/dbraw/zinc/33/09/37/241330937.db2.gz AQFTZGSPJWUOFN-LJQANCHMSA-N 2 1 344.503 2.388 50 0 EEAAMP COCCN(C(=O)[C@@H](c1ccccc1C)[NH+](C)C)C1CC[NH+](C)CC1 ZINC000095388276 218320267 /nfs/dbraw/zinc/32/02/67/218320267.db2.gz PTWLWNVWQRPCOM-LJQANCHMSA-N 2 1 347.503 2.167 50 0 EEAAMP Cc1ccc([C@H](C(=O)NCCCOC2CC[NH+](C)CC2)[NH+](C)C)cc1 ZINC000095382977 218315850 /nfs/dbraw/zinc/31/58/50/218315850.db2.gz SRJFXKXCEQUUML-LJQANCHMSA-N 2 1 347.503 2.215 50 0 EEAAMP C[N@@H+]1CCCN(C(=O)Nc2c(F)cccc2F)CC12CC[NH2+]CC2 ZINC000097594832 219036961 /nfs/dbraw/zinc/03/69/61/219036961.db2.gz XRCYRBSRNBMBIV-UHFFFAOYSA-N 2 1 338.402 2.256 50 0 EEAAMP C[N@H+]1CCCN(C(=O)Nc2c(F)cccc2F)CC12CC[NH2+]CC2 ZINC000097594832 219036964 /nfs/dbraw/zinc/03/69/64/219036964.db2.gz XRCYRBSRNBMBIV-UHFFFAOYSA-N 2 1 338.402 2.256 50 0 EEAAMP C[NH+](C)CCC[N@H+](C)[C@@H]1CCCN(C(=O)CCc2ccccc2)C1 ZINC000014968128 462936926 /nfs/dbraw/zinc/93/69/26/462936926.db2.gz KBNZNEUBYCVOGB-LJQANCHMSA-N 2 1 331.504 2.494 50 0 EEAAMP C[NH+](C)CCC[N@@H+](C)[C@@H]1CCCN(C(=O)CCc2ccccc2)C1 ZINC000014968128 462936931 /nfs/dbraw/zinc/93/69/31/462936931.db2.gz KBNZNEUBYCVOGB-LJQANCHMSA-N 2 1 331.504 2.494 50 0 EEAAMP CN1CCN(C(=O)CC[C@H]2CCC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000015074881 1226511032 /nfs/dbraw/zinc/51/10/32/1226511032.db2.gz MFCCHUUEGJUKCW-HXUWFJFHSA-N 2 1 343.515 2.495 50 0 EEAAMP C[NH+]1CCN(C(=O)CC[C@H]2CCC[N@H+](CCc3ccccc3)C2)CC1 ZINC000015074881 1226511037 /nfs/dbraw/zinc/51/10/37/1226511037.db2.gz MFCCHUUEGJUKCW-HXUWFJFHSA-N 2 1 343.515 2.495 50 0 EEAAMP C[NH+]1CCN(C(=O)CC[C@H]2CCC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000015074881 1226511042 /nfs/dbraw/zinc/51/10/42/1226511042.db2.gz MFCCHUUEGJUKCW-HXUWFJFHSA-N 2 1 343.515 2.495 50 0 EEAAMP COCCc1noc([C@@H]2CCC[N@H+](CCCn3cc[nH+]c3C)C2)n1 ZINC000244708113 243063054 /nfs/dbraw/zinc/06/30/54/243063054.db2.gz KNQDSOBKAFZMLB-OAHLLOKOSA-N 2 1 333.436 2.033 50 0 EEAAMP COCCc1noc([C@@H]2CCC[N@@H+](CCCn3cc[nH+]c3C)C2)n1 ZINC000244708113 243063061 /nfs/dbraw/zinc/06/30/61/243063061.db2.gz KNQDSOBKAFZMLB-OAHLLOKOSA-N 2 1 333.436 2.033 50 0 EEAAMP COCC[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cccc4nonc43)C2)C1 ZINC000011753580 211243758 /nfs/dbraw/zinc/24/37/58/211243758.db2.gz ZZIAECIYCNYGPP-GOSISDBHSA-N 2 1 330.432 2.157 50 0 EEAAMP COCC[N@H+]1CCC[C@@]2(CC[NH+](Cc3cccc4nonc43)C2)C1 ZINC000011753580 211243761 /nfs/dbraw/zinc/24/37/61/211243761.db2.gz ZZIAECIYCNYGPP-GOSISDBHSA-N 2 1 330.432 2.157 50 0 EEAAMP COCC[NH+]1CCC[C@@]2(CC[N@H+](Cc3cccc4nonc43)C2)C1 ZINC000011753580 211243764 /nfs/dbraw/zinc/24/37/64/211243764.db2.gz ZZIAECIYCNYGPP-GOSISDBHSA-N 2 1 330.432 2.157 50 0 EEAAMP COCC[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cccc4nonc43)C2)C1 ZINC000011753580 211243766 /nfs/dbraw/zinc/24/37/66/211243766.db2.gz ZZIAECIYCNYGPP-GOSISDBHSA-N 2 1 330.432 2.157 50 0 EEAAMP CN(CC[NH+](C)C)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000110657505 289128745 /nfs/dbraw/zinc/12/87/45/289128745.db2.gz JIXOXLWLOAXZOX-ZWKOTPCHSA-N 2 1 332.492 2.273 50 0 EEAAMP Cc1ccc(NCCC[NH2+]C[C@]2(O)CCC[N@H+]3CCCC[C@@H]32)nc1 ZINC000063834580 462675936 /nfs/dbraw/zinc/67/59/36/462675936.db2.gz QMQIZIAGBIXORR-IEBWSBKVSA-N 2 1 332.492 2.161 50 0 EEAAMP COc1ccccc1C[N@H+]1CCC[C@H](CN(CC[NH+](C)C)C(C)=O)C1 ZINC000096165303 463193704 /nfs/dbraw/zinc/19/37/04/463193704.db2.gz HDDMZCYUXCKICO-SFHVURJKSA-N 2 1 347.503 2.317 50 0 EEAAMP C[NH2+]Cc1nnc(NC[C@@H]2CCC[N@H+](CCc3ccccc3)C2)o1 ZINC001772703910 1179289013 /nfs/dbraw/zinc/28/90/13/1179289013.db2.gz GMAVRQUGOPGBGO-INIZCTEOSA-N 2 1 329.448 2.156 50 0 EEAAMP C[NH2+]Cc1nnc(NC[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)o1 ZINC001772703910 1179289023 /nfs/dbraw/zinc/28/90/23/1179289023.db2.gz GMAVRQUGOPGBGO-INIZCTEOSA-N 2 1 329.448 2.156 50 0 EEAAMP C[NH+]1CCC([NH2+][C@@H]2COC[C@H]2Cc2ccnc3ccccc23)CC1 ZINC001529100376 1121313558 /nfs/dbraw/zinc/31/35/58/1121313558.db2.gz QXDYCALTWUSQLQ-OXQOHEQNSA-N 2 1 325.456 2.476 50 0 EEAAMP Cc1nc2c(c(NCC[NH+](C)C)n1)CC[N@@H+](Cc1ccsc1)CC2 ZINC000072457361 216243144 /nfs/dbraw/zinc/24/31/44/216243144.db2.gz HBEVDGBWBYUHPL-UHFFFAOYSA-N 2 1 345.516 2.421 50 0 EEAAMP Cc1[nH+]ccn1CCCC(=O)N1CCCN(c2cc[nH+]cc2C)CC1 ZINC000095353381 218287446 /nfs/dbraw/zinc/28/74/46/218287446.db2.gz VWYUVOCEDVLXQR-UHFFFAOYSA-N 2 1 341.459 2.414 50 0 EEAAMP COc1cc(C[N@@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)ccc1F ZINC000216168950 536751572 /nfs/dbraw/zinc/75/15/72/536751572.db2.gz WSDXSGIGRWQLNS-KRWDZBQOSA-N 2 1 335.467 2.294 50 0 EEAAMP COc1cc(C[N@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)ccc1F ZINC000216168950 536751577 /nfs/dbraw/zinc/75/15/77/536751577.db2.gz WSDXSGIGRWQLNS-KRWDZBQOSA-N 2 1 335.467 2.294 50 0 EEAAMP CC[N@@H+](C)C1(CNC(=O)c2ccc(C)c(OCC[NH3+])c2)CCCC1 ZINC000426490268 241296965 /nfs/dbraw/zinc/29/69/65/241296965.db2.gz VMYHVSAJCQXQKM-UHFFFAOYSA-N 2 1 333.476 2.327 50 0 EEAAMP Cc1[nH+]ccn1CCCC(=O)N(C)C[C@@H]1Cc2ccccc2C[N@@H+]1C ZINC000082086555 463512582 /nfs/dbraw/zinc/51/25/82/463512582.db2.gz STIVTTABGLVCBI-IBGZPJMESA-N 2 1 340.471 2.487 50 0 EEAAMP Cc1[nH+]ccn1CCCC(=O)N(C)C[C@@H]1Cc2ccccc2C[N@H+]1C ZINC000082086555 463512587 /nfs/dbraw/zinc/51/25/87/463512587.db2.gz STIVTTABGLVCBI-IBGZPJMESA-N 2 1 340.471 2.487 50 0 EEAAMP Cc1ccc(OCC[NH3+])c(C(=O)N2CC([N@@H+]3CCCC[C@H]3C)C2)c1 ZINC000426478137 467142442 /nfs/dbraw/zinc/14/24/42/467142442.db2.gz YWKUDVPDEFVVRZ-OAHLLOKOSA-N 2 1 331.460 2.031 50 0 EEAAMP O=C(CC[NH+]1CCOCC1)N[C@@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000014980385 778073785 /nfs/dbraw/zinc/07/37/85/778073785.db2.gz ORAJAERMPRSNAZ-QGZVFWFLSA-N 2 1 337.508 2.012 50 0 EEAAMP O=C(CC[NH+]1CCOCC1)N[C@@H]1CCC[N@H+](C2CCCCCC2)C1 ZINC000014980385 778073797 /nfs/dbraw/zinc/07/37/97/778073797.db2.gz ORAJAERMPRSNAZ-QGZVFWFLSA-N 2 1 337.508 2.012 50 0 EEAAMP Cc1[nH+]ccn1-c1ccc(C[C@@H]2CC[C@H](C[NH+]3CCCC3)O2)nn1 ZINC000952854501 796034440 /nfs/dbraw/zinc/03/44/40/796034440.db2.gz QMAXDWKZSAUVJY-DLBZAZTESA-N 2 1 327.432 2.157 50 0 EEAAMP CC(C)/C=C/C[N@H+]1CCN(C2CC[NH+](C(C)C)CC2)[C@@H](CCO)C1 ZINC000022926699 202095043 /nfs/dbraw/zinc/09/50/43/202095043.db2.gz LZMXSOALLRJLGK-XJDXJNMNSA-N 2 1 337.552 2.440 50 0 EEAAMP CCOc1cc2c(cc1C[NH+]1CCN([C@H]3CC[NH2+]C3)CC1)CCC2 ZINC000097766839 203963545 /nfs/dbraw/zinc/96/35/45/203963545.db2.gz FUOXFKHAIJYKRI-IBGZPJMESA-N 2 1 329.488 2.054 50 0 EEAAMP Cc1[nH+]ccn1CCC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000299796282 258100503 /nfs/dbraw/zinc/10/05/03/258100503.db2.gz OJRJODAYFSQJEY-GOSISDBHSA-N 2 1 326.444 2.220 50 0 EEAAMP Cc1[nH+]ccn1CCC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000299796282 258100506 /nfs/dbraw/zinc/10/05/06/258100506.db2.gz OJRJODAYFSQJEY-GOSISDBHSA-N 2 1 326.444 2.220 50 0 EEAAMP Cc1cc(N2CC[N@H+](C)[C@@]3(C2)CCC(=O)N(CC2CC2)CC3)cc[nH+]1 ZINC000095352304 463066294 /nfs/dbraw/zinc/06/62/94/463066294.db2.gz KZHNKBXUPHMNNT-FQEVSTJZSA-N 2 1 342.487 2.303 50 0 EEAAMP Cc1[nH+]cn(CC[NH2+]C2CCN(C(=O)c3cccs3)CC2)c1C ZINC000670444722 485645250 /nfs/dbraw/zinc/64/52/50/485645250.db2.gz MUXHSHBNILFCHC-UHFFFAOYSA-N 2 1 332.473 2.456 50 0 EEAAMP C[N@@H+](CCc1ccccn1)[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1O ZINC000023146104 678797505 /nfs/dbraw/zinc/79/75/05/678797505.db2.gz UAFBPHBWIIWCNG-UXHICEINSA-N 2 1 337.467 2.293 50 0 EEAAMP CC[C@H]1C=CC[N@H+]1Cc1ccccc1OCCN1CC[NH+](C)CC1 ZINC000952974048 796117264 /nfs/dbraw/zinc/11/72/64/796117264.db2.gz VZKBLBMBSBNWEU-IBGZPJMESA-N 2 1 329.488 2.463 50 0 EEAAMP OC[C@H]1CCCC[N@H+]1CCNC1CC[NH+](CCc2ccccc2)CC1 ZINC000828711034 800806168 /nfs/dbraw/zinc/80/61/68/800806168.db2.gz ZVLLXYUZFXUCJE-OAQYLSRUSA-N 2 1 345.531 2.130 50 0 EEAAMP O=C(C[NH+]1CCC(c2ccccc2)CC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000215358510 241120417 /nfs/dbraw/zinc/12/04/17/241120417.db2.gz TUBXKWISBDYDTJ-LJQANCHMSA-N 2 1 327.472 2.173 50 0 EEAAMP CN(CCc1ccccc1)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000071613834 203101363 /nfs/dbraw/zinc/10/13/63/203101363.db2.gz KCYRNCXNNWUGDB-LJQANCHMSA-N 2 1 343.515 2.494 50 0 EEAAMP CN(CCc1ccccc1)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000071613834 203101367 /nfs/dbraw/zinc/10/13/67/203101367.db2.gz KCYRNCXNNWUGDB-LJQANCHMSA-N 2 1 343.515 2.494 50 0 EEAAMP C[NH+](C)C[C@]1(O)CCC[N@@H+](Cc2ccccc2Cn2cccn2)CC1 ZINC000072134525 203166792 /nfs/dbraw/zinc/16/67/92/203166792.db2.gz HMLQUIJHLWLIQA-FQEVSTJZSA-N 2 1 342.487 2.210 50 0 EEAAMP CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2ncc[nH]2)CC1 ZINC000012316388 462849946 /nfs/dbraw/zinc/84/99/46/462849946.db2.gz OHJACFQFLCJHNE-QGZVFWFLSA-N 2 1 347.507 2.002 50 0 EEAAMP CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2ncc[nH]2)CC1 ZINC000012316388 462849951 /nfs/dbraw/zinc/84/99/51/462849951.db2.gz OHJACFQFLCJHNE-QGZVFWFLSA-N 2 1 347.507 2.002 50 0 EEAAMP O=C(C[NH+]1CCCC1)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccc(F)cc1)C2 ZINC000091476083 462882671 /nfs/dbraw/zinc/88/26/71/462882671.db2.gz AJKGOOULNCJMCZ-PKOBYXMFSA-N 2 1 345.462 2.344 50 0 EEAAMP COCC[N@H+](C)C[C@@H]1C[NH+](Cc2ccc3ccccc3c2)C[C@@H]1CO ZINC000091587305 462889887 /nfs/dbraw/zinc/88/98/87/462889887.db2.gz ICBAWGGNVMISTR-NHCUHLMSSA-N 2 1 342.483 2.458 50 0 EEAAMP COCC[N@@H+](C)C[C@@H]1C[NH+](Cc2ccc3ccccc3c2)C[C@@H]1CO ZINC000091587305 462889891 /nfs/dbraw/zinc/88/98/91/462889891.db2.gz ICBAWGGNVMISTR-NHCUHLMSSA-N 2 1 342.483 2.458 50 0 EEAAMP COCC[NH+](C)C[C@@H]1C[N@H+](Cc2ccc3ccccc3c2)C[C@@H]1CO ZINC000091587305 462889893 /nfs/dbraw/zinc/88/98/93/462889893.db2.gz ICBAWGGNVMISTR-NHCUHLMSSA-N 2 1 342.483 2.458 50 0 EEAAMP COCC[NH+](C)C[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2)C[C@@H]1CO ZINC000091587305 462889897 /nfs/dbraw/zinc/88/98/97/462889897.db2.gz ICBAWGGNVMISTR-NHCUHLMSSA-N 2 1 342.483 2.458 50 0 EEAAMP C[NH+](C)[C@@H](C(=O)N1CCC2(CC[N@H+](C)C2)CC1)c1ccc(F)cc1 ZINC000095356039 463067801 /nfs/dbraw/zinc/06/78/01/463067801.db2.gz RMTAXWQOCNLNFA-QGZVFWFLSA-N 2 1 333.451 2.373 50 0 EEAAMP C[NH+](C)[C@@H](C(=O)N1CCC2(CC[N@@H+](C)C2)CC1)c1ccc(F)cc1 ZINC000095356039 463067806 /nfs/dbraw/zinc/06/78/06/463067806.db2.gz RMTAXWQOCNLNFA-QGZVFWFLSA-N 2 1 333.451 2.373 50 0 EEAAMP Cc1ccc([C@@H](C(=O)N2CCN(c3cc[nH+]cc3)CC2)[NH+](C)C)cc1 ZINC000095378055 463071178 /nfs/dbraw/zinc/07/11/78/463071178.db2.gz MKQVPXRHGVPJFB-IBGZPJMESA-N 2 1 338.455 2.342 50 0 EEAAMP C[NH+](C)CCCn1cc[nH+]c1C1CCN(c2cc[nH+]c(N)c2)CC1 ZINC000095374366 463071346 /nfs/dbraw/zinc/07/13/46/463071346.db2.gz FFBBKLSXKYRLSA-UHFFFAOYSA-N 3 1 328.464 2.196 50 0 EEAAMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CCCc3cc(F)ccc32)C1 ZINC000108461515 463604660 /nfs/dbraw/zinc/60/46/60/463604660.db2.gz AURCVBAGMLMMFE-CRAIPNDOSA-N 2 1 333.451 2.380 50 0 EEAAMP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CCCN(C)C3(CC[NH2+]CC3)C2)c1 ZINC000252509127 464975645 /nfs/dbraw/zinc/97/56/45/464975645.db2.gz YCVKDBRRBPLTCF-KRWDZBQOSA-N 2 1 344.503 2.082 50 0 EEAAMP COCC[N@@H+]1CC[C@@H](C[NH+](C)Cc2ccc3c(c2)OC(F)(F)O3)C1 ZINC001506396826 1114595498 /nfs/dbraw/zinc/59/54/98/1114595498.db2.gz WPTUPHPIBHNRFB-AWEZNQCLSA-N 2 1 342.386 2.408 50 0 EEAAMP COCC[N@H+]1CC[C@@H](C[NH+](C)Cc2ccc3c(c2)OC(F)(F)O3)C1 ZINC001506396826 1114595501 /nfs/dbraw/zinc/59/55/01/1114595501.db2.gz WPTUPHPIBHNRFB-AWEZNQCLSA-N 2 1 342.386 2.408 50 0 EEAAMP COCC[NH+]1CC[C@@H](C[N@H+](C)Cc2ccc3c(c2)OC(F)(F)O3)C1 ZINC001506396826 1114595504 /nfs/dbraw/zinc/59/55/04/1114595504.db2.gz WPTUPHPIBHNRFB-AWEZNQCLSA-N 2 1 342.386 2.408 50 0 EEAAMP COCC[NH+]1CC[C@@H](C[N@@H+](C)Cc2ccc3c(c2)OC(F)(F)O3)C1 ZINC001506396826 1114595506 /nfs/dbraw/zinc/59/55/06/1114595506.db2.gz WPTUPHPIBHNRFB-AWEZNQCLSA-N 2 1 342.386 2.408 50 0 EEAAMP Cc1nncn1CC[N@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001506407573 1114598401 /nfs/dbraw/zinc/59/84/01/1114598401.db2.gz XFOUCBZWGDICRQ-UHFFFAOYSA-N 2 1 327.476 2.431 50 0 EEAAMP Cc1c[nH+]ccc1N1CCC[N@H+](CC(=O)N2CCCCCC2)CC1 ZINC001529115045 1121323568 /nfs/dbraw/zinc/32/35/68/1121323568.db2.gz XPDVCEXJVBNGHX-UHFFFAOYSA-N 2 1 330.476 2.305 50 0 EEAAMP Cc1c[nH+]ccc1N1CCC[N@@H+](CC(=O)N2CCCCCC2)CC1 ZINC001529115045 1121323576 /nfs/dbraw/zinc/32/35/76/1121323576.db2.gz XPDVCEXJVBNGHX-UHFFFAOYSA-N 2 1 330.476 2.305 50 0 EEAAMP [NH3+]CC[C@H]1CCC[N@H+](Cc2cccn2S(=O)(=O)c2ccccc2)C1 ZINC000067489723 215152915 /nfs/dbraw/zinc/15/29/15/215152915.db2.gz ZBWWHEOHXUHTFC-MRXNPFEDSA-N 2 1 347.484 2.286 50 0 EEAAMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cccn2S(=O)(=O)c2ccccc2)C1 ZINC000067489723 215152917 /nfs/dbraw/zinc/15/29/17/215152917.db2.gz ZBWWHEOHXUHTFC-MRXNPFEDSA-N 2 1 347.484 2.286 50 0 EEAAMP CC[N@H+]1CCC[C@@H]1CSc1nnc(C[NH3+])n1-c1ccc(F)cc1 ZINC000426697563 241328280 /nfs/dbraw/zinc/32/82/80/241328280.db2.gz PPDWZRCUXXUMDL-CQSZACIVSA-N 2 1 335.452 2.442 50 0 EEAAMP Cc1c[nH]c(CNC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000426621578 241318312 /nfs/dbraw/zinc/31/83/12/241318312.db2.gz HODYXICTJPLNLD-MRXNPFEDSA-N 2 1 327.432 2.134 50 0 EEAAMP C[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCc4sccc4C3)C2)CC1 ZINC000071775937 203113697 /nfs/dbraw/zinc/11/36/97/203113697.db2.gz TZUKEUDGIHAKJB-MRXNPFEDSA-N 2 1 347.528 2.439 50 0 EEAAMP C[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)N3CCc4sccc4C3)C2)CC1 ZINC000071775937 203113700 /nfs/dbraw/zinc/11/37/00/203113700.db2.gz TZUKEUDGIHAKJB-MRXNPFEDSA-N 2 1 347.528 2.439 50 0 EEAAMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](Cc2cc(-c3ccccn3)no2)CC1 ZINC000072128837 203165152 /nfs/dbraw/zinc/16/51/52/203165152.db2.gz FWCOGZBAHOCPKS-GOSISDBHSA-N 2 1 330.432 2.015 50 0 EEAAMP C[N@H+](CCc1ccccc1)CCN1CC2(CC[NH+](C)CC2)OC1=O ZINC000072431181 203223350 /nfs/dbraw/zinc/22/33/50/203223350.db2.gz YFQDXWUJNVFTIB-UHFFFAOYSA-N 2 1 331.460 2.078 50 0 EEAAMP C1=C(CC[NH2+][C@@H]2CCOC3(CCOCC3)C2)N2CCC[NH+]=C2S1 ZINC000101169257 204002207 /nfs/dbraw/zinc/00/22/07/204002207.db2.gz RGPMAGRTAPQGNM-CQSZACIVSA-N 2 1 337.489 2.344 50 0 EEAAMP C1=C(CC[NH2+][C@H]2CCOC3(CCOCC3)C2)N2CCC[NH+]=C2S1 ZINC000101169259 204002627 /nfs/dbraw/zinc/00/26/27/204002627.db2.gz RGPMAGRTAPQGNM-AWEZNQCLSA-N 2 1 337.489 2.344 50 0 EEAAMP CC[N@H+](Cc1cc2ccc(OC)cc2[nH]c1=O)C[C@@H]1CC[NH+](C)C1 ZINC000067789683 463051885 /nfs/dbraw/zinc/05/18/85/463051885.db2.gz LXNJAKIXUZUXJN-CQSZACIVSA-N 2 1 329.444 2.310 50 0 EEAAMP CC[NH+](Cc1cc2ccc(OC)cc2[nH]c1=O)C[C@@H]1CC[N@H+](C)C1 ZINC000067789683 463051890 /nfs/dbraw/zinc/05/18/90/463051890.db2.gz LXNJAKIXUZUXJN-CQSZACIVSA-N 2 1 329.444 2.310 50 0 EEAAMP CC[NH+](Cc1cc2ccc(OC)cc2[nH]c1=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000067789683 463051896 /nfs/dbraw/zinc/05/18/96/463051896.db2.gz LXNJAKIXUZUXJN-CQSZACIVSA-N 2 1 329.444 2.310 50 0 EEAAMP O[C@]1(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCSC1 ZINC000108464629 463605300 /nfs/dbraw/zinc/60/53/00/463605300.db2.gz YUZQIASQVBNGSD-OKYOBFRVSA-N 2 1 332.513 2.355 50 0 EEAAMP CC(C)[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)NCc3ccncc3)C2)CC1 ZINC000071682157 203102215 /nfs/dbraw/zinc/10/22/15/203102215.db2.gz SOLSRODEZDNXRC-GOSISDBHSA-N 2 1 344.503 2.283 50 0 EEAAMP Cc1cc(C)n(-c2ccccc2C[N@H+]2CCC[C@@](O)(C[NH+](C)C)C2)n1 ZINC000072152722 203173615 /nfs/dbraw/zinc/17/36/15/203173615.db2.gz FULAOTMWGZXREA-HXUWFJFHSA-N 2 1 342.487 2.378 50 0 EEAAMP Cc1cc(C)n(-c2ccccc2C[N@@H+]2CCC[C@@](O)(C[NH+](C)C)C2)n1 ZINC000072152722 203173618 /nfs/dbraw/zinc/17/36/18/203173618.db2.gz FULAOTMWGZXREA-HXUWFJFHSA-N 2 1 342.487 2.378 50 0 EEAAMP c1nc2c(c(N3CCC[N@H+](C4CCCCC4)CC3)n1)CC[NH2+]CC2 ZINC000072428442 203222481 /nfs/dbraw/zinc/22/24/81/203222481.db2.gz DNMBXBPXJLQBAE-UHFFFAOYSA-N 2 1 329.492 2.010 50 0 EEAAMP COc1nccnc1N1CCC[C@H](c2[nH+]ccn2CCC[NH+](C)C)C1 ZINC000095496959 278098073 /nfs/dbraw/zinc/09/80/73/278098073.db2.gz LMPAOFAGHRBWRX-HNNXBMFYSA-N 2 1 344.463 2.017 50 0 EEAAMP Cc1cc(NCc2cc3n(n2)CC[N@H+](C2CCCCC2)C3)nc(N)[nH+]1 ZINC000092065767 462924153 /nfs/dbraw/zinc/92/41/53/462924153.db2.gz UWAPTNKUWAACJN-UHFFFAOYSA-N 2 1 341.463 2.324 50 0 EEAAMP Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CCCN(C)C3(CC[NH2+]CC3)C2)c1 ZINC000252509128 464975781 /nfs/dbraw/zinc/97/57/81/464975781.db2.gz YCVKDBRRBPLTCF-QGZVFWFLSA-N 2 1 344.503 2.082 50 0 EEAAMP CCc1[nH+]ccn1C[C@H](C)[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC000584889855 468955953 /nfs/dbraw/zinc/95/59/53/468955953.db2.gz ISSVEZUNAHFWQM-INIZCTEOSA-N 2 1 327.476 2.483 50 0 EEAAMP COc1cccc2c1OC[C@@H]([NH+]1CCN(c3cc[nH+]cc3)CC1)C2 ZINC000106584097 776500222 /nfs/dbraw/zinc/50/02/22/776500222.db2.gz GGNSEUVIKFLBIB-KRWDZBQOSA-N 2 1 325.412 2.216 50 0 EEAAMP C[N@H+]1CCCCC[C@H]1C(=O)NC1CC[NH+](C2CCSCC2)CC1 ZINC000952988949 796157388 /nfs/dbraw/zinc/15/73/88/796157388.db2.gz ARXANYXVLFCOSF-KRWDZBQOSA-N 2 1 339.549 2.337 50 0 EEAAMP Cc1cc(C[C@@H]2C[N@H+](C3CCC4(CC[NH2+]CC4)CC3)C[C@@H]2O)on1 ZINC001529109986 1121318649 /nfs/dbraw/zinc/31/86/49/1121318649.db2.gz IJJJKXDCBXEBKB-QAPCUYQASA-N 2 1 333.476 2.131 50 0 EEAAMP CC[N@H+](Cc1cc2ccc(OC)cc2[nH]c1=O)C[C@H]1CC[NH+](C)C1 ZINC000067789685 463052161 /nfs/dbraw/zinc/05/21/61/463052161.db2.gz LXNJAKIXUZUXJN-AWEZNQCLSA-N 2 1 329.444 2.310 50 0 EEAAMP CC[NH+](Cc1cc2ccc(OC)cc2[nH]c1=O)C[C@H]1CC[N@H+](C)C1 ZINC000067789685 463052168 /nfs/dbraw/zinc/05/21/68/463052168.db2.gz LXNJAKIXUZUXJN-AWEZNQCLSA-N 2 1 329.444 2.310 50 0 EEAAMP CC[NH+](Cc1cc2ccc(OC)cc2[nH]c1=O)C[C@H]1CC[N@@H+](C)C1 ZINC000067789685 463052172 /nfs/dbraw/zinc/05/21/72/463052172.db2.gz LXNJAKIXUZUXJN-AWEZNQCLSA-N 2 1 329.444 2.310 50 0 EEAAMP CCOc1ccc2[nH]c(=O)c(C[N@@H+](C)C[C@@H]3CC[NH+](C)C3)cc2c1 ZINC000067856871 463058849 /nfs/dbraw/zinc/05/88/49/463058849.db2.gz ZNQOMJHTNZMCSG-CQSZACIVSA-N 2 1 329.444 2.310 50 0 EEAAMP CCOc1ccc2[nH]c(=O)c(C[NH+](C)C[C@@H]3CC[N@H+](C)C3)cc2c1 ZINC000067856871 463058851 /nfs/dbraw/zinc/05/88/51/463058851.db2.gz ZNQOMJHTNZMCSG-CQSZACIVSA-N 2 1 329.444 2.310 50 0 EEAAMP CCOc1ccc2[nH]c(=O)c(C[NH+](C)C[C@@H]3CC[N@@H+](C)C3)cc2c1 ZINC000067856871 463058854 /nfs/dbraw/zinc/05/88/54/463058854.db2.gz ZNQOMJHTNZMCSG-CQSZACIVSA-N 2 1 329.444 2.310 50 0 EEAAMP CCc1[nH+]ccn1CCNC(=O)[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000095499114 463095116 /nfs/dbraw/zinc/09/51/16/463095116.db2.gz MWEVZTGDSUEBAC-HNNXBMFYSA-N 2 1 330.432 2.067 50 0 EEAAMP CCc1[nH+]ccn1CCNC(=O)[C@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000095499114 463095124 /nfs/dbraw/zinc/09/51/24/463095124.db2.gz MWEVZTGDSUEBAC-HNNXBMFYSA-N 2 1 330.432 2.067 50 0 EEAAMP C[C@@H]1C[C@H](Nc2cccc(C[NH+]3CCC[C@H]3C(N)=O)c2)C[N@H+]1C1CC1 ZINC000108366530 463601390 /nfs/dbraw/zinc/60/13/90/463601390.db2.gz GWWPRTAQTSFSQU-LJHODMEESA-N 2 1 342.487 2.173 50 0 EEAAMP C[C@@H]1C[C@H](Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)C[NH+]1C1CC1 ZINC000108366530 463601397 /nfs/dbraw/zinc/60/13/97/463601397.db2.gz GWWPRTAQTSFSQU-LJHODMEESA-N 2 1 342.487 2.173 50 0 EEAAMP C[C@@H]1C[C@H](Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)C[NH+]1C1CC1 ZINC000108366530 463601402 /nfs/dbraw/zinc/60/14/02/463601402.db2.gz GWWPRTAQTSFSQU-LJHODMEESA-N 2 1 342.487 2.173 50 0 EEAAMP CC[N@@H+](C)CC(=O)N1CC[C@@]2(C1)CCC[NH+](CCc1ccccc1)C2 ZINC000426471340 467142484 /nfs/dbraw/zinc/14/24/84/467142484.db2.gz JVJPREPNXGTIQS-NRFANRHFSA-N 2 1 343.515 2.495 50 0 EEAAMP CC[NH+](C)CC(=O)N1CC[C@@]2(C1)CCC[N@H+](CCc1ccccc1)C2 ZINC000426471340 467142487 /nfs/dbraw/zinc/14/24/87/467142487.db2.gz JVJPREPNXGTIQS-NRFANRHFSA-N 2 1 343.515 2.495 50 0 EEAAMP CC[NH+](C)CC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCc1ccccc1)C2 ZINC000426471340 467142490 /nfs/dbraw/zinc/14/24/90/467142490.db2.gz JVJPREPNXGTIQS-NRFANRHFSA-N 2 1 343.515 2.495 50 0 EEAAMP Cn1cc([C@@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)[C@H]2C[C@@H](O)C2)cn1 ZINC000223865887 490700227 /nfs/dbraw/zinc/70/02/27/490700227.db2.gz QIWKZJIJEPPETA-JVPBZIDWSA-N 2 1 332.492 2.229 50 0 EEAAMP C[NH+]1CCC(N2CC[N@@H+](CCCC3CCCC3)C[C@@H]2CCO)CC1 ZINC000020537912 683571090 /nfs/dbraw/zinc/57/10/90/683571090.db2.gz AKLCISJVBANJGR-FQEVSTJZSA-N 2 1 337.552 2.420 50 0 EEAAMP O=C(CC[NH+]1CCOCC1)N[C@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000014980388 778073598 /nfs/dbraw/zinc/07/35/98/778073598.db2.gz ORAJAERMPRSNAZ-KRWDZBQOSA-N 2 1 337.508 2.012 50 0 EEAAMP O=C(CC[NH+]1CCOCC1)N[C@H]1CCC[N@H+](C2CCCCCC2)C1 ZINC000014980388 778073608 /nfs/dbraw/zinc/07/36/08/778073608.db2.gz ORAJAERMPRSNAZ-KRWDZBQOSA-N 2 1 337.508 2.012 50 0 EEAAMP C[N@@H+]1CCCn2nc(C[NH+]3CCC(CCn4cccn4)CC3)cc2C1 ZINC000072168753 203181338 /nfs/dbraw/zinc/18/13/38/203181338.db2.gz IPWLPHWPAVUITL-UHFFFAOYSA-N 2 1 342.491 2.217 50 0 EEAAMP C[N@H+]1CCCn2nc(C[NH+]3CCC(CCn4cccn4)CC3)cc2C1 ZINC000072168753 203181340 /nfs/dbraw/zinc/18/13/40/203181340.db2.gz IPWLPHWPAVUITL-UHFFFAOYSA-N 2 1 342.491 2.217 50 0 EEAAMP Cc1c[nH+]ccc1NCCNC(=O)[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000095371450 302388034 /nfs/dbraw/zinc/38/80/34/302388034.db2.gz YNNIVXSIPCJQMX-QGZVFWFLSA-N 2 1 330.407 2.360 50 0 EEAAMP CC[N@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)CC[NH3+])CC2)C1 ZINC000091526775 462886865 /nfs/dbraw/zinc/88/68/65/462886865.db2.gz VYRZUYOHXKPEPC-SFHVURJKSA-N 2 1 329.488 2.453 50 0 EEAAMP Cc1cc(N2CCC(c3[nH+]ccn3Cc3ccccn3)CC2)nc(N)[nH+]1 ZINC000091998127 462917577 /nfs/dbraw/zinc/91/75/77/462917577.db2.gz BHYKEFUVUWZVQP-UHFFFAOYSA-N 2 1 349.442 2.391 50 0 EEAAMP Cc1ccccc1[C@H](C(=O)N1CCN(c2cc[nH+]cc2)CC1)[NH+](C)C ZINC000095392903 463074657 /nfs/dbraw/zinc/07/46/57/463074657.db2.gz UVNZEYQHCVJFAZ-LJQANCHMSA-N 2 1 338.455 2.342 50 0 EEAAMP COc1ccc(C[N@H+]2CCC[C@H](CNC(=O)C3([NH3+])CCC3)C2)c(C)c1 ZINC000067983216 463076719 /nfs/dbraw/zinc/07/67/19/463076719.db2.gz JLVSRAIZUHJGGQ-MRXNPFEDSA-N 2 1 345.487 2.213 50 0 EEAAMP CCC[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)C1 ZINC000584893090 468957300 /nfs/dbraw/zinc/95/73/00/468957300.db2.gz VQUNWPJCJMVIFE-IBGZPJMESA-N 2 1 344.503 2.307 50 0 EEAAMP CCC[N@H+]1CC[C@H](NC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)C1 ZINC000584893090 468957304 /nfs/dbraw/zinc/95/73/04/468957304.db2.gz VQUNWPJCJMVIFE-IBGZPJMESA-N 2 1 344.503 2.307 50 0 EEAAMP CC(C)C[NH+]1CCC(C[N@H+](C)Cc2nc(-c3cnccn3)no2)CC1 ZINC000012575424 788319056 /nfs/dbraw/zinc/31/90/56/788319056.db2.gz DUYGCGYAIYDZQO-UHFFFAOYSA-N 2 1 344.463 2.326 50 0 EEAAMP CC(C)C[NH+]1CCC(C[N@@H+](C)Cc2nc(-c3cnccn3)no2)CC1 ZINC000012575424 788319065 /nfs/dbraw/zinc/31/90/65/788319065.db2.gz DUYGCGYAIYDZQO-UHFFFAOYSA-N 2 1 344.463 2.326 50 0 EEAAMP Cc1ccccc1C[NH+]1CCN(C(=O)NC[C@]2(C)CC[N@@H+](C)C2)CC1 ZINC000426677957 241325865 /nfs/dbraw/zinc/32/58/65/241325865.db2.gz HYSODEXFMZFNCW-FQEVSTJZSA-N 2 1 344.503 2.164 50 0 EEAAMP Cc1ccccc1C[NH+]1CCN(C(=O)NC[C@]2(C)CC[N@H+](C)C2)CC1 ZINC000426677957 241325871 /nfs/dbraw/zinc/32/58/71/241325871.db2.gz HYSODEXFMZFNCW-FQEVSTJZSA-N 2 1 344.503 2.164 50 0 EEAAMP Nc1cc[nH+]cc1-c1cccc(C(=O)N2CCC[N@H+]3CCC[C@H]3C2)c1 ZINC000426409243 241279948 /nfs/dbraw/zinc/27/99/48/241279948.db2.gz GEIOBJZUWXWEES-KRWDZBQOSA-N 2 1 336.439 2.471 50 0 EEAAMP CC[N@H+]1CCC[C@@H]1CSc1nnc(C[NH3+])n1-c1cccc(OC)c1 ZINC000426429075 241285217 /nfs/dbraw/zinc/28/52/17/241285217.db2.gz ZJQGMEIHYMPWHO-CQSZACIVSA-N 2 1 347.488 2.311 50 0 EEAAMP [NH3+]CCCC(=O)N1C[C@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072135495 203168159 /nfs/dbraw/zinc/16/81/59/203168159.db2.gz LMJQJKNOLCSGNW-BHIYHBOVSA-N 2 1 349.425 2.092 50 0 EEAAMP c1ccc(SCC[NH+]2CCN([C@H]3C[NH+]4CCC3CC4)CC2)cc1 ZINC000072164336 203177915 /nfs/dbraw/zinc/17/79/15/203177915.db2.gz CEDDOFNMZZAWQY-IBGZPJMESA-N 2 1 331.529 2.491 50 0 EEAAMP CN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000012595997 462860217 /nfs/dbraw/zinc/86/02/17/462860217.db2.gz DNYUGMXOMMZCPM-GOSISDBHSA-N 2 1 329.488 2.451 50 0 EEAAMP CN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000012595997 462860222 /nfs/dbraw/zinc/86/02/22/462860222.db2.gz DNYUGMXOMMZCPM-GOSISDBHSA-N 2 1 329.488 2.451 50 0 EEAAMP Cc1[nH+]ccn1Cc1nnc(C2CCN(c3cc[nH+]cc3)CC2)n1C ZINC000091536021 462886055 /nfs/dbraw/zinc/88/60/55/462886055.db2.gz ONDOPMXOHHGNPX-UHFFFAOYSA-N 2 1 337.431 2.147 50 0 EEAAMP C[NH+](C)[C@H](C(=O)N1CCN(c2cc[nH+]cc2)CC1)c1cccc(F)c1 ZINC000095377372 463071240 /nfs/dbraw/zinc/07/12/40/463071240.db2.gz JFWKJJLIBOCWFK-SFHVURJKSA-N 2 1 342.418 2.172 50 0 EEAAMP O=C1CC[C@]2(CCC[N@H+](C3CC[NH2+]CC3)C2)CN1Cc1ccncc1 ZINC000072469719 463511468 /nfs/dbraw/zinc/51/14/68/463511468.db2.gz FCIDVOJHZRKUCM-FQEVSTJZSA-N 2 1 342.487 2.038 50 0 EEAAMP C[C@@H]1Cc2ccccc2N1C(=O)C[N@H+](C)CCCc1[nH+]ccn1C ZINC000244858555 464463330 /nfs/dbraw/zinc/46/33/30/464463330.db2.gz VNGKXXSYSUHMDR-OAHLLOKOSA-N 2 1 326.444 2.262 50 0 EEAAMP C[C@@H]1Cc2ccccc2N1C(=O)C[N@@H+](C)CCCc1[nH+]ccn1C ZINC000244858555 464463333 /nfs/dbraw/zinc/46/33/33/464463333.db2.gz VNGKXXSYSUHMDR-OAHLLOKOSA-N 2 1 326.444 2.262 50 0 EEAAMP OC[C@@H]1C[N@H+](Cc2ccoc2)CCC12CC[NH+](Cc1ncc[nH]1)CC2 ZINC000097522464 219032422 /nfs/dbraw/zinc/03/24/22/219032422.db2.gz TWNSKSVAYMKDPE-KRWDZBQOSA-N 2 1 344.459 2.099 50 0 EEAAMP OC[C@@H]1C[N@@H+](Cc2ccoc2)CCC12CC[NH+](Cc1ncc[nH]1)CC2 ZINC000097522464 219032423 /nfs/dbraw/zinc/03/24/23/219032423.db2.gz TWNSKSVAYMKDPE-KRWDZBQOSA-N 2 1 344.459 2.099 50 0 EEAAMP Cc1cccc([C@H](C(=O)NCCCOC2CC[NH+](C)CC2)[NH+](C)C)c1 ZINC000095364237 463069680 /nfs/dbraw/zinc/06/96/80/463069680.db2.gz CPZGPYNMJZTEPA-LJQANCHMSA-N 2 1 347.503 2.215 50 0 EEAAMP Cn1c(C[NH+]2CCC(c3ccccc3)CC2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000220284957 464115972 /nfs/dbraw/zinc/11/59/72/464115972.db2.gz ILPWVIMTMXJKJL-CALCHBBNSA-N 2 1 325.460 2.399 50 0 EEAAMP CN(C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1)C(C1CC1)C1CC1 ZINC000015075374 1226511986 /nfs/dbraw/zinc/51/19/86/1226511986.db2.gz LVJJMNWYBWWTAY-KRWDZBQOSA-N 2 1 333.520 2.440 50 0 EEAAMP CN(C(=O)[C@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1)C(C1CC1)C1CC1 ZINC000015075374 1226511994 /nfs/dbraw/zinc/51/19/94/1226511994.db2.gz LVJJMNWYBWWTAY-KRWDZBQOSA-N 2 1 333.520 2.440 50 0 EEAAMP C[C@@H](C[N@@H+]1CCC(=O)N(CC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000299755875 258074417 /nfs/dbraw/zinc/07/44/17/258074417.db2.gz DUGGLJPGBBGISZ-SFHVURJKSA-N 2 1 329.488 2.420 50 0 EEAAMP C[NH+]1CCN(c2c3ccccc3oc(=O)c2C[NH+]2CCCC2)CC1 ZINC000000272748 273899290 /nfs/dbraw/zinc/89/92/90/273899290.db2.gz IMARFWWELBVBMB-UHFFFAOYSA-N 2 1 327.428 2.141 50 0 EEAAMP Cc1[nH+]ccn1CCC(=O)N1CCCN(c2cc[nH+]cc2C)CC1 ZINC000082092899 463513379 /nfs/dbraw/zinc/51/33/79/463513379.db2.gz UJUGBLCOEVTWEN-UHFFFAOYSA-N 2 1 327.432 2.024 50 0 EEAAMP Cc1[nH+]cn(CCNC(=O)N(CC[NH+](C)C)Cc2ccsc2)c1C ZINC000670461856 485653307 /nfs/dbraw/zinc/65/33/07/485653307.db2.gz WBABKZUATIMWFX-UHFFFAOYSA-N 2 1 349.504 2.335 50 0 EEAAMP Cc1ncc2c(c1-c1noc(C[C@H]3CCCC[N@@H+]3C)n1)CC[NH2+]C2 ZINC000020233772 1229491169 /nfs/dbraw/zinc/49/11/69/1229491169.db2.gz OPEDJWAHJCOOJE-CQSZACIVSA-N 2 1 327.432 2.113 50 0 EEAAMP C[C@H](C[NH+]1CCCCC1)C(=O)Nc1cccc(NC(=O)C[NH+](C)C)c1 ZINC000952862907 796042185 /nfs/dbraw/zinc/04/21/85/796042185.db2.gz RQUYJESOWCROMY-OAHLLOKOSA-N 2 1 346.475 2.247 50 0 EEAAMP c1ccc(C[NH+]2CCC3(CC2)C[N@H+]([C@H]2CCSC2)CCO3)nc1 ZINC000820430468 798579853 /nfs/dbraw/zinc/57/98/53/798579853.db2.gz BOOWLVAOFBOWPI-KRWDZBQOSA-N 2 1 333.501 2.254 50 0 EEAAMP O=C(c1cccs1)N1CCC([N@H+]2CCC3(C2)CC[NH2+]CC3)CC1 ZINC000067743805 215202241 /nfs/dbraw/zinc/20/22/41/215202241.db2.gz CKCZZALAJIGXQQ-UHFFFAOYSA-N 2 1 333.501 2.428 50 0 EEAAMP CCN(Cc1ccc(OC)cc1)C(=O)[C@H]1CC2(C[N@H+]1C)CC[NH2+]CC2 ZINC000072427966 216218556 /nfs/dbraw/zinc/21/85/56/216218556.db2.gz SBPUGODDJRPSAB-GOSISDBHSA-N 2 1 345.487 2.118 50 0 EEAAMP Cn1c(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)C2)cc2cc(F)ccc21 ZINC000215387847 241123174 /nfs/dbraw/zinc/12/31/74/241123174.db2.gz NFNFVRCUIYELDA-QGZVFWFLSA-N 2 1 330.451 2.139 50 0 EEAAMP Cn1c(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)C2)cc2cc(F)ccc21 ZINC000215387847 241123176 /nfs/dbraw/zinc/12/31/76/241123176.db2.gz NFNFVRCUIYELDA-QGZVFWFLSA-N 2 1 330.451 2.139 50 0 EEAAMP CC[N@H+]1CCC[C@@H]1CNC(=O)C1(Oc2ccc(C)cc2)CC[NH2+]CC1 ZINC000065407872 279308763 /nfs/dbraw/zinc/30/87/63/279308763.db2.gz SAWJXRPYUOAIOT-QGZVFWFLSA-N 2 1 345.487 2.097 50 0 EEAAMP CSCCC[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)NC3CC3)C2)CC1 ZINC000012704796 462863702 /nfs/dbraw/zinc/86/37/02/462863702.db2.gz DOBSPISSVHXDIP-OAHLLOKOSA-N 2 1 339.549 2.195 50 0 EEAAMP Cc1[nH+]ccn1CC[C@@H]1CCCC[N@H+]1Cc1cnc(N(C)C)nc1 ZINC000077322445 462968151 /nfs/dbraw/zinc/96/81/51/462968151.db2.gz XEYHEDAXWROQOI-KRWDZBQOSA-N 2 1 328.464 2.492 50 0 EEAAMP Cc1[nH+]ccn1CC[C@@H]1CCCC[N@@H+]1Cc1cnc(N(C)C)nc1 ZINC000077322445 462968157 /nfs/dbraw/zinc/96/81/57/462968157.db2.gz XEYHEDAXWROQOI-KRWDZBQOSA-N 2 1 328.464 2.492 50 0 EEAAMP C[NH+](C)CCOc1ccccc1C(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1C ZINC000106779207 463534950 /nfs/dbraw/zinc/53/49/50/463534950.db2.gz HVUPOJOCNCOXOH-QZTJIDSGSA-N 2 1 345.487 2.326 50 0 EEAAMP CCc1c[nH+]c(N)nc1NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001772704682 1179288941 /nfs/dbraw/zinc/28/89/41/1179288941.db2.gz DNIBTEDTMGRGMI-QGZVFWFLSA-N 2 1 341.459 2.324 50 0 EEAAMP CCc1c[nH+]c(N)nc1NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001772704682 1179288948 /nfs/dbraw/zinc/28/89/48/1179288948.db2.gz DNIBTEDTMGRGMI-QGZVFWFLSA-N 2 1 341.459 2.324 50 0 EEAAMP Cc1nc2sccc2c(N2CC[N@H+](C)C3(CC[NH+](C)CC3)C2)n1 ZINC001772711242 1179302543 /nfs/dbraw/zinc/30/25/43/1179302543.db2.gz RVRUELWUUOMANU-UHFFFAOYSA-N 2 1 331.489 2.216 50 0 EEAAMP Cc1nc2sccc2c(N2CC[N@@H+](C)C3(CC[NH+](C)CC3)C2)n1 ZINC001772711242 1179302550 /nfs/dbraw/zinc/30/25/50/1179302550.db2.gz RVRUELWUUOMANU-UHFFFAOYSA-N 2 1 331.489 2.216 50 0 EEAAMP CN(C)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000015064112 1226503101 /nfs/dbraw/zinc/50/31/01/1226503101.db2.gz VVEWYOXMUVIVSP-IBGZPJMESA-N 2 1 343.515 2.494 50 0 EEAAMP CN(C)C(=O)[C@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000015064112 1226503107 /nfs/dbraw/zinc/50/31/07/1226503107.db2.gz VVEWYOXMUVIVSP-IBGZPJMESA-N 2 1 343.515 2.494 50 0 EEAAMP Cc1cc(C)cc(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](CCO)C2)c1 ZINC000020993485 1229648394 /nfs/dbraw/zinc/64/83/94/1229648394.db2.gz REHCZGZBVRNTAA-NRFANRHFSA-N 2 1 345.531 2.266 50 0 EEAAMP COc1ccc(C[NH2+]CC[C@@]2(O)C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1OC ZINC000004539318 210216613 /nfs/dbraw/zinc/21/66/13/210216613.db2.gz XHIDEXZXYXIKAG-SPYBWZPUSA-N 2 1 336.476 2.275 50 0 EEAAMP Cc1ccccc1C[N@H+]1CC[C@@H](CNC(=O)CC2=CC[NH2+]CC2)C1 ZINC000067673077 215177478 /nfs/dbraw/zinc/17/74/78/215177478.db2.gz DXMMOAXDIRDZFT-SFHVURJKSA-N 2 1 327.472 2.243 50 0 EEAAMP CCCSc1ncc(C[N@H+]2CCC[C@@](O)(C[NH+](C)C)CC2)cn1 ZINC000072151088 216039752 /nfs/dbraw/zinc/03/97/52/216039752.db2.gz GHVUHWGHLOLMRU-KRWDZBQOSA-N 2 1 338.521 2.257 50 0 EEAAMP CCC[N@H+]1CC2(C[C@@H]1C(=O)N(C)Cc1cccnc1)CC[NH+](C)CC2 ZINC000072407994 216199235 /nfs/dbraw/zinc/19/92/35/216199235.db2.gz XWYPOLFBSRSGGA-GOSISDBHSA-N 2 1 344.503 2.236 50 0 EEAAMP C[N@H+]1CC2(C[C@@H]1C(=O)NC(C)(C)Cc1ccc(F)cc1)CC[NH2+]CC2 ZINC000072469398 216249174 /nfs/dbraw/zinc/24/91/74/216249174.db2.gz FPHSGANDHCWIJZ-QGZVFWFLSA-N 2 1 347.478 2.337 50 0 EEAAMP COc1ccccc1-c1ncc(C[NH2+]C[C@@]2(O)CCC[NH2+]C2)s1 ZINC000072481388 216262125 /nfs/dbraw/zinc/26/21/25/216262125.db2.gz IUUWWQNDHMVJQQ-QGZVFWFLSA-N 2 1 333.457 2.023 50 0 EEAAMP Cc1[nH+]ccn1CCN(C)C(=O)c1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC000095367566 218300574 /nfs/dbraw/zinc/30/05/74/218300574.db2.gz NCDPVIGIAWFBAJ-GOSISDBHSA-N 2 1 326.444 2.431 50 0 EEAAMP c1cn(CCOc2ccc(C[N@@H+]3[C@@H]4CC[C@H]3C[NH2+]CC4)cc2)cn1 ZINC000065382325 462761408 /nfs/dbraw/zinc/76/14/08/462761408.db2.gz JGRVUYUNAGJEGF-MSOLQXFVSA-N 2 1 326.444 2.288 50 0 EEAAMP c1cn(CCOc2ccc(C[N@H+]3[C@@H]4CC[C@H]3C[NH2+]CC4)cc2)cn1 ZINC000065382325 462761412 /nfs/dbraw/zinc/76/14/12/462761412.db2.gz JGRVUYUNAGJEGF-MSOLQXFVSA-N 2 1 326.444 2.288 50 0 EEAAMP O=C1CC[N@@H+](Cc2ccc(F)cc2)CCN1CC[NH+]1CCCCC1 ZINC000011972570 462840428 /nfs/dbraw/zinc/84/04/28/462840428.db2.gz DYMYHLVTGHSEBH-UHFFFAOYSA-N 2 1 333.451 2.346 50 0 EEAAMP CCC[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000661955082 471938340 /nfs/dbraw/zinc/93/83/40/471938340.db2.gz BSVTXIGPOATINQ-LJQANCHMSA-N 2 1 344.503 2.041 50 0 EEAAMP CCC[N@H+]1CC[C@@H](NC(=O)N2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000661955082 471938345 /nfs/dbraw/zinc/93/83/45/471938345.db2.gz BSVTXIGPOATINQ-LJQANCHMSA-N 2 1 344.503 2.041 50 0 EEAAMP Cc1ccc(NC(=O)C[NH+](C)C)c(NC(=O)c2cccc(C[NH3+])c2)c1 ZINC000952965032 796085014 /nfs/dbraw/zinc/08/50/14/796085014.db2.gz PRDZEVBJPRGHEK-UHFFFAOYSA-N 2 1 340.427 2.206 50 0 EEAAMP C[NH+](C)[C@@H](C(=O)N1CCN(c2cc[nH+]cc2)CC1)c1cccc(F)c1 ZINC000095377373 218310315 /nfs/dbraw/zinc/31/03/15/218310315.db2.gz JFWKJJLIBOCWFK-GOSISDBHSA-N 2 1 342.418 2.172 50 0 EEAAMP COCCOc1cccc(C[NH2+]C[C@]2(O)CCC[N@@H+]3CCCC[C@@H]32)c1 ZINC000063869151 462680208 /nfs/dbraw/zinc/68/02/08/462680208.db2.gz XQIFOLRNHPGDFR-WOJBJXKFSA-N 2 1 348.487 2.181 50 0 EEAAMP COCCOc1cccc(C[NH2+]C[C@]2(O)CCC[N@H+]3CCCC[C@@H]32)c1 ZINC000063869151 462680211 /nfs/dbraw/zinc/68/02/11/462680211.db2.gz XQIFOLRNHPGDFR-WOJBJXKFSA-N 2 1 348.487 2.181 50 0 EEAAMP CN(Cc1ccccc1C[NH+](C)C)c1cc([C@H]2CCOC2)[nH+]c(N)n1 ZINC000426534129 467143480 /nfs/dbraw/zinc/14/34/80/467143480.db2.gz XCBUBDCQZKZNBI-INIZCTEOSA-N 2 1 341.459 2.261 50 0 EEAAMP CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C[NH3+])C1 ZINC000601012350 468718876 /nfs/dbraw/zinc/71/88/76/468718876.db2.gz BARXDJJIPJZAFU-QFBILLFUSA-N 2 1 331.460 2.314 50 0 EEAAMP CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3ccccc3)C[C@H]2CCO)CC1 ZINC000104555467 219394165 /nfs/dbraw/zinc/39/41/65/219394165.db2.gz AEGWBKPDYAPWFE-OAQYLSRUSA-N 2 1 345.531 2.428 50 0 EEAAMP C[C@@H]1C[NH+](Cc2ccc(C(=O)N[C@@H]3CCCC[C@H]3[NH3+])cc2)C[C@@H](C)O1 ZINC000128485169 462643669 /nfs/dbraw/zinc/64/36/69/462643669.db2.gz GBIAXVQKBUDJHT-OHDICMOHSA-N 2 1 345.487 2.296 50 0 EEAAMP Cc1cc(C)n(CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c(=O)n1 ZINC000065375675 462760248 /nfs/dbraw/zinc/76/02/48/462760248.db2.gz JPYGPRYVRUWFJX-UHFFFAOYSA-N 2 1 340.471 2.114 50 0 EEAAMP CN(CCc1ccccc1)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000071613832 463418299 /nfs/dbraw/zinc/41/82/99/463418299.db2.gz KCYRNCXNNWUGDB-IBGZPJMESA-N 2 1 343.515 2.494 50 0 EEAAMP CN(CCc1ccccc1)C(=O)[C@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000071613832 463418304 /nfs/dbraw/zinc/41/83/04/463418304.db2.gz KCYRNCXNNWUGDB-IBGZPJMESA-N 2 1 343.515 2.494 50 0 EEAAMP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[NH+]1CCCCC1 ZINC000025404911 463123150 /nfs/dbraw/zinc/12/31/50/463123150.db2.gz KYLLZYHLEXRVCD-QGZVFWFLSA-N 2 1 345.487 2.009 50 0 EEAAMP CC(C)[C@@H]1CN(C(=O)C2([NH3+])CC2)CCC[N@H+]1Cc1ccc(F)cc1 ZINC000071422342 463416081 /nfs/dbraw/zinc/41/60/81/463416081.db2.gz SNLIONVUSKYQKZ-KRWDZBQOSA-N 2 1 333.451 2.376 50 0 EEAAMP COCC[N@H+]1CC[C@@H](CNC(=O)CC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000670452060 485647532 /nfs/dbraw/zinc/64/75/32/485647532.db2.gz MJJDUYIECIUGAK-HNNXBMFYSA-N 2 1 339.524 2.018 50 0 EEAAMP CN(C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000426473563 536024979 /nfs/dbraw/zinc/02/49/79/536024979.db2.gz LHUFOGASILKYAN-IBGZPJMESA-N 2 1 344.503 2.244 50 0 EEAAMP C[NH+]1CCN(C(=O)C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000004725556 210261927 /nfs/dbraw/zinc/26/19/27/210261927.db2.gz CZAZVTAQKNLAHZ-UHFFFAOYSA-N 2 1 329.488 2.105 50 0 EEAAMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N[C@@H]3CCCC[C@H]3[NH3+])cc2)C[C@H](C)O1 ZINC000128484690 462643211 /nfs/dbraw/zinc/64/32/11/462643211.db2.gz GBIAXVQKBUDJHT-WTLGNFPFSA-N 2 1 345.487 2.296 50 0 EEAAMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)N[C@@H]3CCCC[C@H]3[NH3+])cc2)C[C@H](C)O1 ZINC000128484690 462643217 /nfs/dbraw/zinc/64/32/17/462643217.db2.gz GBIAXVQKBUDJHT-WTLGNFPFSA-N 2 1 345.487 2.296 50 0 EEAAMP C[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)N3Cc4ccccc4C3)C2)CC1 ZINC000071721446 463419325 /nfs/dbraw/zinc/41/93/25/463419325.db2.gz RGIIZVJFIWKSIP-SFHVURJKSA-N 2 1 327.472 2.335 50 0 EEAAMP C[NH+]1CCC([N@H+]2CCC[C@H](C(=O)N3Cc4ccccc4C3)C2)CC1 ZINC000071721446 463419330 /nfs/dbraw/zinc/41/93/30/463419330.db2.gz RGIIZVJFIWKSIP-SFHVURJKSA-N 2 1 327.472 2.335 50 0 EEAAMP C[NH+](C)[C@@H]1CCC[N@H+](CCN2CCN(c3ccccc3)CC2)CC1 ZINC000252490567 464966634 /nfs/dbraw/zinc/96/66/34/464966634.db2.gz KWYUQUAHIPADNN-LJQANCHMSA-N 2 1 330.520 2.225 50 0 EEAAMP C[NH+](C)[C@@H]1CCC[N@@H+](CCN2CCN(c3ccccc3)CC2)CC1 ZINC000252490567 464966640 /nfs/dbraw/zinc/96/66/40/464966640.db2.gz KWYUQUAHIPADNN-LJQANCHMSA-N 2 1 330.520 2.225 50 0 EEAAMP CC(C)Cc1ccc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](O)C2)cc1 ZINC000023372826 681388133 /nfs/dbraw/zinc/38/81/33/681388133.db2.gz HWJJZYHOMJNOMP-NHCUHLMSSA-N 2 1 345.531 2.068 50 0 EEAAMP CC(C)Cc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](O)C2)cc1 ZINC000023372826 681388138 /nfs/dbraw/zinc/38/81/38/681388138.db2.gz HWJJZYHOMJNOMP-NHCUHLMSSA-N 2 1 345.531 2.068 50 0 EEAAMP Cc1ccccc1C[NH+]1CCN(C(=O)NCC[C@H]2CCC[N@H+]2C)CC1 ZINC000426465413 241290552 /nfs/dbraw/zinc/29/05/52/241290552.db2.gz FBMJECVNIZESJP-LJQANCHMSA-N 2 1 344.503 2.307 50 0 EEAAMP Cc1ccccc1C[NH+]1CCN(C(=O)NCC[C@H]2CCC[N@@H+]2C)CC1 ZINC000426465413 241290560 /nfs/dbraw/zinc/29/05/60/241290560.db2.gz FBMJECVNIZESJP-LJQANCHMSA-N 2 1 344.503 2.307 50 0 EEAAMP COc1ccc(CNC(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000011844536 211255438 /nfs/dbraw/zinc/25/54/38/211255438.db2.gz VPNWNTHQHWLTBO-QGZVFWFLSA-N 2 1 345.487 2.118 50 0 EEAAMP COc1ccc(CNC(=O)[C@@H]2CCC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000011844536 211255443 /nfs/dbraw/zinc/25/54/43/211255443.db2.gz VPNWNTHQHWLTBO-QGZVFWFLSA-N 2 1 345.487 2.118 50 0 EEAAMP Cc1cccc([C@@H](C(=O)NCCCOC2CC[NH+](C)CC2)[NH+](C)C)c1 ZINC000095364236 218296653 /nfs/dbraw/zinc/29/66/53/218296653.db2.gz CPZGPYNMJZTEPA-IBGZPJMESA-N 2 1 347.503 2.215 50 0 EEAAMP C[NH+](C)CC(C)(C)C[NH+]1CCC2(CC1)Nc1ccccc1NC2=O ZINC000082166819 463520928 /nfs/dbraw/zinc/52/09/28/463520928.db2.gz NDNSEFUVBINMDC-UHFFFAOYSA-N 2 1 330.476 2.473 50 0 EEAAMP Cc1nnc(C[N@@H+]2CCC3(CC[NH+](C4CCCC4)CC3)[C@@H](CO)C2)o1 ZINC000219637513 785863357 /nfs/dbraw/zinc/86/33/57/785863357.db2.gz HEEULCODYDDQCQ-MRXNPFEDSA-N 2 1 348.491 2.217 50 0 EEAAMP Cc1nnc(C[N@H+]2CCC3(CC[NH+](C4CCCC4)CC3)[C@@H](CO)C2)o1 ZINC000219637513 785863368 /nfs/dbraw/zinc/86/33/68/785863368.db2.gz HEEULCODYDDQCQ-MRXNPFEDSA-N 2 1 348.491 2.217 50 0 EEAAMP CC(C)c1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](C(CO)CO)C3)C2)cc1 ZINC000072468502 216248104 /nfs/dbraw/zinc/24/81/04/216248104.db2.gz SBMJWLIEEHUTDN-OAQYLSRUSA-N 2 1 346.515 2.451 50 0 EEAAMP CC(C)c1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](C(CO)CO)C3)C2)cc1 ZINC000072468502 216248107 /nfs/dbraw/zinc/24/81/07/216248107.db2.gz SBMJWLIEEHUTDN-OAQYLSRUSA-N 2 1 346.515 2.451 50 0 EEAAMP CC(C)c1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+](C(CO)CO)C3)C2)cc1 ZINC000072468502 216248111 /nfs/dbraw/zinc/24/81/11/216248111.db2.gz SBMJWLIEEHUTDN-OAQYLSRUSA-N 2 1 346.515 2.451 50 0 EEAAMP CC(C)c1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](C(CO)CO)C3)C2)cc1 ZINC000072468502 216248113 /nfs/dbraw/zinc/24/81/13/216248113.db2.gz SBMJWLIEEHUTDN-OAQYLSRUSA-N 2 1 346.515 2.451 50 0 EEAAMP CCC[N@H+]1CC2(C[C@H]1C(=O)N(C)Cc1cc(C)no1)CC[NH+](C)CC2 ZINC000072475356 216253042 /nfs/dbraw/zinc/25/30/42/216253042.db2.gz CXUPQGACBUYMEM-KRWDZBQOSA-N 2 1 348.491 2.138 50 0 EEAAMP CC[N@H+]1CCC[C@H]1CSc1nnc(C[NH3+])n1-c1ccc(F)cc1 ZINC000426697562 241327269 /nfs/dbraw/zinc/32/72/69/241327269.db2.gz PPDWZRCUXXUMDL-AWEZNQCLSA-N 2 1 335.452 2.442 50 0 EEAAMP c1ccc(-c2nc3c(c(N4CC[N@H+]5CCC[C@@H]5C4)n2)CC[NH2+]C3)cc1 ZINC000067755315 463047672 /nfs/dbraw/zinc/04/76/72/463047672.db2.gz UVYCJIJZVLMBNB-MRXNPFEDSA-N 2 1 335.455 2.074 50 0 EEAAMP C[NH+](C)[C@H]1CCN(c2ncnc3c2CC[N@@H+](CC2CCCC2)CC3)C1 ZINC000072424413 463510694 /nfs/dbraw/zinc/51/06/94/463510694.db2.gz IHVOALPJDZJXCB-KRWDZBQOSA-N 2 1 343.519 2.208 50 0 EEAAMP CCC[N@H+]1CC2(C[C@@H]1C(=O)NCc1ccncc1C)CC[NH+](C)CC2 ZINC000072412390 216204728 /nfs/dbraw/zinc/20/47/28/216204728.db2.gz XBPDSJGTXAKLTQ-GOSISDBHSA-N 2 1 344.503 2.203 50 0 EEAAMP Cc1cc(C)c(C[N@H+]2C[C@H](CO)[C@H](C[NH+]3CCC(O)CC3)C2)cc1C ZINC000095366479 218299021 /nfs/dbraw/zinc/29/90/21/218299021.db2.gz KINCUXXKACTSJL-WOJBJXKFSA-N 2 1 346.515 2.109 50 0 EEAAMP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)N3CCC(C)CC3)C2)[nH+]1 ZINC000097200845 463346482 /nfs/dbraw/zinc/34/64/82/463346482.db2.gz AQKZWUCKRUGURH-KRWDZBQOSA-N 2 1 330.476 2.382 50 0 EEAAMP CC(C)(C)OC(=O)N1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C[NH3+])C1 ZINC000601012348 468718986 /nfs/dbraw/zinc/71/89/86/468718986.db2.gz BARXDJJIPJZAFU-APWZRJJASA-N 2 1 331.460 2.314 50 0 EEAAMP CCOc1ccc2[nH]c(=O)c(C[NH+](C)C[C@H]3CC[N@@H+](C)C3)cc2c1 ZINC000067856872 215233872 /nfs/dbraw/zinc/23/38/72/215233872.db2.gz ZNQOMJHTNZMCSG-AWEZNQCLSA-N 2 1 329.444 2.310 50 0 EEAAMP CCOc1ccc2[nH]c(=O)c(C[N@@H+](C)C[C@H]3CC[NH+](C)C3)cc2c1 ZINC000067856872 215233867 /nfs/dbraw/zinc/23/38/67/215233867.db2.gz ZNQOMJHTNZMCSG-AWEZNQCLSA-N 2 1 329.444 2.310 50 0 EEAAMP CCOc1ccc2[nH]c(=O)c(C[NH+](C)C[C@H]3CC[N@H+](C)C3)cc2c1 ZINC000067856872 215233869 /nfs/dbraw/zinc/23/38/69/215233869.db2.gz ZNQOMJHTNZMCSG-AWEZNQCLSA-N 2 1 329.444 2.310 50 0 EEAAMP O=C(C[NH+]1CCC(c2ccccc2)CC1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000215358551 241121392 /nfs/dbraw/zinc/12/13/92/241121392.db2.gz TUBXKWISBDYDTJ-IBGZPJMESA-N 2 1 327.472 2.173 50 0 EEAAMP COc1ccc(C[N@@H+](C)C[C@H]2COCCO2)cc1C[NH+]1CCCC1 ZINC000215550899 241132427 /nfs/dbraw/zinc/13/24/27/241132427.db2.gz CBALECBWELTGSK-SFHVURJKSA-N 2 1 334.460 2.138 50 0 EEAAMP [NH3+]CC[NH2+]CCOCCOc1ccc(Br)cc1Cl ZINC000020117886 212102843 /nfs/dbraw/zinc/10/28/43/212102843.db2.gz MBHDVWZNDFODNN-UHFFFAOYSA-N 2 1 337.645 2.046 50 0 EEAAMP COc1ccc(OC[C@H](O)C[NH+](C)C)c(C[NH2+]Cc2ccc(C)o2)c1 ZINC000012430083 211378702 /nfs/dbraw/zinc/37/87/02/211378702.db2.gz KFKFPXHNANDHGA-MRXNPFEDSA-N 2 1 348.443 2.188 50 0 EEAAMP Cn1cc[nH+]c1CCC[N@H+](C)C[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000299772852 258084545 /nfs/dbraw/zinc/08/45/45/258084545.db2.gz BIGFFLPFFOKQTA-MRXNPFEDSA-N 2 1 326.444 2.338 50 0 EEAAMP Cn1cc[nH+]c1CCC[N@@H+](C)C[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000299772852 258084546 /nfs/dbraw/zinc/08/45/46/258084546.db2.gz BIGFFLPFFOKQTA-MRXNPFEDSA-N 2 1 326.444 2.338 50 0 EEAAMP Cc1cnc(C)c(N2CC[NH+](C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC2)n1 ZINC000072161168 258064424 /nfs/dbraw/zinc/06/44/24/258064424.db2.gz BIYRLHFKPJFQNW-RBUKOAKNSA-N 2 1 343.519 2.480 50 0 EEAAMP Cc1cnc(C)c(N2CC[NH+](C[C@@H]3CCC[N@H+]4CCCC[C@H]34)CC2)n1 ZINC000072161168 258064426 /nfs/dbraw/zinc/06/44/26/258064426.db2.gz BIYRLHFKPJFQNW-RBUKOAKNSA-N 2 1 343.519 2.480 50 0 EEAAMP COc1c[nH]c(C[N@@H+]2CCCC[C@@H]2CCn2cc[nH+]c2C)cc1=O ZINC000077471766 462990497 /nfs/dbraw/zinc/99/04/97/462990497.db2.gz XQEIEMIBRUNAGK-MRXNPFEDSA-N 2 1 330.432 2.333 50 0 EEAAMP COc1c[nH]c(C[N@H+]2CCCC[C@@H]2CCn2cc[nH+]c2C)cc1=O ZINC000077471766 462990501 /nfs/dbraw/zinc/99/05/01/462990501.db2.gz XQEIEMIBRUNAGK-MRXNPFEDSA-N 2 1 330.432 2.333 50 0 EEAAMP [NH3+]CCN1C(=O)CC[C@H]2C[N@H+](Cc3ccc(Cl)s3)CC[C@H]21 ZINC000072422807 216211402 /nfs/dbraw/zinc/21/14/02/216211402.db2.gz WHPNVFVNJBOTJU-WCQYABFASA-N 2 1 327.881 2.173 50 0 EEAAMP CC[N@H+]1CCC[C@@H]1CSc1nnc(C[NH3+])n1Cc1ccccc1 ZINC000426711957 241330703 /nfs/dbraw/zinc/33/07/03/241330703.db2.gz BJILUABZQAGKIP-OAHLLOKOSA-N 2 1 331.489 2.362 50 0 EEAAMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@]2(C1)CCCN(CC1CCC1)C2=O ZINC000091952276 218094236 /nfs/dbraw/zinc/09/42/36/218094236.db2.gz OJCFRYHNGMUEEE-LJQANCHMSA-N 2 1 330.476 2.306 50 0 EEAAMP Cc1[nH+]ccn1CC[N@H+]1CC[C@@]2(C1)CCCN(CC1CCC1)C2=O ZINC000091952276 218094237 /nfs/dbraw/zinc/09/42/37/218094237.db2.gz OJCFRYHNGMUEEE-LJQANCHMSA-N 2 1 330.476 2.306 50 0 EEAAMP Cc1ccc[nH+]c1NCCNC(=O)C1CC[NH+](Cc2ccco2)CC1 ZINC000095379366 218311966 /nfs/dbraw/zinc/31/19/66/218311966.db2.gz PDUWHJMHXXPYPY-UHFFFAOYSA-N 2 1 342.443 2.423 50 0 EEAAMP C[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)NCc3ccc(F)cc3)C2)CC1 ZINC000015062273 1226501451 /nfs/dbraw/zinc/50/14/51/1226501451.db2.gz BDFQPQRQOLZGMR-INIZCTEOSA-N 2 1 333.451 2.248 50 0 EEAAMP C[NH+]1CCC([N@H+]2CCC[C@H](C(=O)NCc3ccc(F)cc3)C2)CC1 ZINC000015062273 1226501461 /nfs/dbraw/zinc/50/14/61/1226501461.db2.gz BDFQPQRQOLZGMR-INIZCTEOSA-N 2 1 333.451 2.248 50 0 EEAAMP Cc1cc(N2CCC[N@@H+](C3CCCC3)CC2)nc(N2CCOCC2)[nH+]1 ZINC001506397314 1114595476 /nfs/dbraw/zinc/59/54/76/1114595476.db2.gz UAINXPJDGMDZLE-UHFFFAOYSA-N 2 1 345.491 2.076 50 0 EEAAMP Cc1cc(N2CCC[N@H+](C3CCCC3)CC2)nc(N2CCOCC2)[nH+]1 ZINC001506397314 1114595479 /nfs/dbraw/zinc/59/54/79/1114595479.db2.gz UAINXPJDGMDZLE-UHFFFAOYSA-N 2 1 345.491 2.076 50 0 EEAAMP Cc1cc(C)cc(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@H](CCO)C2)c1 ZINC000039421373 213236187 /nfs/dbraw/zinc/23/61/87/213236187.db2.gz REHCZGZBVRNTAA-OAQYLSRUSA-N 2 1 345.531 2.266 50 0 EEAAMP CCO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)Nc1ccc(-n2ccnc2C)cc1 ZINC000095530334 485486951 /nfs/dbraw/zinc/48/69/51/485486951.db2.gz KVLRVDYVKCVFOZ-IRXDYDNUSA-N 2 1 343.431 2.021 50 0 EEAAMP C[C@@H](O)CC[NH+]1CCC(n2cc(C[NH+]3CCCCCC3)nn2)CC1 ZINC000023250891 679960527 /nfs/dbraw/zinc/96/05/27/679960527.db2.gz QFZNJOYEUDWUTN-MRXNPFEDSA-N 2 1 335.496 2.062 50 0 EEAAMP Cc1ccsc1C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](CCO)C1 ZINC000039532136 213239278 /nfs/dbraw/zinc/23/92/78/213239278.db2.gz IPQYDJIMUGPGOM-QGZVFWFLSA-N 2 1 337.533 2.019 50 0 EEAAMP Cc1ccc(CC2(NC(=O)[C@@H]3CC4(C[N@@H+]3C)CC[NH2+]CC4)CC2)cc1 ZINC000072473991 292092587 /nfs/dbraw/zinc/09/25/87/292092587.db2.gz FSTVOOOSDJETAA-SFHVURJKSA-N 2 1 341.499 2.260 50 0 EEAAMP Cc1[nH+]ccn1CC[C@H]1CCCC[N@H+]1Cc1cnc(N(C)C)nc1 ZINC000077322446 462968003 /nfs/dbraw/zinc/96/80/03/462968003.db2.gz XEYHEDAXWROQOI-QGZVFWFLSA-N 2 1 328.464 2.492 50 0 EEAAMP Cc1[nH+]ccn1CC[C@H]1CCCC[N@@H+]1Cc1cnc(N(C)C)nc1 ZINC000077322446 462968004 /nfs/dbraw/zinc/96/80/04/462968004.db2.gz XEYHEDAXWROQOI-QGZVFWFLSA-N 2 1 328.464 2.492 50 0 EEAAMP COCC[N@H+]1CC[C@H](C(=O)Nc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000824412344 800265218 /nfs/dbraw/zinc/26/52/18/800265218.db2.gz GTKYPRPJXOPFND-KRWDZBQOSA-N 2 1 331.460 2.189 50 0 EEAAMP COc1ccc(C[N@H+]2C[C@@H]3CC[C@H](C2)N(C[C@H]2[C@@H]4C[NH2+]C[C@H]24)C3)cc1 ZINC000102736720 219226501 /nfs/dbraw/zinc/22/65/01/219226501.db2.gz PMGANBDYZANGRG-GBMAXXPESA-N 2 1 341.499 2.057 50 0 EEAAMP COc1ccc(CN2C[C@H]3CC[C@H](C[N@H+]3C[C@H]3[C@@H]4C[NH2+]C[C@H]34)C2)cc1 ZINC000102736720 219226504 /nfs/dbraw/zinc/22/65/04/219226504.db2.gz PMGANBDYZANGRG-GBMAXXPESA-N 2 1 341.499 2.057 50 0 EEAAMP C[N@H+]1CC2(C[C@H]1C(=O)NC(C)(C)Cc1ccc(F)cc1)CC[NH2+]CC2 ZINC000072469397 216249037 /nfs/dbraw/zinc/24/90/37/216249037.db2.gz FPHSGANDHCWIJZ-KRWDZBQOSA-N 2 1 347.478 2.337 50 0 EEAAMP COc1ccc(C[NH2+]CC[C@]2(O)C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1OC ZINC000012489391 211393142 /nfs/dbraw/zinc/39/31/42/211393142.db2.gz XHIDEXZXYXIKAG-DOXZYTNZSA-N 2 1 336.476 2.275 50 0 EEAAMP C[N@@H+]1CCC[C@@H](CCC(=O)N2CCC[NH+](Cc3ccccn3)CC2)C1 ZINC000095358839 218291410 /nfs/dbraw/zinc/29/14/10/218291410.db2.gz OWQUVHQKSPQMGE-SFHVURJKSA-N 2 1 344.503 2.238 50 0 EEAAMP C[N@H+]1CCC[C@@H](CCC(=O)N2CCC[NH+](Cc3ccccn3)CC2)C1 ZINC000095358839 218291412 /nfs/dbraw/zinc/29/14/12/218291412.db2.gz OWQUVHQKSPQMGE-SFHVURJKSA-N 2 1 344.503 2.238 50 0 EEAAMP C[NH+]1CCC[C@@H](CCC(=O)N2CCC[N@H+](Cc3ccccn3)CC2)C1 ZINC000095358839 218291415 /nfs/dbraw/zinc/29/14/15/218291415.db2.gz OWQUVHQKSPQMGE-SFHVURJKSA-N 2 1 344.503 2.238 50 0 EEAAMP C[NH+]1CCC[C@@H](CCC(=O)N2CCC[N@@H+](Cc3ccccn3)CC2)C1 ZINC000095358839 218291417 /nfs/dbraw/zinc/29/14/17/218291417.db2.gz OWQUVHQKSPQMGE-SFHVURJKSA-N 2 1 344.503 2.238 50 0 EEAAMP C[N@H+](C[C@H](O)COCc1ccccc1Cl)C1CC[NH+](C)CC1 ZINC000006936245 462712946 /nfs/dbraw/zinc/71/29/46/462712946.db2.gz MZQJGZAZIPQTPV-INIZCTEOSA-N 2 1 326.868 2.244 50 0 EEAAMP C[N@@H+](C[C@H](O)COCc1ccccc1Cl)C1CC[NH+](C)CC1 ZINC000006936245 462712951 /nfs/dbraw/zinc/71/29/51/462712951.db2.gz MZQJGZAZIPQTPV-INIZCTEOSA-N 2 1 326.868 2.244 50 0 EEAAMP C[N@H+](C[C@H]1CC[C@@H](Cc2ccc(CO)cc2)O1)C1CC[NH+](C)CC1 ZINC000072436555 1253495542 /nfs/dbraw/zinc/49/55/42/1253495542.db2.gz BCIRLWZDRYMLMN-VQTJNVASSA-N 2 1 332.488 2.295 50 0 EEAAMP C[N@@H+](C[C@H]1CC[C@@H](Cc2ccc(CO)cc2)O1)C1CC[NH+](C)CC1 ZINC000072436555 1253495550 /nfs/dbraw/zinc/49/55/50/1253495550.db2.gz BCIRLWZDRYMLMN-VQTJNVASSA-N 2 1 332.488 2.295 50 0 EEAAMP c1ccc(SCC[NH+]2CCN([C@@H]3C[NH+]4CCC3CC4)CC2)cc1 ZINC000072164335 216053516 /nfs/dbraw/zinc/05/35/16/216053516.db2.gz CEDDOFNMZZAWQY-LJQANCHMSA-N 2 1 331.529 2.491 50 0 EEAAMP [NH3+]CCN1C(=O)CC[C@H]2C[N@H+](Cc3ccc4occc4c3)CC[C@H]21 ZINC000072430631 216224235 /nfs/dbraw/zinc/22/42/35/216224235.db2.gz MJGGUBODCKZHBV-DLBZAZTESA-N 2 1 327.428 2.204 50 0 EEAAMP COc1ccc([C@@H]2C[N@H+](C3CC[NH2+]CC3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095375971 218308790 /nfs/dbraw/zinc/30/87/90/218308790.db2.gz UAKQKJBSOSJQHI-PWRODBHTSA-N 2 1 341.499 2.309 50 0 EEAAMP O[C@@]1(C[NH+]2CCCCC2)CC[N@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000077379917 462977488 /nfs/dbraw/zinc/97/74/88/462977488.db2.gz OLBYPYCLRLYWOK-HXUWFJFHSA-N 2 1 340.471 2.295 50 0 EEAAMP O[C@@]1(C[NH+]2CCCCC2)CC[N@@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000077379917 462977489 /nfs/dbraw/zinc/97/74/89/462977489.db2.gz OLBYPYCLRLYWOK-HXUWFJFHSA-N 2 1 340.471 2.295 50 0 EEAAMP Cc1cc(N2CCN(C(=O)CC[N@@H+]3CCC[C@H](C)C3)CC2)cc(C)[nH+]1 ZINC000020997875 463032355 /nfs/dbraw/zinc/03/23/55/463032355.db2.gz UDWDGNXSSGMVTL-INIZCTEOSA-N 2 1 344.503 2.469 50 0 EEAAMP COc1nccnc1N1CCC(c2[nH+]ccn2CCC[NH+](C)C)CC1 ZINC000095500887 463094570 /nfs/dbraw/zinc/09/45/70/463094570.db2.gz MNMOLOIJKPPECJ-UHFFFAOYSA-N 2 1 344.463 2.017 50 0 EEAAMP CC[NH+]1CCN(C(=O)C2CC[NH+](Cc3ccccc3OC)CC2)CC1 ZINC000009659837 211111669 /nfs/dbraw/zinc/11/16/69/211111669.db2.gz DBJNAUMMCHVWSA-UHFFFAOYSA-N 2 1 345.487 2.071 50 0 EEAAMP O=C(CC[NH+]1CCOCC1)NC[C@H](c1ccccc1)[NH+]1CCCCC1 ZINC000299778541 258088341 /nfs/dbraw/zinc/08/83/41/258088341.db2.gz QQRGVPTUMIEDPG-LJQANCHMSA-N 2 1 345.487 2.052 50 0 EEAAMP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[NH+]1CCCCC1 ZINC000025404915 463122845 /nfs/dbraw/zinc/12/28/45/463122845.db2.gz KYLLZYHLEXRVCD-KRWDZBQOSA-N 2 1 345.487 2.009 50 0 EEAAMP Cc1cc(C)n(C[C@H]2CCC[N@H+]2C[C@@H](O)C[NH+]2CCC(C)CC2)n1 ZINC000106785808 463535632 /nfs/dbraw/zinc/53/56/32/463535632.db2.gz XBQSEGWUCYCBGG-MOPGFXCFSA-N 2 1 334.508 2.057 50 0 EEAAMP Cc1cc(C)n(C[C@H]2CCC[N@@H+]2C[C@@H](O)C[NH+]2CCC(C)CC2)n1 ZINC000106785808 463535638 /nfs/dbraw/zinc/53/56/38/463535638.db2.gz XBQSEGWUCYCBGG-MOPGFXCFSA-N 2 1 334.508 2.057 50 0 EEAAMP C[N@@H+](CC(=O)N1CCC[C@H]([NH2+]Cc2ccccc2)C1)[C@H]1CCSC1 ZINC000108460793 463605167 /nfs/dbraw/zinc/60/51/67/463605167.db2.gz LFGXZMQRGFMNEB-ROUUACIJSA-N 2 1 347.528 2.205 50 0 EEAAMP O=C1CC[N@@H+](C/C=C/c2ccccc2)CCN1CC[NH+]1CCCC1 ZINC000299770054 465886154 /nfs/dbraw/zinc/88/61/54/465886154.db2.gz LFHLVCYYCIWMOZ-RMKNXTFCSA-N 2 1 327.472 2.330 50 0 EEAAMP Cc1[nH+]ccn1CCC[NH+]1CCC2(CC1)Nc1ccccc1NC2=O ZINC000082087773 282204611 /nfs/dbraw/zinc/20/46/11/282204611.db2.gz GMZYQSJDGNAIKP-UHFFFAOYSA-N 2 1 339.443 2.480 50 0 EEAAMP CCOc1ccccc1C[N@H+]1CC[C@@H]2[C@@H](CCC(=O)N2CCC[NH3+])C1 ZINC000072411481 216204073 /nfs/dbraw/zinc/20/40/73/216204073.db2.gz ROSBWKANLLLQLP-FUHWJXTLSA-N 2 1 345.487 2.247 50 0 EEAAMP CN(C)c1cccc(C(=O)N2CCC[C@@H]([N@H+](C)CCC[NH+](C)C)C2)c1 ZINC000012430234 211378735 /nfs/dbraw/zinc/37/87/35/211378735.db2.gz OCWCPWOYKWTRDZ-LJQANCHMSA-N 2 1 346.519 2.241 50 0 EEAAMP CN(C)c1cccc(C(=O)N2CCC[C@@H]([N@@H+](C)CCC[NH+](C)C)C2)c1 ZINC000012430234 211378740 /nfs/dbraw/zinc/37/87/40/211378740.db2.gz OCWCPWOYKWTRDZ-LJQANCHMSA-N 2 1 346.519 2.241 50 0 EEAAMP O=C(C[NH+]1CCCCCC1)NC[C@H](c1cccnc1)[NH+]1CCCC1 ZINC000065498455 462781886 /nfs/dbraw/zinc/78/18/86/462781886.db2.gz SERYTICGBUCOBV-GOSISDBHSA-N 2 1 330.476 2.211 50 0 EEAAMP CC[NH+]1CCN(C(=O)CCC2CC[NH+]([C@@H]3CCSC3)CC2)CC1 ZINC000023542126 681651994 /nfs/dbraw/zinc/65/19/94/681651994.db2.gz ZQXSWVKYQBZQBS-QGZVFWFLSA-N 2 1 339.549 2.148 50 0 EEAAMP COc1ccc(C[NH2+]CC2CC2)cc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000014980063 1226385198 /nfs/dbraw/zinc/38/51/98/1226385198.db2.gz IUYUVGRYAUTFFV-QGZVFWFLSA-N 2 1 336.476 2.275 50 0 EEAAMP CO[C@]12CC[N@@H+](Cc3cccc(OCC[NH+](C)C)c3)[C@H]1C[C@H](O)CC2 ZINC000299766447 258081681 /nfs/dbraw/zinc/08/16/81/258081681.db2.gz OHMAQQRZMMSPGQ-YZGWKJHDSA-N 2 1 348.487 2.131 50 0 EEAAMP CC(C)c1cc(CNC(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](C)CC3)C2)on1 ZINC000015066433 1226502817 /nfs/dbraw/zinc/50/28/17/1226502817.db2.gz KEDDRHADSHTIEB-OAHLLOKOSA-N 2 1 348.491 2.220 50 0 EEAAMP CC(C)c1cc(CNC(=O)[C@@H]2CCC[N@H+](C3CC[NH+](C)CC3)C2)on1 ZINC000015066433 1226502825 /nfs/dbraw/zinc/50/28/25/1226502825.db2.gz KEDDRHADSHTIEB-OAHLLOKOSA-N 2 1 348.491 2.220 50 0 EEAAMP O=C(C[NH+]1CCCCC1)Nc1ccc(NC(=O)[C@H]2CCC[NH2+]C2)cc1 ZINC000952987005 796154382 /nfs/dbraw/zinc/15/43/82/796154382.db2.gz IBSYVTYJNYIZQB-HNNXBMFYSA-N 2 1 344.459 2.049 50 0 EEAAMP O=C(C[NH+]1CCCCCC1)N1CCC[N@@H+](CCC(F)(F)F)CC1 ZINC001529119482 1121324932 /nfs/dbraw/zinc/32/49/32/1121324932.db2.gz WVKOYCPTRYCXAW-UHFFFAOYSA-N 2 1 335.414 2.349 50 0 EEAAMP O=C(C[NH+]1CCCCCC1)N1CCC[N@H+](CCC(F)(F)F)CC1 ZINC001529119482 1121324939 /nfs/dbraw/zinc/32/49/39/1121324939.db2.gz WVKOYCPTRYCXAW-UHFFFAOYSA-N 2 1 335.414 2.349 50 0 EEAAMP [NH3+]CC[C@@H]1CCC[N@H+](Cc2cccn2S(=O)(=O)c2ccccc2)C1 ZINC000067489725 215152810 /nfs/dbraw/zinc/15/28/10/215152810.db2.gz ZBWWHEOHXUHTFC-INIZCTEOSA-N 2 1 347.484 2.286 50 0 EEAAMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cccn2S(=O)(=O)c2ccccc2)C1 ZINC000067489725 215152812 /nfs/dbraw/zinc/15/28/12/215152812.db2.gz ZBWWHEOHXUHTFC-INIZCTEOSA-N 2 1 347.484 2.286 50 0 EEAAMP CCc1[nH+]ccn1CCC[NH2+]C1CCN(C(=O)c2ccncc2)CC1 ZINC000952966916 796129551 /nfs/dbraw/zinc/12/95/51/796129551.db2.gz XNURMBGHKGNENA-UHFFFAOYSA-N 2 1 341.459 2.125 50 0 EEAAMP Cc1ccc(C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)o1 ZINC000023360234 212371320 /nfs/dbraw/zinc/37/13/20/212371320.db2.gz LAFGJPMDJBPLAV-IBGZPJMESA-N 2 1 349.519 2.329 50 0 EEAAMP Cc1ccc(C[N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)o1 ZINC000023360234 212371323 /nfs/dbraw/zinc/37/13/23/212371323.db2.gz LAFGJPMDJBPLAV-IBGZPJMESA-N 2 1 349.519 2.329 50 0 EEAAMP COc1ccc(C[N@@H+](C)C[C@@H]2COCCO2)cc1C[NH+]1CCCC1 ZINC000215550853 241131510 /nfs/dbraw/zinc/13/15/10/241131510.db2.gz CBALECBWELTGSK-GOSISDBHSA-N 2 1 334.460 2.138 50 0 EEAAMP Cc1c[nH+]ccc1NCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000095370263 218302331 /nfs/dbraw/zinc/30/23/31/218302331.db2.gz QMUBFRLSAIHMAV-MRXNPFEDSA-N 2 1 342.443 2.423 50 0 EEAAMP CC(C)([NH3+])C(=O)N1C[C@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095377113 218310399 /nfs/dbraw/zinc/31/03/99/218310399.db2.gz NNGWHCZSNGFKDH-BRWVUGGUSA-N 2 1 349.425 2.091 50 0 EEAAMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](Cc3cc(=O)n4ccccc4n3)C2)c1 ZINC000065449363 462772912 /nfs/dbraw/zinc/77/29/12/462772912.db2.gz VDWSKPGUMBSXSU-INIZCTEOSA-N 2 1 349.438 2.332 50 0 EEAAMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](Cc3cc(=O)n4ccccc4n3)C2)c1 ZINC000065449363 462772919 /nfs/dbraw/zinc/77/29/19/462772919.db2.gz VDWSKPGUMBSXSU-INIZCTEOSA-N 2 1 349.438 2.332 50 0 EEAAMP CC(=O)c1ccccc1NC(=O)CC[N@@H+](C)C[C@@]1(C)CC[NH+](C)C1 ZINC000065453249 462773204 /nfs/dbraw/zinc/77/32/04/462773204.db2.gz YCKXZRKHYSCBMJ-LJQANCHMSA-N 2 1 331.460 2.491 50 0 EEAAMP CC(=O)c1ccccc1NC(=O)CC[N@H+](C)C[C@@]1(C)CC[NH+](C)C1 ZINC000065453249 462773211 /nfs/dbraw/zinc/77/32/11/462773211.db2.gz YCKXZRKHYSCBMJ-LJQANCHMSA-N 2 1 331.460 2.491 50 0 EEAAMP CC(=O)c1ccccc1NC(=O)CC[NH+](C)C[C@@]1(C)CC[N@H+](C)C1 ZINC000065453249 462773216 /nfs/dbraw/zinc/77/32/16/462773216.db2.gz YCKXZRKHYSCBMJ-LJQANCHMSA-N 2 1 331.460 2.491 50 0 EEAAMP CC(=O)c1ccccc1NC(=O)CC[NH+](C)C[C@@]1(C)CC[N@@H+](C)C1 ZINC000065453249 462773222 /nfs/dbraw/zinc/77/32/22/462773222.db2.gz YCKXZRKHYSCBMJ-LJQANCHMSA-N 2 1 331.460 2.491 50 0 EEAAMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N(C)C[C@H]2CC[NH+](C)C2)C1 ZINC000106839300 463540775 /nfs/dbraw/zinc/54/07/75/463540775.db2.gz HPJYOGXRMXEUTN-ZIFCJYIRSA-N 2 1 344.503 2.415 50 0 EEAAMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)N(C)C[C@H]2CC[N@H+](C)C2)C1 ZINC000106839300 463540778 /nfs/dbraw/zinc/54/07/78/463540778.db2.gz HPJYOGXRMXEUTN-ZIFCJYIRSA-N 2 1 344.503 2.415 50 0 EEAAMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)N(C)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000106839300 463540781 /nfs/dbraw/zinc/54/07/81/463540781.db2.gz HPJYOGXRMXEUTN-ZIFCJYIRSA-N 2 1 344.503 2.415 50 0 EEAAMP C[NH2+]CCN1C(=O)CC[C@H]2C[N@H+](C/C=C/c3ccc(F)cc3)CC[C@H]21 ZINC000072409778 216201128 /nfs/dbraw/zinc/20/11/28/216201128.db2.gz CDPWTBGKZQZQLH-OYYPXDIRSA-N 2 1 345.462 2.371 50 0 EEAAMP C[NH+]1CCN(C(=O)CC[C@H]2CCC[N@H+](Cc3cccc(O)c3)C2)CC1 ZINC000012208970 211320798 /nfs/dbraw/zinc/32/07/98/211320798.db2.gz GTXNUSHFGWVNOM-QGZVFWFLSA-N 2 1 345.487 2.158 50 0 EEAAMP C[NH+]1CCN(C(=O)CC[C@H]2CCC[N@@H+](Cc3cccc(O)c3)C2)CC1 ZINC000012208970 211320804 /nfs/dbraw/zinc/32/08/04/211320804.db2.gz GTXNUSHFGWVNOM-QGZVFWFLSA-N 2 1 345.487 2.158 50 0 EEAAMP C[NH+](C)CCC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccnc(Cl)c2)C1 ZINC000011814189 211249689 /nfs/dbraw/zinc/24/96/89/211249689.db2.gz PCMRHNWEXYBHJQ-OAHLLOKOSA-N 2 1 338.883 2.223 50 0 EEAAMP C[NH+](C)CCC[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccnc(Cl)c2)C1 ZINC000011814189 211249693 /nfs/dbraw/zinc/24/96/93/211249693.db2.gz PCMRHNWEXYBHJQ-OAHLLOKOSA-N 2 1 338.883 2.223 50 0 EEAAMP Cc1[nH+]ccn1Cc1nnc([C@@H]2CCC[N@@H+](C3CCCC3)C2)n1C ZINC000095371358 218303757 /nfs/dbraw/zinc/30/37/57/218303757.db2.gz CCHQOIGCNMEBBS-OAHLLOKOSA-N 2 1 328.464 2.490 50 0 EEAAMP Cc1[nH+]ccn1Cc1nnc([C@@H]2CCC[N@H+](C3CCCC3)C2)n1C ZINC000095371358 218303758 /nfs/dbraw/zinc/30/37/58/218303758.db2.gz CCHQOIGCNMEBBS-OAHLLOKOSA-N 2 1 328.464 2.490 50 0 EEAAMP Cn1c(C[NH+]2CCC(c3ccccc3)CC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000220663543 464118812 /nfs/dbraw/zinc/11/88/12/464118812.db2.gz ILPWVIMTMXJKJL-QAQDUYKDSA-N 2 1 325.460 2.399 50 0 EEAAMP Cc1cc(C)cc(C[N@H+]2C[C@H](CO)[C@H](C[NH+]3CCC(CO)CC3)C2)c1 ZINC000092078339 218115889 /nfs/dbraw/zinc/11/58/89/218115889.db2.gz CACDHEXEQPFLDF-NHCUHLMSSA-N 2 1 346.515 2.048 50 0 EEAAMP C[NH+](C)[C@@H](C(=O)N1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1 ZINC000095388576 218320502 /nfs/dbraw/zinc/32/05/02/218320502.db2.gz SXGPUBGAFAROBG-GOSISDBHSA-N 2 1 342.418 2.172 50 0 EEAAMP Oc1cccc([C@@H]2C[N@H+](C3CC[NH2+]CC3)[C@H]3[C@@H]2N2CCC3CC2)c1 ZINC000095383719 218316237 /nfs/dbraw/zinc/31/62/37/218316237.db2.gz OCOKWGBFUGUDJE-XUVXKRRUSA-N 2 1 327.472 2.006 50 0 EEAAMP Oc1cccc([C@@H]2CN(C3CC[NH2+]CC3)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000095383719 218316238 /nfs/dbraw/zinc/31/62/38/218316238.db2.gz OCOKWGBFUGUDJE-XUVXKRRUSA-N 2 1 327.472 2.006 50 0 EEAAMP O=C(CC[NH+]1CCOCC1)NC[C@@H](c1ccccc1)[NH+]1CCCCC1 ZINC000299778527 258088422 /nfs/dbraw/zinc/08/84/22/258088422.db2.gz QQRGVPTUMIEDPG-IBGZPJMESA-N 2 1 345.487 2.052 50 0 EEAAMP CCCCN(Cc1cccnc1)C(=O)[C@H]1CC2(C[N@H+]1C)CC[NH2+]CC2 ZINC000072462571 203228631 /nfs/dbraw/zinc/22/86/31/203228631.db2.gz TZVOTRVVFUYJQK-GOSISDBHSA-N 2 1 344.503 2.284 50 0 EEAAMP Nc1nc(NCc2cc3n(n2)CCC[N@@H+](C2CCCCC2)C3)cc[nH+]1 ZINC000082125512 463517434 /nfs/dbraw/zinc/51/74/34/463517434.db2.gz TWCPIVXTTMZRNW-UHFFFAOYSA-N 2 1 341.463 2.406 50 0 EEAAMP Nc1nc(NCc2cc3n(n2)CCC[N@H+](C2CCCCC2)C3)cc[nH+]1 ZINC000082125512 463517437 /nfs/dbraw/zinc/51/74/37/463517437.db2.gz TWCPIVXTTMZRNW-UHFFFAOYSA-N 2 1 341.463 2.406 50 0 EEAAMP OC[C@@]12C[N@@H+](C3CC[NH+](CCc4ccccc4)CC3)C[C@@H]1COCC2 ZINC001772707672 1179296913 /nfs/dbraw/zinc/29/69/13/1179296913.db2.gz SLVMRBKMFMFGPY-TZIWHRDSSA-N 2 1 344.499 2.024 50 0 EEAAMP OC[C@@]12C[N@H+](C3CC[NH+](CCc4ccccc4)CC3)C[C@@H]1COCC2 ZINC001772707672 1179296917 /nfs/dbraw/zinc/29/69/17/1179296917.db2.gz SLVMRBKMFMFGPY-TZIWHRDSSA-N 2 1 344.499 2.024 50 0 EEAAMP COCC[N@@H+]1CC[C@H](C[NH+](C)Cc2ccc3c(c2)OC(F)(F)O3)C1 ZINC001506396827 1114595211 /nfs/dbraw/zinc/59/52/11/1114595211.db2.gz WPTUPHPIBHNRFB-CQSZACIVSA-N 2 1 342.386 2.408 50 0 EEAAMP COCC[N@H+]1CC[C@H](C[NH+](C)Cc2ccc3c(c2)OC(F)(F)O3)C1 ZINC001506396827 1114595214 /nfs/dbraw/zinc/59/52/14/1114595214.db2.gz WPTUPHPIBHNRFB-CQSZACIVSA-N 2 1 342.386 2.408 50 0 EEAAMP COCC[NH+]1CC[C@H](C[N@H+](C)Cc2ccc3c(c2)OC(F)(F)O3)C1 ZINC001506396827 1114595216 /nfs/dbraw/zinc/59/52/16/1114595216.db2.gz WPTUPHPIBHNRFB-CQSZACIVSA-N 2 1 342.386 2.408 50 0 EEAAMP COCC[NH+]1CC[C@H](C[N@@H+](C)Cc2ccc3c(c2)OC(F)(F)O3)C1 ZINC001506396827 1114595218 /nfs/dbraw/zinc/59/52/18/1114595218.db2.gz WPTUPHPIBHNRFB-CQSZACIVSA-N 2 1 342.386 2.408 50 0 EEAAMP CCC[N@H+]1CC2(C[C@@H]1C(=O)NCCc1ccco1)CC[NH+](C)CC2 ZINC000072419637 203219323 /nfs/dbraw/zinc/21/93/23/203219323.db2.gz OSIIWGVFNYBFMH-QGZVFWFLSA-N 2 1 333.476 2.135 50 0 EEAAMP O[C@]1(C[NH+]2CCCC2)CCC[N@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000077353657 203382454 /nfs/dbraw/zinc/38/24/54/203382454.db2.gz VURDUIAQQBUVCR-FQEVSTJZSA-N 2 1 340.471 2.295 50 0 EEAAMP O[C@]1(C[NH+]2CCCC2)CCC[N@@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000077353657 203382457 /nfs/dbraw/zinc/38/24/57/203382457.db2.gz VURDUIAQQBUVCR-FQEVSTJZSA-N 2 1 340.471 2.295 50 0 EEAAMP COc1ccc(C[NH2+]CC[C@]2(O)C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1OC ZINC000012489380 462854170 /nfs/dbraw/zinc/85/41/70/462854170.db2.gz XHIDEXZXYXIKAG-KHYOSLBOSA-N 2 1 336.476 2.275 50 0 EEAAMP [NH3+]CCc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3CC2CCC2)cc1 ZINC000091270187 462868572 /nfs/dbraw/zinc/86/85/72/462868572.db2.gz ZEULNAQBUMSJBB-VQTJNVASSA-N 2 1 341.499 2.411 50 0 EEAAMP CC[N@@H+](CCO)C[C@@H]1C[NH+](Cc2cccc3ccccc32)C[C@@H]1CO ZINC000091602872 462891624 /nfs/dbraw/zinc/89/16/24/462891624.db2.gz DUOHFUGWFPGREW-WOJBJXKFSA-N 2 1 342.483 2.194 50 0 EEAAMP CC[NH+](CCO)C[C@@H]1C[N@H+](Cc2cccc3ccccc32)C[C@@H]1CO ZINC000091602872 462891628 /nfs/dbraw/zinc/89/16/28/462891628.db2.gz DUOHFUGWFPGREW-WOJBJXKFSA-N 2 1 342.483 2.194 50 0 EEAAMP CC[NH+](CCO)C[C@@H]1C[N@@H+](Cc2cccc3ccccc32)C[C@@H]1CO ZINC000091602872 462891633 /nfs/dbraw/zinc/89/16/33/462891633.db2.gz DUOHFUGWFPGREW-WOJBJXKFSA-N 2 1 342.483 2.194 50 0 EEAAMP CC(C)C[N@@H+]1CCn2nc(CNc3[nH+]cnc4[nH]ccc43)cc2C1 ZINC000082114376 463515266 /nfs/dbraw/zinc/51/52/66/463515266.db2.gz CBPMJGIPAJIQDY-UHFFFAOYSA-N 2 1 325.420 2.238 50 0 EEAAMP CC(C)C[N@H+]1CCn2nc(CNc3[nH+]cnc4[nH]ccc43)cc2C1 ZINC000082114376 463515269 /nfs/dbraw/zinc/51/52/69/463515269.db2.gz CBPMJGIPAJIQDY-UHFFFAOYSA-N 2 1 325.420 2.238 50 0 EEAAMP C[C@H]1Cc2ccccc2N1C(=O)C[N@H+](C)CCCc1[nH+]ccn1C ZINC000244858554 464463547 /nfs/dbraw/zinc/46/35/47/464463547.db2.gz VNGKXXSYSUHMDR-HNNXBMFYSA-N 2 1 326.444 2.262 50 0 EEAAMP C[C@H]1Cc2ccccc2N1C(=O)C[N@@H+](C)CCCc1[nH+]ccn1C ZINC000244858554 464463550 /nfs/dbraw/zinc/46/35/50/464463550.db2.gz VNGKXXSYSUHMDR-HNNXBMFYSA-N 2 1 326.444 2.262 50 0 EEAAMP Nc1nc([C@@H]2CCOC2)cc(N2CCC[N@H+](C3CCCCC3)CC2)n1 ZINC000426582868 467144180 /nfs/dbraw/zinc/14/41/80/467144180.db2.gz RMGRUMNEMXUFNI-OAHLLOKOSA-N 2 1 345.491 2.408 50 0 EEAAMP Nc1nc(N2CCC[N@@H+](C3CCCCC3)CC2)cc([C@@H]2CCOC2)[nH+]1 ZINC000426582868 467144184 /nfs/dbraw/zinc/14/41/84/467144184.db2.gz RMGRUMNEMXUFNI-OAHLLOKOSA-N 2 1 345.491 2.408 50 0 EEAAMP Nc1nc(N2CCC[N@H+](C3CCCCC3)CC2)cc([C@@H]2CCOC2)[nH+]1 ZINC000426582868 467144187 /nfs/dbraw/zinc/14/41/87/467144187.db2.gz RMGRUMNEMXUFNI-OAHLLOKOSA-N 2 1 345.491 2.408 50 0 EEAAMP CN(CCC[NH+]1CCCCCC1)c1cc([C@@H]2CCOC2)[nH+]c(N)n1 ZINC000426669173 467144628 /nfs/dbraw/zinc/14/46/28/467144628.db2.gz WAZDDRWVWQVEGT-OAHLLOKOSA-N 2 1 333.480 2.265 50 0 EEAAMP CC(C)(C)OC(=O)N1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C[NH3+])C1 ZINC000601012351 468718623 /nfs/dbraw/zinc/71/86/23/468718623.db2.gz BARXDJJIPJZAFU-VQIMIIECSA-N 2 1 331.460 2.314 50 0 EEAAMP Cc1ccc(C)c(OC[C@@H](O)C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c1C ZINC000585136874 468987749 /nfs/dbraw/zinc/98/77/49/468987749.db2.gz WQWKWLGBENXBOE-QYZOEREBSA-N 2 1 332.488 2.235 50 0 EEAAMP Cc1ccc(C)c(OC[C@@H](O)C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1C ZINC000585136874 468987753 /nfs/dbraw/zinc/98/77/53/468987753.db2.gz WQWKWLGBENXBOE-QYZOEREBSA-N 2 1 332.488 2.235 50 0 EEAAMP Cc1ccc(C)c(OC[C@@H](O)C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1C ZINC000585136874 468987756 /nfs/dbraw/zinc/98/77/56/468987756.db2.gz WQWKWLGBENXBOE-QYZOEREBSA-N 2 1 332.488 2.235 50 0 EEAAMP Cc1cc(C)n(CCC[N@@H+]2CC[C@@H]([NH+]3CCCCCC3)[C@H](O)C2)n1 ZINC000012713460 1221905888 /nfs/dbraw/zinc/90/58/88/1221905888.db2.gz YEVCYQGOIIOBID-RTBURBONSA-N 2 1 334.508 2.201 50 0 EEAAMP Cc1cc(C)n(CCC[N@H+]2CC[C@@H]([NH+]3CCCCCC3)[C@H](O)C2)n1 ZINC000012713460 1221905893 /nfs/dbraw/zinc/90/58/93/1221905893.db2.gz YEVCYQGOIIOBID-RTBURBONSA-N 2 1 334.508 2.201 50 0 EEAAMP CCN(CC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CCSC ZINC000012576366 788329412 /nfs/dbraw/zinc/32/94/12/788329412.db2.gz BBOGTNKRXVVYEL-UHFFFAOYSA-N 2 1 341.565 2.394 50 0 EEAAMP CC[N@H+]1CCCC[C@H]1CNC(=O)N1CCN(c2cc[nH+]cc2C)CC1 ZINC000426689885 241327660 /nfs/dbraw/zinc/32/76/60/241327660.db2.gz PRLFENMAQBKKTH-KRWDZBQOSA-N 2 1 345.491 2.096 50 0 EEAAMP CC(C)Cc1cc(C[NH+]2CCC(CO)(C[NH+]3CCCC3)CC2)[nH]n1 ZINC000219358729 241383507 /nfs/dbraw/zinc/38/35/07/241383507.db2.gz LBDUJMMZHNKEFT-UHFFFAOYSA-N 2 1 334.508 2.279 50 0 EEAAMP C[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)N3Cc4ccccc4C3)C2)CC1 ZINC000071721447 203104890 /nfs/dbraw/zinc/10/48/90/203104890.db2.gz RGIIZVJFIWKSIP-GOSISDBHSA-N 2 1 327.472 2.335 50 0 EEAAMP C[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)N3Cc4ccccc4C3)C2)CC1 ZINC000071721447 203104894 /nfs/dbraw/zinc/10/48/94/203104894.db2.gz RGIIZVJFIWKSIP-GOSISDBHSA-N 2 1 327.472 2.335 50 0 EEAAMP Cc1[nH+]ccn1CC(=O)N1CC[C@H](C2CC[NH+](CC(C)C)CC2)C1 ZINC000015077304 462940286 /nfs/dbraw/zinc/94/02/86/462940286.db2.gz ZAQYDIXUZRFENW-SFHVURJKSA-N 2 1 332.492 2.408 50 0 EEAAMP Cc1ccc(C)c(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@H](CCO)C2)c1 ZINC000039542523 463451170 /nfs/dbraw/zinc/45/11/70/463451170.db2.gz DBQKRNRKXKRICF-OAQYLSRUSA-N 2 1 345.531 2.266 50 0 EEAAMP C[NH+](C)[C@H]1[C@@H]2CC[C@H]1CN(C(=O)C[N@H+](C)Cc1ccc(F)cc1)C2 ZINC000220248459 464115772 /nfs/dbraw/zinc/11/57/72/464115772.db2.gz TXKMOUYWBLEIIU-MNZLEMJZSA-N 2 1 333.451 2.056 50 0 EEAAMP C[NH+](C)[C@H]1[C@@H]2CC[C@H]1CN(C(=O)C[N@@H+](C)Cc1ccc(F)cc1)C2 ZINC000220248459 464115777 /nfs/dbraw/zinc/11/57/77/464115777.db2.gz TXKMOUYWBLEIIU-MNZLEMJZSA-N 2 1 333.451 2.056 50 0 EEAAMP CC[C@@H]1C=CC[N@H+]1Cc1ccccc1OCCN1CC[NH+](C)CC1 ZINC000952974096 796117063 /nfs/dbraw/zinc/11/70/63/796117063.db2.gz VZKBLBMBSBNWEU-LJQANCHMSA-N 2 1 329.488 2.463 50 0 EEAAMP Cc1[nH+]cn(CC(=O)NCC[NH+]2CCC(c3ccccc3)CC2)c1C ZINC000299794464 258099451 /nfs/dbraw/zinc/09/94/51/258099451.db2.gz KRSJFOIQHANBHR-UHFFFAOYSA-N 2 1 340.471 2.496 50 0 EEAAMP Cc1ccc(C[NH+]2CCC3(CCC(=O)N([C@H]4CC[N@H+](C)C4)C3)CC2)o1 ZINC000091746417 462903256 /nfs/dbraw/zinc/90/32/56/462903256.db2.gz LDWZXJJEKAXSLI-KRWDZBQOSA-N 2 1 345.487 2.497 50 0 EEAAMP Cc1ccc(CN(C)C(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000015068116 462939237 /nfs/dbraw/zinc/93/92/37/462939237.db2.gz YGPURHZVCOHMEO-MRXNPFEDSA-N 2 1 333.476 2.353 50 0 EEAAMP Cc1ccc(CN(C)C(=O)[C@@H]2CCC[N@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000015068116 462939241 /nfs/dbraw/zinc/93/92/41/462939241.db2.gz YGPURHZVCOHMEO-MRXNPFEDSA-N 2 1 333.476 2.353 50 0 EEAAMP COCC[NH+]1CCC(CNC(=O)[C@@H](c2ccccc2C)[NH+](C)C)CC1 ZINC000095370983 463069298 /nfs/dbraw/zinc/06/92/98/463069298.db2.gz NNYUJKMEYIKUKU-LJQANCHMSA-N 2 1 347.503 2.072 50 0 EEAAMP C[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3ccc(F)cc3)C2)CC1 ZINC000015062272 1226501602 /nfs/dbraw/zinc/50/16/02/1226501602.db2.gz BDFQPQRQOLZGMR-MRXNPFEDSA-N 2 1 333.451 2.248 50 0 EEAAMP C[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)NCc3ccc(F)cc3)C2)CC1 ZINC000015062272 1226501613 /nfs/dbraw/zinc/50/16/13/1226501613.db2.gz BDFQPQRQOLZGMR-MRXNPFEDSA-N 2 1 333.451 2.248 50 0 EEAAMP COCC[N@@H+]1CC[C@@H](C(=O)Nc2ccccc2Cn2cc[nH+]c2C)C1 ZINC000824412356 800265166 /nfs/dbraw/zinc/26/51/66/800265166.db2.gz HTJNIROFCUSDHZ-QGZVFWFLSA-N 2 1 342.443 2.147 50 0 EEAAMP COCC[N@H+]1CC[C@@H](C(=O)Nc2ccccc2Cn2cc[nH+]c2C)C1 ZINC000824412356 800265173 /nfs/dbraw/zinc/26/51/73/800265173.db2.gz HTJNIROFCUSDHZ-QGZVFWFLSA-N 2 1 342.443 2.147 50 0 EEAAMP OCCC[NH+]1CCN(Cc2cc(C[NH+]3CCCCC3)cs2)CC1 ZINC000216322544 241184621 /nfs/dbraw/zinc/18/46/21/241184621.db2.gz KEWTZBFBTHNXTA-UHFFFAOYSA-N 2 1 337.533 2.234 50 0 EEAAMP O[C@]1(C[NH+]2CCCCC2)CC[N@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000077379913 203385281 /nfs/dbraw/zinc/38/52/81/203385281.db2.gz OLBYPYCLRLYWOK-FQEVSTJZSA-N 2 1 340.471 2.295 50 0 EEAAMP O[C@]1(C[NH+]2CCCCC2)CC[N@@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000077379913 203385284 /nfs/dbraw/zinc/38/52/84/203385284.db2.gz OLBYPYCLRLYWOK-FQEVSTJZSA-N 2 1 340.471 2.295 50 0 EEAAMP O=C(C[NH+]1CCCCCC1)NC[C@@H](c1cccnc1)[NH+]1CCCC1 ZINC000065498461 462782486 /nfs/dbraw/zinc/78/24/86/462782486.db2.gz SERYTICGBUCOBV-SFHVURJKSA-N 2 1 330.476 2.211 50 0 EEAAMP COCC[N@@H+]1CCC[C@]2(CC[NH+](Cc3cccc4nonc43)C2)C1 ZINC000011753581 462838289 /nfs/dbraw/zinc/83/82/89/462838289.db2.gz ZZIAECIYCNYGPP-SFHVURJKSA-N 2 1 330.432 2.157 50 0 EEAAMP COCC[N@H+]1CCC[C@]2(CC[NH+](Cc3cccc4nonc43)C2)C1 ZINC000011753581 462838294 /nfs/dbraw/zinc/83/82/94/462838294.db2.gz ZZIAECIYCNYGPP-SFHVURJKSA-N 2 1 330.432 2.157 50 0 EEAAMP COCC[NH+]1CCC[C@]2(CC[N@H+](Cc3cccc4nonc43)C2)C1 ZINC000011753581 462838298 /nfs/dbraw/zinc/83/82/98/462838298.db2.gz ZZIAECIYCNYGPP-SFHVURJKSA-N 2 1 330.432 2.157 50 0 EEAAMP COCC[NH+]1CCC[C@]2(CC[N@@H+](Cc3cccc4nonc43)C2)C1 ZINC000011753581 462838301 /nfs/dbraw/zinc/83/83/01/462838301.db2.gz ZZIAECIYCNYGPP-SFHVURJKSA-N 2 1 330.432 2.157 50 0 EEAAMP COCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000952980733 796129213 /nfs/dbraw/zinc/12/92/13/796129213.db2.gz KTIJSIKISAQILS-ZDUSSCGKSA-N 2 1 328.359 2.066 50 0 EEAAMP O=C(C[NH+]1CCCCC1)Nc1ccc(NC(=O)[C@@H]2CCC[NH2+]C2)cc1 ZINC000952987006 796154188 /nfs/dbraw/zinc/15/41/88/796154188.db2.gz IBSYVTYJNYIZQB-OAHLLOKOSA-N 2 1 344.459 2.049 50 0 EEAAMP Cc1ccccc1C[NH+]1CCN(C(=O)NCC[C@@H]2CCC[N@H+]2C)CC1 ZINC000426465412 241289815 /nfs/dbraw/zinc/28/98/15/241289815.db2.gz FBMJECVNIZESJP-IBGZPJMESA-N 2 1 344.503 2.307 50 0 EEAAMP Cc1ccccc1C[NH+]1CCN(C(=O)NCC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000426465412 241289825 /nfs/dbraw/zinc/28/98/25/241289825.db2.gz FBMJECVNIZESJP-IBGZPJMESA-N 2 1 344.503 2.307 50 0 EEAAMP CCCCN(Cc1cccnc1)C(=O)[C@@H]1CC2(C[N@H+]1C)CC[NH2+]CC2 ZINC000072462570 203228648 /nfs/dbraw/zinc/22/86/48/203228648.db2.gz TZVOTRVVFUYJQK-SFHVURJKSA-N 2 1 344.503 2.284 50 0 EEAAMP COc1ccc(-n2cccn2)c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000067806007 463053642 /nfs/dbraw/zinc/05/36/42/463053642.db2.gz XLRHFVYDEBOOPI-UHFFFAOYSA-N 2 1 326.444 2.456 50 0 EEAAMP Cc1ccccc1CNC(=O)NC[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000067895877 463065139 /nfs/dbraw/zinc/06/51/39/463065139.db2.gz ZGMVLOHZTYJSLX-QGZVFWFLSA-N 2 1 344.503 2.210 50 0 EEAAMP Cc1ccccc1CNC(=O)NC[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000067895877 463065143 /nfs/dbraw/zinc/06/51/43/463065143.db2.gz ZGMVLOHZTYJSLX-QGZVFWFLSA-N 2 1 344.503 2.210 50 0 EEAAMP Cc1cc[nH+]c(NCCNC(=O)[C@@H]2CCC[N@@H+](Cc3ccco3)C2)c1 ZINC000095352197 463067112 /nfs/dbraw/zinc/06/71/12/463067112.db2.gz LTONOPHRMORYSG-MRXNPFEDSA-N 2 1 342.443 2.423 50 0 EEAAMP Cc1[nH+]ccn1Cc1nnc([C@H]2CCC[N@H+](CC3CCC3)C2)n1C ZINC000095387379 463072467 /nfs/dbraw/zinc/07/24/67/463072467.db2.gz GZMLRTGXBMSVAV-INIZCTEOSA-N 2 1 328.464 2.348 50 0 EEAAMP Cc1[nH+]ccn1Cc1nnc([C@H]2CCC[N@@H+](CC3CCC3)C2)n1C ZINC000095387379 463072473 /nfs/dbraw/zinc/07/24/73/463072473.db2.gz GZMLRTGXBMSVAV-INIZCTEOSA-N 2 1 328.464 2.348 50 0 EEAAMP COc1cccc2c1OC[C@H]([NH+]1CCN(c3cc[nH+]cc3)CC1)C2 ZINC000106584095 776500141 /nfs/dbraw/zinc/50/01/41/776500141.db2.gz GGNSEUVIKFLBIB-QGZVFWFLSA-N 2 1 325.412 2.216 50 0 EEAAMP Cn1cc(C[N@H+](C)Cc2cccc(OC[C@@H]3CCC[NH2+]C3)c2)cn1 ZINC000299796161 258100182 /nfs/dbraw/zinc/10/01/82/258100182.db2.gz PSSAKBAFHSCVCL-QGZVFWFLSA-N 2 1 328.460 2.431 50 0 EEAAMP Cn1cc(C[N@@H+](C)Cc2cccc(OC[C@@H]3CCC[NH2+]C3)c2)cn1 ZINC000299796161 258100183 /nfs/dbraw/zinc/10/01/83/258100183.db2.gz PSSAKBAFHSCVCL-QGZVFWFLSA-N 2 1 328.460 2.431 50 0 EEAAMP COCC[N@H+](C)C[C@H]1C[C@H](CO)C[NH+](Cc2ccc3occc3c2)C1 ZINC000091817836 462908893 /nfs/dbraw/zinc/90/88/93/462908893.db2.gz UMTQJSMBMJAHDW-MSOLQXFVSA-N 2 1 346.471 2.441 50 0 EEAAMP COCC[N@@H+](C)C[C@H]1C[C@H](CO)C[NH+](Cc2ccc3occc3c2)C1 ZINC000091817836 462908900 /nfs/dbraw/zinc/90/89/00/462908900.db2.gz UMTQJSMBMJAHDW-MSOLQXFVSA-N 2 1 346.471 2.441 50 0 EEAAMP COCC[NH+](C)C[C@H]1C[C@H](CO)C[N@H+](Cc2ccc3occc3c2)C1 ZINC000091817836 462908906 /nfs/dbraw/zinc/90/89/06/462908906.db2.gz UMTQJSMBMJAHDW-MSOLQXFVSA-N 2 1 346.471 2.441 50 0 EEAAMP COCC[NH+](C)C[C@H]1C[C@H](CO)C[N@@H+](Cc2ccc3occc3c2)C1 ZINC000091817836 462908911 /nfs/dbraw/zinc/90/89/11/462908911.db2.gz UMTQJSMBMJAHDW-MSOLQXFVSA-N 2 1 346.471 2.441 50 0 EEAAMP CC(C)C[NH+]1CCC([NH2+]CCn2ncc3ccccc3c2=O)CC1 ZINC000067846990 463058009 /nfs/dbraw/zinc/05/80/09/463058009.db2.gz YQFLYBMGWPKGPD-UHFFFAOYSA-N 2 1 328.460 2.107 50 0 EEAAMP CN(C)[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000219049601 464109949 /nfs/dbraw/zinc/10/99/49/464109949.db2.gz NTYFTHDVRRLPFE-PLACYPQZSA-N 2 1 343.515 2.001 50 0 EEAAMP CN(Cc1ccccc1C[NH+]1CCCC1)C(=O)N[C@H]1CC[N@@H+](C)C1 ZINC000584895659 468958891 /nfs/dbraw/zinc/95/88/91/468958891.db2.gz IEDHVSFWIZTRMP-SFHVURJKSA-N 2 1 330.476 2.128 50 0 EEAAMP CN(C)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000015064111 1226503167 /nfs/dbraw/zinc/50/31/67/1226503167.db2.gz VVEWYOXMUVIVSP-LJQANCHMSA-N 2 1 343.515 2.494 50 0 EEAAMP CN(C)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000015064111 1226503175 /nfs/dbraw/zinc/50/31/75/1226503175.db2.gz VVEWYOXMUVIVSP-LJQANCHMSA-N 2 1 343.515 2.494 50 0 EEAAMP Cn1cc([C@@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)[C@H]2C[C@H](O)C2)cn1 ZINC000222985666 282667203 /nfs/dbraw/zinc/66/72/03/282667203.db2.gz QIWKZJIJEPPETA-KYNGSXCRSA-N 2 1 332.492 2.229 50 0 EEAAMP CCC[N@H+]1CC2(C[C@H]1C(=O)N(C)Cc1cccnc1)CC[NH+](C)CC2 ZINC000072407995 203215640 /nfs/dbraw/zinc/21/56/40/203215640.db2.gz XWYPOLFBSRSGGA-SFHVURJKSA-N 2 1 344.503 2.236 50 0 EEAAMP CCc1[nH+]ccn1CCC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000299761520 258078710 /nfs/dbraw/zinc/07/87/10/258078710.db2.gz UFFAHGRUESDCJI-UHFFFAOYSA-N 2 1 341.459 2.011 50 0 EEAAMP [NH3+][C@H]1C[C@@H](c2nnc(C[N@@H+]3CCCC4(CCOCC4)C3)n2C2CC2)C1 ZINC000219065180 295343205 /nfs/dbraw/zinc/34/32/05/295343205.db2.gz DXJJCXNCBQWOIY-SHTZXODSSA-N 2 1 345.491 2.210 50 0 EEAAMP [NH3+][C@H]1C[C@@H](c2nnc(C[N@H+]3CCCC4(CCOCC4)C3)n2C2CC2)C1 ZINC000219065180 295343207 /nfs/dbraw/zinc/34/32/07/295343207.db2.gz DXJJCXNCBQWOIY-SHTZXODSSA-N 2 1 345.491 2.210 50 0 EEAAMP CN(C[C@H]1CCC[N@@H+](CCc2ccccc2F)C1)C(=O)C[NH+](C)C ZINC000011769789 462840156 /nfs/dbraw/zinc/84/01/56/462840156.db2.gz HSNWONWOICLKEF-MRXNPFEDSA-N 2 1 335.467 2.100 50 0 EEAAMP CN(Cc1ccccc1C[NH+](C)C)c1cc([C@@H]2CCOC2)[nH+]c(N)n1 ZINC000426534130 467143270 /nfs/dbraw/zinc/14/32/70/467143270.db2.gz XCBUBDCQZKZNBI-MRXNPFEDSA-N 2 1 341.459 2.261 50 0 EEAAMP COc1cccc(N2CCC([N@H+]3CCO[C@@H](CC[NH+](C)C)C3)CC2)c1 ZINC000019885298 683517922 /nfs/dbraw/zinc/51/79/22/683517922.db2.gz XNJMIYXGHSOBNH-FQEVSTJZSA-N 2 1 347.503 2.317 50 0 EEAAMP Cc1cc(C)c(C[N@H+]2CCOC3(CC[NH2+]CC3)C2)c(-n2cccn2)c1 ZINC000825124464 800315015 /nfs/dbraw/zinc/31/50/15/800315015.db2.gz FEVHXTNMGXCXQQ-UHFFFAOYSA-N 2 1 340.471 2.444 50 0 EEAAMP C[NH+](C)C[C@]1(O)CCC[N@@H+](Cc2cc(-c3ccccn3)no2)CC1 ZINC000072128836 216019387 /nfs/dbraw/zinc/01/93/87/216019387.db2.gz FWCOGZBAHOCPKS-SFHVURJKSA-N 2 1 330.432 2.015 50 0 EEAAMP Cc1[nH+]ccn1CCC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000299796283 258100213 /nfs/dbraw/zinc/10/02/13/258100213.db2.gz OJRJODAYFSQJEY-SFHVURJKSA-N 2 1 326.444 2.220 50 0 EEAAMP Cc1[nH+]ccn1CCC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000299796283 258100214 /nfs/dbraw/zinc/10/02/14/258100214.db2.gz OJRJODAYFSQJEY-SFHVURJKSA-N 2 1 326.444 2.220 50 0 EEAAMP [NH3+][C@H]1CCN(C(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)o2)C1 ZINC000534643527 468269613 /nfs/dbraw/zinc/26/96/13/468269613.db2.gz ABRPJNSBFNAGMJ-INIZCTEOSA-N 2 1 325.412 2.011 50 0 EEAAMP [NH3+][C@H]1CCN(C(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)o2)C1 ZINC000534643527 468269620 /nfs/dbraw/zinc/26/96/20/468269620.db2.gz ABRPJNSBFNAGMJ-INIZCTEOSA-N 2 1 325.412 2.011 50 0 EEAAMP C[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)N3CCc4sccc4C3)C2)CC1 ZINC000071775936 463424367 /nfs/dbraw/zinc/42/43/67/463424367.db2.gz TZUKEUDGIHAKJB-INIZCTEOSA-N 2 1 347.528 2.439 50 0 EEAAMP C[NH+]1CCC([N@H+]2CCC[C@H](C(=O)N3CCc4sccc4C3)C2)CC1 ZINC000071775936 463424371 /nfs/dbraw/zinc/42/43/71/463424371.db2.gz TZUKEUDGIHAKJB-INIZCTEOSA-N 2 1 347.528 2.439 50 0 EEAAMP CN1CCC([N@@H+]2CCCN(C(=O)c3ccc(F)cc3F)CC2)CC1 ZINC001772810505 1410370757 /nfs/dbraw/zinc/37/07/57/1410370757.db2.gz IZCADFJFDGQNLJ-UHFFFAOYSA-N 2 1 337.414 2.207 50 0 EEAAMP CN1CCC([N@H+]2CCCN(C(=O)c3ccc(F)cc3F)CC2)CC1 ZINC001772810505 1410370764 /nfs/dbraw/zinc/37/07/64/1410370764.db2.gz IZCADFJFDGQNLJ-UHFFFAOYSA-N 2 1 337.414 2.207 50 0 EEAAMP CSCC[NH+]1CCC([NH2+][C@H]2CCC(=O)N(CC3CC3)CC2)CC1 ZINC001506421370 1114602115 /nfs/dbraw/zinc/60/21/15/1114602115.db2.gz HTWDAWIZQOZOMO-INIZCTEOSA-N 2 1 339.549 2.195 50 0 EEAAMP C=Cc1cccc(C[N@H+]2CC[C@H](CNC(=O)C3CC[NH2+]CC3)C2)c1 ZINC000067871930 215236510 /nfs/dbraw/zinc/23/65/10/215236510.db2.gz WRORRNQJCMGTPD-GOSISDBHSA-N 2 1 327.472 2.267 50 0 EEAAMP COCc1nc(NCCNc2[nH+]cccc2C)cc([C@H]2C[C@@H]([NH3+])C2)n1 ZINC000244594230 243040907 /nfs/dbraw/zinc/04/09/07/243040907.db2.gz DITBGFARFOLXLL-OKILXGFUSA-N 2 1 342.447 2.055 50 0 EEAAMP CC[N@H+]1C[C@@H](c2ccccc2)CC2(CC[NH+](CCC(N)=O)CC2)C1 ZINC000091551052 218021857 /nfs/dbraw/zinc/02/18/57/218021857.db2.gz FKGKOSROZVZLOW-SFHVURJKSA-N 2 1 329.488 2.453 50 0 EEAAMP O=C1NCC2(CC[NH+](C[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)O1 ZINC000299792534 258097831 /nfs/dbraw/zinc/09/78/31/258097831.db2.gz FXMWELCZPHXASH-QGZVFWFLSA-N 2 1 329.444 2.083 50 0 EEAAMP CCC[N@H+]1CC2(C[C@H]1C(=O)NCc1ccccc1)CC[NH+](C)CC2 ZINC000072430607 216223782 /nfs/dbraw/zinc/22/37/82/216223782.db2.gz PJIOIIVUVCNCLW-SFHVURJKSA-N 2 1 329.488 2.499 50 0 EEAAMP Cc1ccsc1C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](CCO)C1 ZINC000020539294 212146127 /nfs/dbraw/zinc/14/61/27/212146127.db2.gz IPQYDJIMUGPGOM-KRWDZBQOSA-N 2 1 337.533 2.019 50 0 EEAAMP CC(C)([NH3+])C(=O)N1C[C@@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095376775 218309164 /nfs/dbraw/zinc/30/91/64/218309164.db2.gz NNGWHCZSNGFKDH-GVDBMIGSSA-N 2 1 349.425 2.091 50 0 EEAAMP [NH3+]CCCOc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000299797827 258101955 /nfs/dbraw/zinc/10/19/55/258101955.db2.gz PIOYAQPXUWKRGP-UHFFFAOYSA-N 2 1 326.444 2.131 50 0 EEAAMP COc1ccc2cc(C[N@@H+](C)C[C@@H]3CCC[NH+](C)C3)c(=O)[nH]c2c1 ZINC000067712694 215191424 /nfs/dbraw/zinc/19/14/24/215191424.db2.gz IQPTYOSEVXSWAU-CQSZACIVSA-N 2 1 329.444 2.310 50 0 EEAAMP COc1ccc2cc(C[NH+](C)C[C@@H]3CCC[N@H+](C)C3)c(=O)[nH]c2c1 ZINC000067712694 215191429 /nfs/dbraw/zinc/19/14/29/215191429.db2.gz IQPTYOSEVXSWAU-CQSZACIVSA-N 2 1 329.444 2.310 50 0 EEAAMP COc1ccc2cc(C[NH+](C)C[C@@H]3CCC[N@@H+](C)C3)c(=O)[nH]c2c1 ZINC000067712694 215191432 /nfs/dbraw/zinc/19/14/32/215191432.db2.gz IQPTYOSEVXSWAU-CQSZACIVSA-N 2 1 329.444 2.310 50 0 EEAAMP COc1ccc(OC[C@@H](O)C[NH+](C)C)c(C[NH2+]Cc2ccc(C)o2)c1 ZINC000012430082 211377843 /nfs/dbraw/zinc/37/78/43/211377843.db2.gz KFKFPXHNANDHGA-INIZCTEOSA-N 2 1 348.443 2.188 50 0 EEAAMP C[NH+](C)CC[C@@H]1C[N@H+](Cc2ccc(Cn3cccn3)cc2)CCO1 ZINC000012301368 800876688 /nfs/dbraw/zinc/87/66/88/800876688.db2.gz SLCMSJPCLSUTCX-LJQANCHMSA-N 2 1 328.460 2.084 50 0 EEAAMP C[NH+](C)CC[C@@H]1C[N@@H+](Cc2ccc(Cn3cccn3)cc2)CCO1 ZINC000012301368 800876696 /nfs/dbraw/zinc/87/66/96/800876696.db2.gz SLCMSJPCLSUTCX-LJQANCHMSA-N 2 1 328.460 2.084 50 0 EEAAMP Cc1ccc2ccccc2c1C[NH+]1C[C@H](CO)[C@H](C[N@@H+](C)CCO)C1 ZINC000091793786 218067467 /nfs/dbraw/zinc/06/74/67/218067467.db2.gz SEASIHAWRMKMGF-RTBURBONSA-N 2 1 342.483 2.113 50 0 EEAAMP Cc1ccc2ccccc2c1C[N@@H+]1C[C@H](CO)[C@H](C[NH+](C)CCO)C1 ZINC000091793786 218067470 /nfs/dbraw/zinc/06/74/70/218067470.db2.gz SEASIHAWRMKMGF-RTBURBONSA-N 2 1 342.483 2.113 50 0 EEAAMP Cc1ccc2ccccc2c1C[N@H+]1C[C@H](CO)[C@H](C[NH+](C)CCO)C1 ZINC000091793786 218067471 /nfs/dbraw/zinc/06/74/71/218067471.db2.gz SEASIHAWRMKMGF-RTBURBONSA-N 2 1 342.483 2.113 50 0 EEAAMP [NH3+]CCc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3CC2CCC2)c1 ZINC000092046426 218111030 /nfs/dbraw/zinc/11/10/30/218111030.db2.gz LTBZQTYEBPTFBG-VQTJNVASSA-N 2 1 341.499 2.411 50 0 EEAAMP CCc1c(C)nn(CC[NH2+]C[C@]2(O)CCC[N@H+]3CCCC[C@@H]32)c1C ZINC000063847599 462677338 /nfs/dbraw/zinc/67/73/38/462677338.db2.gz JLNNPWAWQNEPRD-RTBURBONSA-N 2 1 334.508 2.031 50 0 EEAAMP CC(=O)c1ccccc1NC(=O)CC[N@@H+](C)C[C@]1(C)CC[NH+](C)C1 ZINC000065453246 462773786 /nfs/dbraw/zinc/77/37/86/462773786.db2.gz YCKXZRKHYSCBMJ-IBGZPJMESA-N 2 1 331.460 2.491 50 0 EEAAMP CC(=O)c1ccccc1NC(=O)CC[N@H+](C)C[C@]1(C)CC[NH+](C)C1 ZINC000065453246 462773790 /nfs/dbraw/zinc/77/37/90/462773790.db2.gz YCKXZRKHYSCBMJ-IBGZPJMESA-N 2 1 331.460 2.491 50 0 EEAAMP CC(=O)c1ccccc1NC(=O)CC[NH+](C)C[C@]1(C)CC[N@H+](C)C1 ZINC000065453246 462773797 /nfs/dbraw/zinc/77/37/97/462773797.db2.gz YCKXZRKHYSCBMJ-IBGZPJMESA-N 2 1 331.460 2.491 50 0 EEAAMP CC(=O)c1ccccc1NC(=O)CC[NH+](C)C[C@]1(C)CC[N@@H+](C)C1 ZINC000065453246 462773798 /nfs/dbraw/zinc/77/37/98/462773798.db2.gz YCKXZRKHYSCBMJ-IBGZPJMESA-N 2 1 331.460 2.491 50 0 EEAAMP O[C@@]1(C[NH+]2CCCC2)CCC[N@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000077353659 462971905 /nfs/dbraw/zinc/97/19/05/462971905.db2.gz VURDUIAQQBUVCR-HXUWFJFHSA-N 2 1 340.471 2.295 50 0 EEAAMP O[C@@]1(C[NH+]2CCCC2)CCC[N@@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000077353659 462971908 /nfs/dbraw/zinc/97/19/08/462971908.db2.gz VURDUIAQQBUVCR-HXUWFJFHSA-N 2 1 340.471 2.295 50 0 EEAAMP Cc1ccc(C)c(OC[C@H](O)C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c1C ZINC000585136873 468987791 /nfs/dbraw/zinc/98/77/91/468987791.db2.gz WQWKWLGBENXBOE-CEXWTWQISA-N 2 1 332.488 2.235 50 0 EEAAMP Cc1ccc(C)c(OC[C@H](O)C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1C ZINC000585136873 468987794 /nfs/dbraw/zinc/98/77/94/468987794.db2.gz WQWKWLGBENXBOE-CEXWTWQISA-N 2 1 332.488 2.235 50 0 EEAAMP Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1C ZINC000585136873 468987797 /nfs/dbraw/zinc/98/77/97/468987797.db2.gz WQWKWLGBENXBOE-CEXWTWQISA-N 2 1 332.488 2.235 50 0 EEAAMP CCOc1ccc(C[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)cc1C[NH2+]C ZINC000072431706 216225882 /nfs/dbraw/zinc/22/58/82/216225882.db2.gz CQKJWVPKVNFLHU-RBUKOAKNSA-N 2 1 348.487 2.227 50 0 EEAAMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@]2(CCC(=O)N(C3CC3)C2)C1 ZINC000077470285 462990423 /nfs/dbraw/zinc/99/04/23/462990423.db2.gz IUYASXZPCOZJLI-IBGZPJMESA-N 2 1 330.476 2.449 50 0 EEAAMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@]2(CCC(=O)N(C3CC3)C2)C1 ZINC000077470285 462990425 /nfs/dbraw/zinc/99/04/25/462990425.db2.gz IUYASXZPCOZJLI-IBGZPJMESA-N 2 1 330.476 2.449 50 0 EEAAMP Cc1c[nH+]ccc1N1CCC[N@@H+](CC(C)(C)N2CCOCC2)CC1 ZINC000077506100 462996726 /nfs/dbraw/zinc/99/67/26/462996726.db2.gz NZJLJCOBVYSONR-UHFFFAOYSA-N 2 1 332.492 2.013 50 0 EEAAMP CCC[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)C1 ZINC000584893091 468958009 /nfs/dbraw/zinc/95/80/09/468958009.db2.gz VQUNWPJCJMVIFE-LJQANCHMSA-N 2 1 344.503 2.307 50 0 EEAAMP CCC[N@H+]1CC[C@@H](NC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)C1 ZINC000584893091 468958011 /nfs/dbraw/zinc/95/80/11/468958011.db2.gz VQUNWPJCJMVIFE-LJQANCHMSA-N 2 1 344.503 2.307 50 0 EEAAMP Cc1cc(C)c(C[N@@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])cc1Cn1cncn1 ZINC000426477487 241295095 /nfs/dbraw/zinc/29/50/95/241295095.db2.gz ATYYADOJBUNFOP-HGKCTWBKSA-N 2 1 325.460 2.112 50 0 EEAAMP Cc1[nH+]ccn1Cc1nnc([C@H]2CCC[N@@H+](C3CCCC3)C2)n1C ZINC000095371359 218303647 /nfs/dbraw/zinc/30/36/47/218303647.db2.gz CCHQOIGCNMEBBS-HNNXBMFYSA-N 2 1 328.464 2.490 50 0 EEAAMP Cc1[nH+]ccn1Cc1nnc([C@H]2CCC[N@H+](C3CCCC3)C2)n1C ZINC000095371359 218303648 /nfs/dbraw/zinc/30/36/48/218303648.db2.gz CCHQOIGCNMEBBS-HNNXBMFYSA-N 2 1 328.464 2.490 50 0 EEAAMP COc1ccc2[nH]c(C[N@@H+]3CCOC4(CC[NH2+]CC4)C3)c(C)c2c1 ZINC000824757913 800288529 /nfs/dbraw/zinc/28/85/29/800288529.db2.gz WTHABLHWMOESJP-UHFFFAOYSA-N 2 1 329.444 2.439 50 0 EEAAMP COc1ccc2[nH]c(C[N@H+]3CCOC4(CC[NH2+]CC4)C3)c(C)c2c1 ZINC000824757913 800288541 /nfs/dbraw/zinc/28/85/41/800288541.db2.gz WTHABLHWMOESJP-UHFFFAOYSA-N 2 1 329.444 2.439 50 0 EEAAMP CNC(=O)C[NH+]1CCC2(CC1)C[C@H](c1ccccc1)C[N@H+](C1CC1)C2 ZINC000095353937 218288773 /nfs/dbraw/zinc/28/87/73/218288773.db2.gz HWEAYAAHUJUUQP-SFHVURJKSA-N 2 1 341.499 2.467 50 0 EEAAMP O[C@@]1(C[NH2+]CCC(c2ccccc2)c2ccccc2)C[NH2+]CCOC1 ZINC000077505773 462997207 /nfs/dbraw/zinc/99/72/07/462997207.db2.gz SUPVXCSXOJCOHD-NRFANRHFSA-N 2 1 340.467 2.149 50 0 EEAAMP CC[N@@H+](C)Cc1ccc(OC)c(OC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000095508657 463099102 /nfs/dbraw/zinc/09/91/02/463099102.db2.gz KFPYJFJXQOLASJ-KRWDZBQOSA-N 2 1 336.476 2.373 50 0 EEAAMP Cc1ccccc1CC[NH+]1CCC[C@@H](C[N@@H+](C)CCn2cnnc2)C1 ZINC000095529531 463105888 /nfs/dbraw/zinc/10/58/88/463105888.db2.gz CFKLYILLCABKBV-IBGZPJMESA-N 2 1 341.503 2.473 50 0 EEAAMP Cc1ccccc1CC[N@H+]1CCC[C@@H](C[NH+](C)CCn2cnnc2)C1 ZINC000095529531 463105893 /nfs/dbraw/zinc/10/58/93/463105893.db2.gz CFKLYILLCABKBV-IBGZPJMESA-N 2 1 341.503 2.473 50 0 EEAAMP Cc1ccccc1CC[N@@H+]1CCC[C@@H](C[NH+](C)CCn2cnnc2)C1 ZINC000095529531 463105897 /nfs/dbraw/zinc/10/58/97/463105897.db2.gz CFKLYILLCABKBV-IBGZPJMESA-N 2 1 341.503 2.473 50 0 EEAAMP CCc1[nH+]ccn1CCC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000952968166 796131714 /nfs/dbraw/zinc/13/17/14/796131714.db2.gz KHOFLSPSSYOOMS-UHFFFAOYSA-N 2 1 341.459 2.263 50 0 EEAAMP CCc1cc(NCCC[N@H+]2CCC[C@@H](CO)C2)nc(N2CCCC2)[nH+]1 ZINC001506415363 1114600345 /nfs/dbraw/zinc/60/03/45/1114600345.db2.gz WZCNAHAMYKZCJZ-MRXNPFEDSA-N 2 1 347.507 2.146 50 0 EEAAMP CC(C)[NH+]1CCC(C[N@H+]2CCN(Cc3ccco3)[C@H](CCO)C2)CC1 ZINC000055280896 214300446 /nfs/dbraw/zinc/30/04/46/214300446.db2.gz XDILVTJSHQXKPC-LJQANCHMSA-N 2 1 349.519 2.269 50 0 EEAAMP O=C(CC1=CC[NH2+]CC1)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000067673776 215179525 /nfs/dbraw/zinc/17/95/25/215179525.db2.gz LAZXAQRLANRYGV-INIZCTEOSA-N 2 1 333.501 2.386 50 0 EEAAMP CC(C)[NH+]1CCC(CC(=O)N2CC[NH+](CCn3cccc3)CC2)CC1 ZINC000095356447 218290451 /nfs/dbraw/zinc/29/04/51/218290451.db2.gz ACUIHEZIISIYLY-UHFFFAOYSA-N 2 1 346.519 2.143 50 0 EEAAMP Cc1ccc([C@H](C(=O)N2CCN(c3cc[nH+]cc3)CC2)[NH+](C)C)cc1 ZINC000095378056 218311486 /nfs/dbraw/zinc/31/14/86/218311486.db2.gz MKQVPXRHGVPJFB-LJQANCHMSA-N 2 1 338.455 2.342 50 0 EEAAMP Cc1ccc(C)c(-c2n[nH]cc2C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000097243893 219004260 /nfs/dbraw/zinc/00/42/60/219004260.db2.gz DICINTIOMJWEMF-SFHVURJKSA-N 2 1 339.487 2.173 50 0 EEAAMP CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)C[NH2+]CCO3)C1 ZINC000299800833 258104240 /nfs/dbraw/zinc/10/42/40/258104240.db2.gz VXFZDJPPPYJXII-QGZVFWFLSA-N 2 1 345.487 2.249 50 0 EEAAMP Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)N3CCC(C)CC3)C2)[nH+]1 ZINC000097200846 463345243 /nfs/dbraw/zinc/34/52/43/463345243.db2.gz AQKZWUCKRUGURH-QGZVFWFLSA-N 2 1 330.476 2.382 50 0 EEAAMP COC[C@@H]1[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)[C@@H]2CCO[C@H]12 ZINC000218817972 464109973 /nfs/dbraw/zinc/10/99/73/464109973.db2.gz OHNQKZYMOXOLEX-NMLBUPMWSA-N 2 1 330.472 2.291 50 0 EEAAMP Cc1ccc(C[N@H+]2CC[C@H](CNC(=O)C3CC[NH2+]CC3)C2)c(C)c1F ZINC000067919737 215249540 /nfs/dbraw/zinc/24/95/40/215249540.db2.gz RCLKHMQQDVKDDK-MRXNPFEDSA-N 2 1 347.478 2.380 50 0 EEAAMP CCOc1cccc(C[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CC[NH2+]C)C2)c1 ZINC000072476808 216254748 /nfs/dbraw/zinc/25/47/48/216254748.db2.gz CVTZTPMOURZULJ-PKOBYXMFSA-N 2 1 345.487 2.118 50 0 EEAAMP COc1nccnc1N1CCC[C@@H](c2[nH+]ccn2CCC[NH+](C)C)C1 ZINC000095496958 463094545 /nfs/dbraw/zinc/09/45/45/463094545.db2.gz LMPAOFAGHRBWRX-OAHLLOKOSA-N 2 1 344.463 2.017 50 0 EEAAMP O[C@@H](COc1ccccc1C[N@H+]1CCCOCC1)C[NH+]1CCCCC1 ZINC000095516540 463100597 /nfs/dbraw/zinc/10/05/97/463100597.db2.gz NWHNJAZSVVZNPV-LJQANCHMSA-N 2 1 348.487 2.135 50 0 EEAAMP C[NH+](C)CC(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000170775086 463704594 /nfs/dbraw/zinc/70/45/94/463704594.db2.gz QRXCBAFXZPNQJA-UHFFFAOYSA-N 2 1 332.448 2.001 50 0 EEAAMP C[NH+]1CCC(N2CC[N@@H+](CCCC3CCCC3)C[C@H]2CCO)CC1 ZINC000828747012 800819379 /nfs/dbraw/zinc/81/93/79/800819379.db2.gz AKLCISJVBANJGR-HXUWFJFHSA-N 2 1 337.552 2.420 50 0 EEAAMP COCC[N@@H+]1CCC[C@]2(CCN(c3nc(N(C)C)[nH+]c(C)c3C)C2)C1 ZINC000072149388 216036736 /nfs/dbraw/zinc/03/67/36/216036736.db2.gz MZGLTNQQAFPGJS-IBGZPJMESA-N 2 1 347.507 2.098 50 0 EEAAMP COCC[N@H+]1CCC[C@]2(CCN(c3nc(N(C)C)[nH+]c(C)c3C)C2)C1 ZINC000072149388 216036738 /nfs/dbraw/zinc/03/67/38/216036738.db2.gz MZGLTNQQAFPGJS-IBGZPJMESA-N 2 1 347.507 2.098 50 0 EEAAMP CCC[N@H+]1CC2(C[C@@H]1C(=O)NCc1ccccc1)CC[NH+](C)CC2 ZINC000072430606 216223719 /nfs/dbraw/zinc/22/37/19/216223719.db2.gz PJIOIIVUVCNCLW-GOSISDBHSA-N 2 1 329.488 2.499 50 0 EEAAMP OCC[C@H]1CCCC[N@@H+]1CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000244788103 243082207 /nfs/dbraw/zinc/08/22/07/243082207.db2.gz QJKDFGIAOZQXNR-HXUWFJFHSA-N 2 1 331.504 2.041 50 0 EEAAMP OCC[C@H]1CCCC[N@H+]1CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000244788103 243082214 /nfs/dbraw/zinc/08/22/14/243082214.db2.gz QJKDFGIAOZQXNR-HXUWFJFHSA-N 2 1 331.504 2.041 50 0 EEAAMP O[C@]12CC[NH2+]C[C@H]1C[N@H+](C1CCN(c3ccc(Cl)cc3)CC1)CC2 ZINC000091551386 218021904 /nfs/dbraw/zinc/02/19/04/218021904.db2.gz GFLVOZZUZNUPJJ-KXBFYZLASA-N 2 1 349.906 2.355 50 0 EEAAMP CCc1[nH+]ccn1C[C@@H](C)[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC000584889856 468956910 /nfs/dbraw/zinc/95/69/10/468956910.db2.gz ISSVEZUNAHFWQM-MRXNPFEDSA-N 2 1 327.476 2.483 50 0 EEAAMP CN(C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1)C(C1CC1)C1CC1 ZINC000015075372 1226512453 /nfs/dbraw/zinc/51/24/53/1226512453.db2.gz LVJJMNWYBWWTAY-QGZVFWFLSA-N 2 1 333.520 2.440 50 0 EEAAMP CN(C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1)C(C1CC1)C1CC1 ZINC000015075372 1226512457 /nfs/dbraw/zinc/51/24/57/1226512457.db2.gz LVJJMNWYBWWTAY-QGZVFWFLSA-N 2 1 333.520 2.440 50 0 EEAAMP COCC[N@@H+](C)C[C@@H]1CN(c2cc(C)[nH+]c3ccccc32)C[C@@H]1CO ZINC000092038304 218108383 /nfs/dbraw/zinc/10/83/83/218108383.db2.gz CAYCMYQENZQTNZ-IAGOWNOFSA-N 2 1 343.471 2.166 50 0 EEAAMP C[N@H+]1CCCN(C(=O)[C@H]2C[C@@H](c3ccccc3)[NH+]3CCC[C@H]23)CC1 ZINC000299777047 258087022 /nfs/dbraw/zinc/08/70/22/258087022.db2.gz HZGJLTDJNHUSAT-OTWHNJEPSA-N 2 1 327.472 2.376 50 0 EEAAMP C[NH+]1CCCN(C(=O)[C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)CC1 ZINC000299777047 258087023 /nfs/dbraw/zinc/08/70/23/258087023.db2.gz HZGJLTDJNHUSAT-OTWHNJEPSA-N 2 1 327.472 2.376 50 0 EEAAMP C[NH+]1CCCN(C(=O)[C@H]2C[C@@H](c3ccccc3)[N@H+]3CCC[C@H]23)CC1 ZINC000299777047 258087024 /nfs/dbraw/zinc/08/70/24/258087024.db2.gz HZGJLTDJNHUSAT-OTWHNJEPSA-N 2 1 327.472 2.376 50 0 EEAAMP O=C1CC[N@H+](Cc2cccc(Cl)c2)CCN1CC[NH+]1CCCC1 ZINC000299779912 258088876 /nfs/dbraw/zinc/08/88/76/258088876.db2.gz HBXOKKBJDKOIRS-UHFFFAOYSA-N 2 1 335.879 2.470 50 0 EEAAMP O=C1CC[N@@H+](Cc2cccc(Cl)c2)CCN1CC[NH+]1CCCC1 ZINC000299779912 258088877 /nfs/dbraw/zinc/08/88/77/258088877.db2.gz HBXOKKBJDKOIRS-UHFFFAOYSA-N 2 1 335.879 2.470 50 0 EEAAMP C[NH+]1CCC([NH2+][C@H]2CC(=O)N(CCc3cccc(Cl)c3)C2)CC1 ZINC000014972329 462937155 /nfs/dbraw/zinc/93/71/55/462937155.db2.gz RJXMZKWFXSVEMS-KRWDZBQOSA-N 2 1 335.879 2.167 50 0 EEAAMP CC(C)[N@H+]1CCN(C2CC[NH+](Cc3ccccc3)CC2)C[C@H]1CCO ZINC000104631100 463417485 /nfs/dbraw/zinc/41/74/85/463417485.db2.gz WREKYLGYGWVVRH-OAQYLSRUSA-N 2 1 345.531 2.428 50 0 EEAAMP C[N@H+]1CC[C@](C)(C(=O)NCC2(c3ccccc3)CC[NH+](C)CC2)C1 ZINC000584886508 468954983 /nfs/dbraw/zinc/95/49/83/468954983.db2.gz ZXJHCRFHBFFJQJ-IBGZPJMESA-N 2 1 329.488 2.108 50 0 EEAAMP COc1ccc(C[NH2+]CC[C@]2(O)C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1OC ZINC000004539323 210215952 /nfs/dbraw/zinc/21/59/52/210215952.db2.gz XHIDEXZXYXIKAG-CLCXKQKWSA-N 2 1 336.476 2.275 50 0 EEAAMP CN1C[C@]2(CCC[N@@H+](Cc3cccc(OCC[NH+](C)C)c3)C2)OC1=O ZINC000072429281 216220904 /nfs/dbraw/zinc/22/09/04/216220904.db2.gz AEDTYMNXAWEGJO-IBGZPJMESA-N 2 1 347.459 2.044 50 0 EEAAMP CC[N@H+](Cc1cnn(C)c1)C[C@H]1CC[C@@H](Cc2cccc(C[NH3+])c2)O1 ZINC000072459113 216244514 /nfs/dbraw/zinc/24/45/14/216244514.db2.gz BUKXBDSQRSDWLJ-VQTJNVASSA-N 2 1 342.487 2.491 50 0 EEAAMP Cn1cc(C[N@H+](C)Cc2cccc(OC[C@H]3CCC[NH2+]C3)c2)cn1 ZINC000299796147 258100238 /nfs/dbraw/zinc/10/02/38/258100238.db2.gz PSSAKBAFHSCVCL-KRWDZBQOSA-N 2 1 328.460 2.431 50 0 EEAAMP Cn1cc(C[N@@H+](C)Cc2cccc(OC[C@H]3CCC[NH2+]C3)c2)cn1 ZINC000299796147 258100239 /nfs/dbraw/zinc/10/02/39/258100239.db2.gz PSSAKBAFHSCVCL-KRWDZBQOSA-N 2 1 328.460 2.431 50 0 EEAAMP C[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)NC3Cc4ccccc4C3)C2)CC1 ZINC000071712030 463418929 /nfs/dbraw/zinc/41/89/29/463418929.db2.gz ZJMAHTRZCPVMRK-GOSISDBHSA-N 2 1 341.499 2.076 50 0 EEAAMP C[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)NC3Cc4ccccc4C3)C2)CC1 ZINC000071712030 463418933 /nfs/dbraw/zinc/41/89/33/463418933.db2.gz ZJMAHTRZCPVMRK-GOSISDBHSA-N 2 1 341.499 2.076 50 0 EEAAMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N(C)C3CC[NH2+]CC3)cc2)C[C@H](C)O1 ZINC000125387530 463538849 /nfs/dbraw/zinc/53/88/49/463538849.db2.gz PCGKPCAFDBMXAQ-IYBDPMFKSA-N 2 1 345.487 2.120 50 0 EEAAMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)N(C)C3CC[NH2+]CC3)cc2)C[C@H](C)O1 ZINC000125387530 463538854 /nfs/dbraw/zinc/53/88/54/463538854.db2.gz PCGKPCAFDBMXAQ-IYBDPMFKSA-N 2 1 345.487 2.120 50 0 EEAAMP Cn1c(C[NH2+]Cc2ccc3c(c2)CCCC3)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000252527718 464979657 /nfs/dbraw/zinc/97/96/57/464979657.db2.gz DEUNAIAMCBYYLI-QAQDUYKDSA-N 2 1 325.460 2.188 50 0 EEAAMP CN(Cc1ccccc1C[NH+]1CCCC1)C(=O)N[C@@H]1CC[N@@H+](C)C1 ZINC000584895658 468958934 /nfs/dbraw/zinc/95/89/34/468958934.db2.gz IEDHVSFWIZTRMP-GOSISDBHSA-N 2 1 330.476 2.128 50 0 EEAAMP CCc1cc(N2CC[NH+](C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC2)ncn1 ZINC000072169199 1370313240 /nfs/dbraw/zinc/31/32/40/1370313240.db2.gz DKQQDEQPUSHLCT-PKOBYXMFSA-N 2 1 343.519 2.426 50 0 EEAAMP CCc1cc(N2CC[NH+](C[C@@H]3CCC[N@H+]4CCCC[C@H]34)CC2)ncn1 ZINC000072169199 1370313244 /nfs/dbraw/zinc/31/32/44/1370313244.db2.gz DKQQDEQPUSHLCT-PKOBYXMFSA-N 2 1 343.519 2.426 50 0 EEAAMP COCC[N@H+]1CC[C@@H](C(=O)Nc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000824412345 800265422 /nfs/dbraw/zinc/26/54/22/800265422.db2.gz GTKYPRPJXOPFND-QGZVFWFLSA-N 2 1 331.460 2.189 50 0 EEAAMP CCC[N@H+]1CC2(C[C@@H]1C(=O)NCc1cc(C)ccn1)CC[NH+](C)CC2 ZINC000072428202 216219488 /nfs/dbraw/zinc/21/94/88/216219488.db2.gz ABJNYKCBYWGHPJ-GOSISDBHSA-N 2 1 344.503 2.203 50 0 EEAAMP CCC[N@H+]1CC2(C[C@H]1C(=O)NCc1cc(CC)no1)CC[NH+](C)CC2 ZINC000072431295 216223478 /nfs/dbraw/zinc/22/34/78/216223478.db2.gz MMJRUESIDULFOU-KRWDZBQOSA-N 2 1 348.491 2.050 50 0 EEAAMP CC(C)C[NH+]1CCC([NH2+][C@@H]2COCC[C@H]2Oc2ccccn2)CC1 ZINC000222666883 464131513 /nfs/dbraw/zinc/13/15/13/464131513.db2.gz OBWUITREQNOJTO-QZTJIDSGSA-N 2 1 333.476 2.328 50 0 EEAAMP CCc1ccc2[nH+]c(NCCC[NH+](CCO)CCO)cc(C)c2c1 ZINC000055167084 214281904 /nfs/dbraw/zinc/28/19/04/214281904.db2.gz RYKZIULFRKYKLN-UHFFFAOYSA-N 2 1 331.460 2.194 50 0 EEAAMP C[N@@H+]1CCO[C@H](CCNC(=O)C2([NH+]3CCCCC3)CCCCC2)C1 ZINC000067885091 215240235 /nfs/dbraw/zinc/24/02/35/215240235.db2.gz OIGZQWBNJNZFIG-QGZVFWFLSA-N 2 1 337.508 2.012 50 0 EEAAMP C[N@H+]1CCO[C@H](CCNC(=O)C2([NH+]3CCCCC3)CCCCC2)C1 ZINC000067885091 215240238 /nfs/dbraw/zinc/24/02/38/215240238.db2.gz OIGZQWBNJNZFIG-QGZVFWFLSA-N 2 1 337.508 2.012 50 0 EEAAMP OCC[C@@H]1CCCC[N@@H+]1CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000244788102 243081262 /nfs/dbraw/zinc/08/12/62/243081262.db2.gz QJKDFGIAOZQXNR-FQEVSTJZSA-N 2 1 331.504 2.041 50 0 EEAAMP OCC[C@@H]1CCCC[N@H+]1CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000244788102 243081265 /nfs/dbraw/zinc/08/12/65/243081265.db2.gz QJKDFGIAOZQXNR-FQEVSTJZSA-N 2 1 331.504 2.041 50 0 EEAAMP CC[N@H+]1C[C@H](c2ccccc2)CC2(CC[NH+](CCC(N)=O)CC2)C1 ZINC000091551050 218021800 /nfs/dbraw/zinc/02/18/00/218021800.db2.gz FKGKOSROZVZLOW-GOSISDBHSA-N 2 1 329.488 2.453 50 0 EEAAMP CCCSc1ncc(C[N@@H+]2CCN(C)C3(CC[NH+](C)CC3)C2)cn1 ZINC000067805685 276020404 /nfs/dbraw/zinc/02/04/04/276020404.db2.gz WLIXNOVELUZVFI-UHFFFAOYSA-N 2 1 349.548 2.191 50 0 EEAAMP CCCSc1ncc(C[N@H+]2CCN(C)C3(CC[NH+](C)CC3)C2)cn1 ZINC000067805685 276020406 /nfs/dbraw/zinc/02/04/06/276020406.db2.gz WLIXNOVELUZVFI-UHFFFAOYSA-N 2 1 349.548 2.191 50 0 EEAAMP C[NH+](C)CCCC(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000091746203 462903144 /nfs/dbraw/zinc/90/31/44/462903144.db2.gz FAKPFZYAJVFOAP-RBUKOAKNSA-N 2 1 329.488 2.451 50 0 EEAAMP CC(C)[NH+]1CCC([N@H+]2CCC[C@H](C(=O)NCc3ccncc3)C2)CC1 ZINC000071682155 463419274 /nfs/dbraw/zinc/41/92/74/463419274.db2.gz SOLSRODEZDNXRC-SFHVURJKSA-N 2 1 344.503 2.283 50 0 EEAAMP COC(=O)c1ccccc1OCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000110713048 463662448 /nfs/dbraw/zinc/66/24/48/463662448.db2.gz RUJVCVFHSMLTAI-NVXWUHKLSA-N 2 1 332.444 2.268 50 0 EEAAMP COC(=O)c1ccccc1OCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000110713048 463662451 /nfs/dbraw/zinc/66/24/51/463662451.db2.gz RUJVCVFHSMLTAI-NVXWUHKLSA-N 2 1 332.444 2.268 50 0 EEAAMP COC(=O)c1ccccc1OCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000110713048 463662453 /nfs/dbraw/zinc/66/24/53/463662453.db2.gz RUJVCVFHSMLTAI-NVXWUHKLSA-N 2 1 332.444 2.268 50 0 EEAAMP Cc1nn(CCO)c(C)c1C[N@H+]1CCCC[C@H]1CCn1cc[nH+]c1C ZINC001506396095 1114595145 /nfs/dbraw/zinc/59/51/45/1114595145.db2.gz HNOMFPKNYZPULI-SFHVURJKSA-N 2 1 345.491 2.442 50 0 EEAAMP Cc1nn(CCO)c(C)c1C[N@@H+]1CCCC[C@H]1CCn1cc[nH+]c1C ZINC001506396095 1114595149 /nfs/dbraw/zinc/59/51/49/1114595149.db2.gz HNOMFPKNYZPULI-SFHVURJKSA-N 2 1 345.491 2.442 50 0 EEAAMP Cc1ccccc1C[N@H+]1CC[C@H](CNC(=O)CC2=CC[NH2+]CC2)C1 ZINC000067673076 215176737 /nfs/dbraw/zinc/17/67/37/215176737.db2.gz DXMMOAXDIRDZFT-GOSISDBHSA-N 2 1 327.472 2.243 50 0 EEAAMP C[NH2+]C(C)(C)C(=O)NC[C@H]1CC[N@@H+](Cc2cc3ccccc3o2)C1 ZINC000067983013 215266364 /nfs/dbraw/zinc/26/63/64/215266364.db2.gz OIEBWJZZEPIYFV-CQSZACIVSA-N 2 1 329.444 2.369 50 0 EEAAMP Cc1ccc2[nH]c(C[N@H+](C)CCCC[NH+]3CCOCC3)cc(=O)c2c1 ZINC000091594822 218027711 /nfs/dbraw/zinc/02/77/11/218027711.db2.gz CSHUUNMXGFCDNL-UHFFFAOYSA-N 2 1 343.471 2.381 50 0 EEAAMP Cc1ccc2[nH]c(C[N@@H+](C)CCCC[NH+]3CCOCC3)cc(=O)c2c1 ZINC000091594822 218027714 /nfs/dbraw/zinc/02/77/14/218027714.db2.gz CSHUUNMXGFCDNL-UHFFFAOYSA-N 2 1 343.471 2.381 50 0 EEAAMP Cc1[nH+]ccn1CCN(C)C(=O)c1ccc([C@H]2CCC[NH2+]C2)cc1 ZINC000095367567 218300182 /nfs/dbraw/zinc/30/01/82/218300182.db2.gz NCDPVIGIAWFBAJ-SFHVURJKSA-N 2 1 326.444 2.431 50 0 EEAAMP Cc1c[nH+]ccc1N1CCN(C(=O)CC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000095386065 218318165 /nfs/dbraw/zinc/31/81/65/218318165.db2.gz PAWQKAOFBAYAIY-KRWDZBQOSA-N 2 1 330.476 2.161 50 0 EEAAMP C[N@H+]1C[C@@]2(C)CN(c3cc(C4CC[NH2+]CC4)ncn3)C[C@@](C)(C1)C2 ZINC000067973968 463075230 /nfs/dbraw/zinc/07/52/30/463075230.db2.gz DXZKCWKBYOQYFM-KDURUIRLSA-N 2 1 329.492 2.112 50 0 EEAAMP CC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000095527409 463105354 /nfs/dbraw/zinc/10/53/54/463105354.db2.gz KGPJGFHYZGWFFP-KRWDZBQOSA-N 2 1 335.467 2.448 50 0 EEAAMP CC(C)c1cc(CNC(=O)[C@H]2CCC[N@@H+](C3CC[NH+](C)CC3)C2)on1 ZINC000015066434 1226502665 /nfs/dbraw/zinc/50/26/65/1226502665.db2.gz KEDDRHADSHTIEB-HNNXBMFYSA-N 2 1 348.491 2.220 50 0 EEAAMP CC(C)c1cc(CNC(=O)[C@H]2CCC[N@H+](C3CC[NH+](C)CC3)C2)on1 ZINC000015066434 1226502668 /nfs/dbraw/zinc/50/26/68/1226502668.db2.gz KEDDRHADSHTIEB-HNNXBMFYSA-N 2 1 348.491 2.220 50 0 EEAAMP Cc1ccc(C)c(CCNC(=O)[C@@H]2CC3(C[N@@H+]2C)CC[NH2+]CC3)c1 ZINC000072409335 216201367 /nfs/dbraw/zinc/20/13/67/216201367.db2.gz FOKNAYUIKGURQO-SFHVURJKSA-N 2 1 329.488 2.036 50 0 EEAAMP C[C@H]1CCCC[N@H+]1C1CN(C(=O)c2cc(F)ccc2OCCC[NH3+])C1 ZINC000299800739 258103963 /nfs/dbraw/zinc/10/39/63/258103963.db2.gz IOKQFZOPEZPQJC-AWEZNQCLSA-N 2 1 349.450 2.252 50 0 EEAAMP COc1c[nH]c(C[N@@H+]2CCCC[C@H]2CCn2cc[nH+]c2C)cc1=O ZINC000077471765 462990564 /nfs/dbraw/zinc/99/05/64/462990564.db2.gz XQEIEMIBRUNAGK-INIZCTEOSA-N 2 1 330.432 2.333 50 0 EEAAMP COc1c[nH]c(C[N@H+]2CCCC[C@H]2CCn2cc[nH+]c2C)cc1=O ZINC000077471765 462990566 /nfs/dbraw/zinc/99/05/66/462990566.db2.gz XQEIEMIBRUNAGK-INIZCTEOSA-N 2 1 330.432 2.333 50 0 EEAAMP Cc1cc(N2CCN(C(=O)CC[N@@H+]3CCC[C@@H](C)C3)CC2)cc(C)[nH+]1 ZINC000020997873 463031675 /nfs/dbraw/zinc/03/16/75/463031675.db2.gz UDWDGNXSSGMVTL-MRXNPFEDSA-N 2 1 344.503 2.469 50 0 EEAAMP CC[N@@H+](C)Cc1ccc(OC)c(OC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000095508656 463099403 /nfs/dbraw/zinc/09/94/03/463099403.db2.gz KFPYJFJXQOLASJ-QGZVFWFLSA-N 2 1 336.476 2.373 50 0 EEAAMP Cc1ccc([C@H](O)C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1C ZINC000106842815 463541793 /nfs/dbraw/zinc/54/17/93/463541793.db2.gz TWNPZRUJXIKJFW-FXAWDEMLSA-N 2 1 334.504 2.361 50 0 EEAAMP Cc1cc(-n2cccn2)ccc1C[N@H+]1CCOC2(CC[NH2+]CC2)C1 ZINC000825145650 800316478 /nfs/dbraw/zinc/31/64/78/800316478.db2.gz MHQUOOFVBXYQTD-UHFFFAOYSA-N 2 1 326.444 2.135 50 0 EEAAMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(OCC(=O)N3CCCC3)cc2)CC1 ZINC000097674111 219046332 /nfs/dbraw/zinc/04/63/32/219046332.db2.gz GYEMGPGUPHGDEO-KRWDZBQOSA-N 2 1 331.460 2.001 50 0 EEAAMP O=C(C[N@@H+]1CCc2ccccc2C1)N1CCCC2(CC[NH2+]CC2)CC1 ZINC000067740931 215198916 /nfs/dbraw/zinc/19/89/16/215198916.db2.gz XHXXESVFELADHJ-UHFFFAOYSA-N 2 1 341.499 2.427 50 0 EEAAMP O=C(C[N@H+]1CCc2ccccc2C1)N1CCCC2(CC[NH2+]CC2)CC1 ZINC000067740931 215198920 /nfs/dbraw/zinc/19/89/20/215198920.db2.gz XHXXESVFELADHJ-UHFFFAOYSA-N 2 1 341.499 2.427 50 0 EEAAMP Cc1cc(N2CCC[N@@H+](Cc3ccc(OCCO)cc3)CC2)cc[nH+]1 ZINC000072164800 216053847 /nfs/dbraw/zinc/05/38/47/216053847.db2.gz IXAXEFNCSOVJSD-UHFFFAOYSA-N 2 1 341.455 2.473 50 0 EEAAMP CCN(Cc1ccc(OC)cc1)C(=O)[C@@H]1CC2(C[N@H+]1C)CC[NH2+]CC2 ZINC000072427965 216218961 /nfs/dbraw/zinc/21/89/61/216218961.db2.gz SBPUGODDJRPSAB-SFHVURJKSA-N 2 1 345.487 2.118 50 0 EEAAMP C[NH+](C)Cc1csc(CN2CCC([N@H+]3CCC[C@@H](O)C3)CC2)c1 ZINC000072434207 216229441 /nfs/dbraw/zinc/22/94/41/216229441.db2.gz IOKVJCRHBFROOZ-QGZVFWFLSA-N 2 1 337.533 2.231 50 0 EEAAMP C[NH+]1CCC(C)(C[N@@H+]2CCN(CCc3ccccc3)C(=O)C2)CC1 ZINC000215951580 241155728 /nfs/dbraw/zinc/15/57/28/241155728.db2.gz QMWIWOBKPGOLQK-UHFFFAOYSA-N 2 1 329.488 2.105 50 0 EEAAMP C[NH+]1CCC(C)(C[N@H+]2CCN(CCc3ccccc3)C(=O)C2)CC1 ZINC000215951580 241155735 /nfs/dbraw/zinc/15/57/35/241155735.db2.gz QMWIWOBKPGOLQK-UHFFFAOYSA-N 2 1 329.488 2.105 50 0 EEAAMP C[NH+]1CCC(C(=O)NCC[N@H+]2CCC[C@@H](c3ccccc3)C2)CC1 ZINC000097515078 219032462 /nfs/dbraw/zinc/03/24/62/219032462.db2.gz WIFATAHWKLOWQZ-LJQANCHMSA-N 2 1 329.488 2.324 50 0 EEAAMP Cn1cc([C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)[C@H]2C[C@H](O)C2)cn1 ZINC000222985724 279349178 /nfs/dbraw/zinc/34/91/78/279349178.db2.gz QIWKZJIJEPPETA-MDASCCDHSA-N 2 1 332.492 2.229 50 0 EEAAMP C[NH+]1CCN(C(=O)CC[C@H]2CCC[N@@H+](C3CCSCC3)C2)CC1 ZINC000014974398 462937041 /nfs/dbraw/zinc/93/70/41/462937041.db2.gz BNHPCSLCFTZJHN-MRXNPFEDSA-N 2 1 339.549 2.148 50 0 EEAAMP C[NH+]1CCN(C(=O)CC[C@H]2CCC[N@H+](C3CCSCC3)C2)CC1 ZINC000014974398 462937047 /nfs/dbraw/zinc/93/70/47/462937047.db2.gz BNHPCSLCFTZJHN-MRXNPFEDSA-N 2 1 339.549 2.148 50 0 EEAAMP Cc1[nH+]ccn1CCCC(=O)N(C)C[C@H]1Cc2ccccc2C[N@@H+]1C ZINC000082086556 463512551 /nfs/dbraw/zinc/51/25/51/463512551.db2.gz STIVTTABGLVCBI-LJQANCHMSA-N 2 1 340.471 2.487 50 0 EEAAMP Cc1[nH+]ccn1CCCC(=O)N(C)C[C@H]1Cc2ccccc2C[N@H+]1C ZINC000082086556 463512557 /nfs/dbraw/zinc/51/25/57/463512557.db2.gz STIVTTABGLVCBI-LJQANCHMSA-N 2 1 340.471 2.487 50 0 EEAAMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccccc2OCC(=O)N2CCCC2)C1 ZINC000108428481 463603795 /nfs/dbraw/zinc/60/37/95/463603795.db2.gz XWTMWCKNASWIFO-QGZVFWFLSA-N 2 1 345.487 2.119 50 0 EEAAMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccccc2OCC(=O)N2CCCC2)C1 ZINC000108428481 463603799 /nfs/dbraw/zinc/60/37/99/463603799.db2.gz XWTMWCKNASWIFO-QGZVFWFLSA-N 2 1 345.487 2.119 50 0 EEAAMP Cc1[nH+]ccn1CCCNC(=O)C1(c2ccccc2)CC[NH+](C)CC1 ZINC000670473520 485656917 /nfs/dbraw/zinc/65/69/17/485656917.db2.gz XHLYKEKHXHHVQZ-UHFFFAOYSA-N 2 1 340.471 2.361 50 0 EEAAMP Cc1cc2c(cn1)CN(C(=O)[C@@H]1CCC[N@H+](C3CCN(C)CC3)C1)C2 ZINC000299783418 685337927 /nfs/dbraw/zinc/33/79/27/685337927.db2.gz ZDZMSQLOSDZJNG-MRXNPFEDSA-N 2 1 342.487 2.038 50 0 EEAAMP Cc1cc2c(cn1)CN(C(=O)[C@@H]1CCC[N@@H+](C3CC[NH+](C)CC3)C1)C2 ZINC000299783418 685337935 /nfs/dbraw/zinc/33/79/35/685337935.db2.gz ZDZMSQLOSDZJNG-MRXNPFEDSA-N 2 1 342.487 2.038 50 0 EEAAMP Cc1cc2c(cn1)CN(C(=O)[C@@H]1CCC[N@H+](C3CC[NH+](C)CC3)C1)C2 ZINC000299783418 685337939 /nfs/dbraw/zinc/33/79/39/685337939.db2.gz ZDZMSQLOSDZJNG-MRXNPFEDSA-N 2 1 342.487 2.038 50 0 EEAAMP Cc1ncc2c(c1-c1noc(C[C@@H]3CCCC[N@@H+]3C)n1)CC[NH2+]C2 ZINC000020233775 1229491094 /nfs/dbraw/zinc/49/10/94/1229491094.db2.gz OPEDJWAHJCOOJE-AWEZNQCLSA-N 2 1 327.432 2.113 50 0 EEAAMP OC[C@@H]1CCCC[N@H+]1CCNC1CC[NH+](CCc2ccccc2)CC1 ZINC000828711033 800806207 /nfs/dbraw/zinc/80/62/07/800806207.db2.gz ZVLLXYUZFXUCJE-NRFANRHFSA-N 2 1 345.531 2.130 50 0 EEAAMP COCC[N@@H+]1CCC[C@@]2(CCN(c3nc(N(C)C)[nH+]c(C)c3C)C2)C1 ZINC000072149390 216037120 /nfs/dbraw/zinc/03/71/20/216037120.db2.gz MZGLTNQQAFPGJS-LJQANCHMSA-N 2 1 347.507 2.098 50 0 EEAAMP COCC[N@H+]1CCC[C@@]2(CCN(c3nc(N(C)C)[nH+]c(C)c3C)C2)C1 ZINC000072149390 216037122 /nfs/dbraw/zinc/03/71/22/216037122.db2.gz MZGLTNQQAFPGJS-LJQANCHMSA-N 2 1 347.507 2.098 50 0 EEAAMP Cn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(Sc2nncn2C)o1 ZINC000216267702 241176979 /nfs/dbraw/zinc/17/69/79/241176979.db2.gz VRZFTAHTKCUUAQ-UHFFFAOYSA-N 2 1 346.460 2.357 50 0 EEAAMP Cn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(Sc2nncn2C)o1 ZINC000216267702 241176988 /nfs/dbraw/zinc/17/69/88/241176988.db2.gz VRZFTAHTKCUUAQ-UHFFFAOYSA-N 2 1 346.460 2.357 50 0 EEAAMP CCc1[nH+]ccn1CCCNC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000426359086 241262837 /nfs/dbraw/zinc/26/28/37/241262837.db2.gz PMNBWSFFZMAXKD-INIZCTEOSA-N 2 1 333.480 2.105 50 0 EEAAMP CC[N@@H+](C)C1(CNc2cc(C3CC([NH3+])C3)nc(N)n2)CCCCC1 ZINC000219311953 241376955 /nfs/dbraw/zinc/37/69/55/241376955.db2.gz NQTVHZHXZBTBLP-UHFFFAOYSA-N 2 1 332.496 2.330 50 0 EEAAMP C[NH+](C)[C@H](C(=O)N1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1 ZINC000095388575 218320156 /nfs/dbraw/zinc/32/01/56/218320156.db2.gz SXGPUBGAFAROBG-SFHVURJKSA-N 2 1 342.418 2.172 50 0 EEAAMP [NH3+][C@@H]1CCN(C(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)o2)C1 ZINC000534643528 468269137 /nfs/dbraw/zinc/26/91/37/468269137.db2.gz ABRPJNSBFNAGMJ-MRXNPFEDSA-N 2 1 325.412 2.011 50 0 EEAAMP [NH3+][C@@H]1CCN(C(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)o2)C1 ZINC000534643528 468269143 /nfs/dbraw/zinc/26/91/43/468269143.db2.gz ABRPJNSBFNAGMJ-MRXNPFEDSA-N 2 1 325.412 2.011 50 0 EEAAMP C[C@@H](C[NH+]1CCCC1)NC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000534660167 468272004 /nfs/dbraw/zinc/27/20/04/468272004.db2.gz WKZSHUPOBDXFSV-SFHVURJKSA-N 2 1 344.503 2.041 50 0 EEAAMP CC(C)c1ccc(C[N@H+]2C[C@H](CO)[C@H](CN3CC[NH+](C)CC3)C2)cc1 ZINC000091380866 462876876 /nfs/dbraw/zinc/87/68/76/462876876.db2.gz NQKOACKNVHPICZ-NHCUHLMSSA-N 2 1 345.531 2.098 50 0 EEAAMP CCCn1ccnc1C[NH+]1CCC2(CC1)c1ccccc1[C@@H]([NH3+])[C@@H]2O ZINC000072134344 1253445549 /nfs/dbraw/zinc/44/55/49/1253445549.db2.gz MMAYSNBRAAEQCE-MOPGFXCFSA-N 2 1 340.471 2.201 50 0 EEAAMP CC[NH+]1CCC([NH2+]C[C@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000003354070 210016441 /nfs/dbraw/zinc/01/64/41/210016441.db2.gz PDGPWZUBCVIKIT-KRWDZBQOSA-N 2 1 326.868 2.291 50 0 EEAAMP C[NH2+]C(C)(C)C(=O)NC[C@@H]1CC[N@@H+](Cc2cc3ccccc3o2)C1 ZINC000067983012 215267567 /nfs/dbraw/zinc/26/75/67/215267567.db2.gz OIEBWJZZEPIYFV-AWEZNQCLSA-N 2 1 329.444 2.369 50 0 EEAAMP CC(C)[N@H+]1CCN(C2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1CCO ZINC000020906181 212186142 /nfs/dbraw/zinc/18/61/42/212186142.db2.gz WREKYLGYGWVVRH-NRFANRHFSA-N 2 1 345.531 2.428 50 0 EEAAMP Cc1[nH+]ccn1CC1CCN(c2cc([C@H]3C[C@H]([NH3+])C3)nc(C)n2)CC1 ZINC000244828637 243089266 /nfs/dbraw/zinc/08/92/66/243089266.db2.gz TZWUGIMWZGJKPB-QAQDUYKDSA-N 2 1 340.475 2.411 50 0 EEAAMP CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](Cc2ncc[nH]2)CC1 ZINC000012316389 211345107 /nfs/dbraw/zinc/34/51/07/211345107.db2.gz OHJACFQFLCJHNE-KRWDZBQOSA-N 2 1 347.507 2.002 50 0 EEAAMP CC[N@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](Cc2ncc[nH]2)CC1 ZINC000012316389 211345110 /nfs/dbraw/zinc/34/51/10/211345110.db2.gz OHJACFQFLCJHNE-KRWDZBQOSA-N 2 1 347.507 2.002 50 0 EEAAMP CC[N@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)C[NH2+]C)CC2)C1 ZINC000091694322 218049591 /nfs/dbraw/zinc/04/95/91/218049591.db2.gz UKHQQJWGZZZGJN-GOSISDBHSA-N 2 1 329.488 2.324 50 0 EEAAMP Fc1ccc([C@@H]2C[N@H+](C3CC[NH2+]CC3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095370842 218304140 /nfs/dbraw/zinc/30/41/40/218304140.db2.gz PHTJMGJEMSLQDQ-XUVXKRRUSA-N 2 1 329.463 2.440 50 0 EEAAMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)CCC2CC[NH+](C)CC2)cc1 ZINC000952974442 796117056 /nfs/dbraw/zinc/11/70/56/796117056.db2.gz ZEODWBSIGMQMGI-UHFFFAOYSA-N 2 1 346.475 2.247 50 0 EEAAMP C[NH+]1CCC([N@H+]2C[C@@H](Cc3ccnc4ccccc34)[C@H](O)C2)CC1 ZINC001529119461 1121324747 /nfs/dbraw/zinc/32/47/47/1121324747.db2.gz HZLGQPBDVJOZQP-OXQOHEQNSA-N 2 1 325.456 2.164 50 0 EEAAMP C[NH+]1CCC([N@@H+]2C[C@@H](Cc3ccnc4ccccc34)[C@H](O)C2)CC1 ZINC001529119461 1121324758 /nfs/dbraw/zinc/32/47/58/1121324758.db2.gz HZLGQPBDVJOZQP-OXQOHEQNSA-N 2 1 325.456 2.164 50 0 EEAAMP Cc1c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c(=O)n(-c2ccccc2)n1C ZINC000067866787 215235185 /nfs/dbraw/zinc/23/51/85/215235185.db2.gz CETIQKJQMXVUNR-UHFFFAOYSA-N 2 1 340.471 2.060 50 0 EEAAMP CCn1nc(CO)c2c1CC[N@H+](C[C@@H]1CCC[NH+]3CCCC[C@H]13)C2 ZINC000072121640 216014283 /nfs/dbraw/zinc/01/42/83/216014283.db2.gz QEPOHJDPXIDCNK-MAUKXSAKSA-N 2 1 332.492 2.018 50 0 EEAAMP CCn1nc(CO)c2c1CC[N@@H+](C[C@@H]1CCC[NH+]3CCCC[C@H]13)C2 ZINC000072121640 216014285 /nfs/dbraw/zinc/01/42/85/216014285.db2.gz QEPOHJDPXIDCNK-MAUKXSAKSA-N 2 1 332.492 2.018 50 0 EEAAMP CCn1nc(CO)c2c1CC[NH+](C[C@@H]1CCC[N@@H+]3CCCC[C@H]13)C2 ZINC000072121640 216014286 /nfs/dbraw/zinc/01/42/86/216014286.db2.gz QEPOHJDPXIDCNK-MAUKXSAKSA-N 2 1 332.492 2.018 50 0 EEAAMP CCn1nc(CO)c2c1CC[NH+](C[C@@H]1CCC[N@H+]3CCCC[C@H]13)C2 ZINC000072121640 216014288 /nfs/dbraw/zinc/01/42/88/216014288.db2.gz QEPOHJDPXIDCNK-MAUKXSAKSA-N 2 1 332.492 2.018 50 0 EEAAMP Cc1ccc(C)c(CCNC(=O)[C@H]2CC3(C[N@@H+]2C)CC[NH2+]CC3)c1 ZINC000072409336 216201610 /nfs/dbraw/zinc/20/16/10/216201610.db2.gz FOKNAYUIKGURQO-GOSISDBHSA-N 2 1 329.488 2.036 50 0 EEAAMP CCC[N@H+]1CC2(C[C@@H]1C(=O)NCc1c(C)noc1C)CC[NH+](C)CC2 ZINC000072427847 216218523 /nfs/dbraw/zinc/21/85/23/216218523.db2.gz CHEIQOAJGIIORA-QGZVFWFLSA-N 2 1 348.491 2.104 50 0 EEAAMP C[NH+](C)Cc1csc(CN2CCC([N@H+]3CCC[C@H](O)C3)CC2)c1 ZINC000072434206 216228971 /nfs/dbraw/zinc/22/89/71/216228971.db2.gz IOKVJCRHBFROOZ-KRWDZBQOSA-N 2 1 337.533 2.231 50 0 EEAAMP Cc1[nH+]ccn1CCN(C)c1cc([C@H]2C[C@H]([NH3+])C2)nc(C2CC2)n1 ZINC000244874990 243095224 /nfs/dbraw/zinc/09/52/24/243095224.db2.gz XKPYKPFBXNTOHH-SHTZXODSSA-N 2 1 326.448 2.200 50 0 EEAAMP CCc1ccc(C[NH2+][C@@H]2c3ccccc3C3(CC[NH2+]CC3)[C@H]2O)nc1 ZINC000072133481 276668248 /nfs/dbraw/zinc/66/82/48/276668248.db2.gz JVBVQXFIHIHSMX-UXHICEINSA-N 2 1 337.467 2.471 50 0 EEAAMP Cc1ccc(NC(=O)CC[NH2+]C[C@]2(O)CCC[N@H+]3CCCC[C@@H]32)cc1 ZINC000063883328 462680257 /nfs/dbraw/zinc/68/02/57/462680257.db2.gz HUHYBEKRPQOPGM-UYAOXDASSA-N 2 1 345.487 2.293 50 0 EEAAMP COc1ccc(/C=C/C[NH+]2CCN(c3cc(C)[nH+]c(N)n3)CC2)cc1 ZINC000065421641 462769074 /nfs/dbraw/zinc/76/90/74/462769074.db2.gz NHRAXHPTIRPQGV-ONEGZZNKSA-N 2 1 339.443 2.211 50 0 EEAAMP c1cncc(CN2CC[NH+](C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC2)c1 ZINC000299793245 685349085 /nfs/dbraw/zinc/34/90/85/685349085.db2.gz HNZQTZKILNRRAU-VQTJNVASSA-N 2 1 328.504 2.464 50 0 EEAAMP c1cncc(CN2CC[NH+](C[C@@H]3CCC[N@H+]4CCCC[C@H]34)CC2)c1 ZINC000299793245 685349091 /nfs/dbraw/zinc/34/90/91/685349091.db2.gz HNZQTZKILNRRAU-VQTJNVASSA-N 2 1 328.504 2.464 50 0 EEAAMP C[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)NCCc3ccccc3)C2)CC1 ZINC000067754312 215202777 /nfs/dbraw/zinc/20/27/77/215202777.db2.gz INUVFTLIHNFMKU-GOSISDBHSA-N 2 1 329.488 2.152 50 0 EEAAMP C[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)NCCc3ccccc3)C2)CC1 ZINC000067754312 215202781 /nfs/dbraw/zinc/20/27/81/215202781.db2.gz INUVFTLIHNFMKU-GOSISDBHSA-N 2 1 329.488 2.152 50 0 EEAAMP COCC[NH+]1CCC(C[N@H+](Cc2cccnc2)C[C@@H]2CCCO2)CC1 ZINC000011821532 211252780 /nfs/dbraw/zinc/25/27/80/211252780.db2.gz OETWLOCQMGSJDK-FQEVSTJZSA-N 2 1 347.503 2.421 50 0 EEAAMP CC(C)([NH3+])C(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](CCCc1ccccc1)C2 ZINC000091793808 218067952 /nfs/dbraw/zinc/06/79/52/218067952.db2.gz SIUXFBLTFNDDLP-ZWKOTPCHSA-N 2 1 329.488 2.279 50 0 EEAAMP Cc1cccc([C@@H](C(=O)N2CCN(c3cc[nH+]cc3)CC2)[NH+](C)C)c1 ZINC000095364411 218296398 /nfs/dbraw/zinc/29/63/98/218296398.db2.gz GROQYDPDICKKSB-IBGZPJMESA-N 2 1 338.455 2.342 50 0 EEAAMP Cn1cc[nH+]c1CCC[N@H+](C)C[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000299772847 258084865 /nfs/dbraw/zinc/08/48/65/258084865.db2.gz BIGFFLPFFOKQTA-INIZCTEOSA-N 2 1 326.444 2.338 50 0 EEAAMP Cn1cc[nH+]c1CCC[N@@H+](C)C[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000299772847 258084867 /nfs/dbraw/zinc/08/48/67/258084867.db2.gz BIGFFLPFFOKQTA-INIZCTEOSA-N 2 1 326.444 2.338 50 0 EEAAMP CC[C@@H]([NH3+])C(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000130285291 323328692 /nfs/dbraw/zinc/32/86/92/323328692.db2.gz XOBUDYHQDJUNIW-OAHLLOKOSA-N 2 1 343.393 2.477 50 0 EEAAMP CC[C@@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000130285291 323328697 /nfs/dbraw/zinc/32/86/97/323328697.db2.gz XOBUDYHQDJUNIW-OAHLLOKOSA-N 2 1 343.393 2.477 50 0 EEAAMP CCc1[nH+]ccn1CCNc1cc([C@H]2C[C@@H]([NH3+])C2)nc(C2CC2)n1 ZINC000223915840 485533476 /nfs/dbraw/zinc/53/34/76/485533476.db2.gz NCFJZZJOYCAMPD-HDJSIYSDSA-N 2 1 326.448 2.430 50 0 EEAAMP CCC[N@H+]1CC2(C[C@H]1C(=O)NCc1ccncc1C)CC[NH+](C)CC2 ZINC000072412391 216205216 /nfs/dbraw/zinc/20/52/16/216205216.db2.gz XBPDSJGTXAKLTQ-SFHVURJKSA-N 2 1 344.503 2.203 50 0 EEAAMP COc1ccccc1-c1ncc(C[NH2+]C[C@]2(O)CCC[NH2+]C2)s1 ZINC000072481387 216261247 /nfs/dbraw/zinc/26/12/47/216261247.db2.gz IUUWWQNDHMVJQQ-KRWDZBQOSA-N 2 1 333.457 2.023 50 0 EEAAMP C[C@H](C[NH+]1CCCC1)NC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000534660166 468272375 /nfs/dbraw/zinc/27/23/75/468272375.db2.gz WKZSHUPOBDXFSV-GOSISDBHSA-N 2 1 344.503 2.041 50 0 EEAAMP CC[NH+]1CCN(C(=O)C2CC[NH+](Cc3cccc(OC)c3)CC2)CC1 ZINC000000299601 462554024 /nfs/dbraw/zinc/55/40/24/462554024.db2.gz DEMKTVPESBUQOV-UHFFFAOYSA-N 2 1 345.487 2.071 50 0 EEAAMP COc1ccc(C[NH2+]C[C@]2(O)CCC[N@@H+]3CCCC[C@@H]32)cc1OC ZINC000063832807 462676542 /nfs/dbraw/zinc/67/65/42/462676542.db2.gz DWNGHSDQKDGZMH-RTBURBONSA-N 2 1 334.460 2.173 50 0 EEAAMP COc1ccc(C[NH2+]C[C@]2(O)CCC[N@H+]3CCCC[C@@H]32)cc1OC ZINC000063832807 462676547 /nfs/dbraw/zinc/67/65/47/462676547.db2.gz DWNGHSDQKDGZMH-RTBURBONSA-N 2 1 334.460 2.173 50 0 EEAAMP Cc1ccc2[nH]c(C[N@@H+](C)CC3CC[NH+](CCO)CC3)cc(=O)c2c1 ZINC000092028007 462921268 /nfs/dbraw/zinc/92/12/68/462921268.db2.gz JWDOXULRTUHHRF-UHFFFAOYSA-N 2 1 343.471 2.385 50 0 EEAAMP [NH3+][C@H](Cc1ccccc1)c1nnc(N2CCC([NH+]3CCCC3)CC2)o1 ZINC001772701765 1179284906 /nfs/dbraw/zinc/28/49/06/1179284906.db2.gz ONUVXGNPWAYXIA-QGZVFWFLSA-N 2 1 341.459 2.377 50 0 EEAAMP Cc1ncc2c(c1CNC(=O)[C@@H](C)n1cc[nH+]c1C(C)C)CC[NH2+]C2 ZINC000072479452 216258620 /nfs/dbraw/zinc/25/86/20/216258620.db2.gz UDCAOEDCTCUDPK-CQSZACIVSA-N 2 1 341.459 2.233 50 0 EEAAMP CO[C@H]1CC[N@H+](Cc2ccc(OCCC[NH+]3CCOCC3)cc2)C1 ZINC000215879217 241153045 /nfs/dbraw/zinc/15/30/45/241153045.db2.gz UQDWUUJAEGCABT-IBGZPJMESA-N 2 1 334.460 2.008 50 0 EEAAMP CO[C@H]1CC[N@@H+](Cc2ccc(OCCC[NH+]3CCOCC3)cc2)C1 ZINC000215879217 241153058 /nfs/dbraw/zinc/15/30/58/241153058.db2.gz UQDWUUJAEGCABT-IBGZPJMESA-N 2 1 334.460 2.008 50 0 EEAAMP COCCC[NH+]1CCC2(CC1)CC[N@@H+](Cc1ccco1)C[C@H]2CO ZINC000097307508 219011027 /nfs/dbraw/zinc/01/10/27/219011027.db2.gz MEVQOTIQVXVEMO-KRWDZBQOSA-N 2 1 336.476 2.213 50 0 EEAAMP COc1cccc(C)c1NC(=O)N1CCC[N@H+](C)C2(CC[NH2+]CC2)C1 ZINC000097601061 219040287 /nfs/dbraw/zinc/04/02/87/219040287.db2.gz ZNJSAASSCDGZBQ-UHFFFAOYSA-N 2 1 346.475 2.295 50 0 EEAAMP COc1cccc(C)c1NC(=O)N1CCC[N@@H+](C)C2(CC[NH2+]CC2)C1 ZINC000097601061 219040290 /nfs/dbraw/zinc/04/02/90/219040290.db2.gz ZNJSAASSCDGZBQ-UHFFFAOYSA-N 2 1 346.475 2.295 50 0 EEAAMP O=C1NCC2(CC[NH+](C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)O1 ZINC000299792523 258098007 /nfs/dbraw/zinc/09/80/07/258098007.db2.gz FXMWELCZPHXASH-KRWDZBQOSA-N 2 1 329.444 2.083 50 0 EEAAMP